INFO : Successfully started log file 'model.loop_uber.log' ________________________________________________________________________________ Nova Protein structure prediction by fragment assembly (Ver. 0.6.6) ________________________________________________________________________________ INFO : Printing configuration for program 'nova' INFO : Configuration file '/bmm/www/servers/phyre2/bin/loop_uber.config' ________________________________________________________________________________ [Query Input] FASTA_FILE = /bmm/www/servers/phyre2/public_html/phyre2_output/f9dd3da541140801/input.fasta PSSM_FILE = /bmm/www/servers/phyre2/public_html/phyre2_output/f9dd3da541140801/assembler.pssm MODEL_START_LIST = model_start.list BUILD_INITIAL_REFERENCE = 0 BUILD_UP_MAX_MODELS = 1 ________________________________________________________________________________ [Energy Functions] PP_STUB = /bmm/www/servers/phyre2/bin/assembler_data/default.pp SP_STUB = /bmm/www/servers/phyre2/bin/assembler_data/default.sp BBDEP_LIBRARY_THRESHOLD = 0.9 RADIUS_OF_GYRATION_THRESHOLD = 2 RADIUS_OF_GYRATION_ABSOLUTE = 0 CBCB_CONTACT_DIST = 7.5 CONTACT_GAP = 5 MAXSUB_DIST = 6 MAXSUB_ITER = 1 RMSD_DIST = 6 HBOND_SEPARATION = 5 RESIDUE_PROB_CUT_OFF = 0.2 PP_RESIDUE_PROB_CUT_OFF = 0.4 MAX_CALIBRATE_ENERGY = 500 CUTOFF_PHI_PSI = 0.001 TORSION_BILINEAR = 1 LJ_SWITCH_RATIO = 0.7 ENERGY_SET_MODE = 0 NUMBER_OF_ENERGY_SETS = 1 ________________________________________________________________________________ [Energy Set 1] T_LIMIT = 0 WEIGHT_PAIR_POTENTIAL = 0.215 WEIGHT_SOLVATION_POTENTIAL = 1 WEIGHT_STERIC_ENERGY = 5.03 WEIGHT_RADIUS_OF_GYRATION = 2.83 WEIGHT_TORSION_ENERGY = 1.14 WEIGHT_HBONDS_ORIENT = 5.27 STERIC_CLASH = 1 PAIR_SEPARATION_MIN = 3 SS_METHOD = 0 ENERGY_SCALE_FACTOR = 0 ________________________________________________________________________________ PROB_REFINE_HELIX = 1 PROB_REFINE_SHEET = 1 PROB_REFINE_COIL = 1 ________________________________________________________________________________ PROB_SHEAR_STRAND_C = 0 PROB_PHI_PSI_TWIST_C = 0 PROB_PHI_PSI_TILT_C = 0 PROB_TEMPLATE_SPLICE_C = 0 PROB_FRAG_9_C = 0 PROB_FRAG_3_C = 1 PROB_GUNN_COST_9_C = 0 PROB_GUNN_COST_3_C = 0 PROB_STABILISE_TWIST_C = 0 PROB_STABILISE_TILT_C = 0 PROB_STABILISE_TEMPLATE_C = 0 PROB_STABILISE_FRAG_9_C = 0 PROB_STABILISE_FRAG_3_C = 0 PROB_STABILISE_GUNN_9_C = 0 PROB_STABILISE_GUNN_3_C = 0 ________________________________________________________________________________ FULL_ATOM_MODEL = 0 ________________________________________________________________________________ [Model Building] MAX_MODELS = 1000 MAX_BUILD_ITERATIONS = 100 MAX_JOIN_ITERATIONS = 5 MAX_JOIN_REFINE_ITERATIONS = 5 MAX_REFINE_ITERATIONS = 5 MAX_SPLICE_ITERATIONS = 5 SHEAR_STRAND_DISTANCE = 3.8 PHI_PSI_TWIST_LENGTH = 3 PHI_PSI_TWIST_RANGE = 5 PHI_PSI_TILT_LENGTH = 5 PHI_PSI_TILT_RANGE = 15 STABILISE_SIZE = 5 STABILISE_RESTRICT = 1 STABILISE_ITERATIONS = 3 STABILISE_BREAK_THRESHOLD = 1 STABILISE_HELIX = 0 STABILISE_STRAND = 1 STABILISE_MAX_ANGLE_UPDATE = 15 STABILISE_UPDATE_FRACTION = 1 SHEAR_LOOP_SIZE = 8 SHEAR_LOOP_COIL_SIZE = 5 SHEAR_MAX_CCD_ITERATIONS = 300 SHEAR_CCD_THRESHOLD = 0.3 SHEAR_CCD_NC_THRESHOLD = 0.1 SHEAR_CCD_RESTRICT = 0 SHEAR_MAX_ANGLE_UPDATE = 15 SHEAR_MAX_UPDATE_FRACTION = 1 REPACK_FREQUENCY = 25 REPACK_RANDOM = 2 REPACK_THRESHOLD = 0.7 GUNN_COST_UPPER = 0.03 GUNN_COST_LOWER = 11.4701 MAX_MSD_DEVIATION = 16 RESEED_RESTRICTION_INTERVAL = 0 RANDOM_LIST_L = 0 RANDOM_LIST_9 = 0 RANDOM_LIST_3 = 0 RANDOM_LIST_TEMPLATE = 0 RANDOM_BUILD = 0 ________________________________________________________________________________ [Simulated Annealing] T_START_TEMP = 10 T_END_TEMP = 0 CALIBRATION_SEED = 0 T_CALIBRATION_FACTOR = 10 ENERGY_CALIBRATION_FACTOR = 4 MAX_CALIBRATE_START = 500 T_CALIBRATION_FACTOR = 10 T_REDUCE_FACTOR_EXP = 0.5 T_REDUCE_FACTOR_STEPS = 50 RATIO_EXP_TO_LINEAR_SWITCH = 1 MIN_TEMP_THRESHOLD = 0 MAX_TEMP_ITER = 1000 MAX_TEMP_REFINE = 100 MAX_STOP_ITER = 30000 MAX_STOP_REFINE = 2000 DELTA_ROLL_SIZE = 0 DELTA_STOP_THRESHOLD = 0 MAX_QUENCH = 5000 NO_TEMPLATE_RATIO = 0.2 ________________________________________________________________________________ [Loop Modelling] MODEL_LOOPS = 1 LOOP_DATABASE = /bmm/www/servers/phyre2/bin/loopdb MIN_LOOP_SIZE = 2 MAX_LOOP_SIZE = 15 POSITIONAL_GAPS = 1 TRIM_BACK = 1 TRIM_BACK_STERIC_CHECKS = 1 MAX_TRIM_RES = 5 MAX_TRIM_EDGE = 3 TRIM_BACK_GOODNESS = 1 SIZE_TRIM_BACK_AV = 0 MAX_SELECT_LOOPS = 500 TOLERANCE = 0.75 RMSD_WEIGHT = 80.5 RMSD_BENCHMARK = 0 FIT_ON_TRIANGLE = 0 CHECK_STERIC_CLASH = 1 CHECK_STERIC_ENERGY = 0 STERIC_ENERGY_THRESHOLD = 0.5 ABINITIO_LOOPS = 0 ABINITIO_ENDS = 0 ABINITIO_TRIM_COUNT = 0 MAX_LOOP_MODELS = 1000 CCD_LOOP_CLOSURE_TOLERANCE = 6 CCD_FAILURE_TOLERANCE = 0 LOOP_SELECTION_TOLERANCE = 9 MAX_CCD_LOOPS = 20 CCD_DIRECTION = 1 CCD_CLOSURE_RMSD = 0.08 CCD_CLOSURE_NC_DEVIATION = 0.1 CCD_MAX_ITER = 5000 CCD_RESTRICT = 1 CCD_MAX_ANGLE_UPDATE = 15 CCD_MAX_UPDATE_FRACTION = 1 MAX_COMBINE_LOOPS = 10 START_T = 2 STEPS_PER_LOOP = 100 REPLACE_TRIMMED = 1 KNOT_FIND = 1 ________________________________________________________________________________ [Logging] LOG_LEVEL = 1 LOG_TIME = 0 LOG_FILE = 0 LOG_FILE_NAME = model.loop_uber.log FOLDING_PATH = 0 OUTPUT_DIR = loop USE_COMPRESSION = 0 FIT_ON_PREVIOUS = 0 USAGE_FILE = nova.model_usage MODEL_START_NO = 1 MODEL_END_NO = 0 OUTPUT_FREQUENCY = 100 UNWEIGHTED_OUTPUT = 0 SPLICE_INFO = 1 SPLICE_FILE = nova.splice_info FRAGVAR_INFO = 0 BAD_FRAG_DIR = nova_bad REFINE_RRG_LIMIT = 0 STOP_FILE = assembler.stop OUTPUT_LOOPS = 0 ________________________________________________________________________________ [Benchmark] BACKBONE_RMSD = 0 OUTPUT_RMSD = 0 OUTPUT_MAXSUB = 0 REFINE_STATS_FREQUENCY = 0 REFINE_STATS_MAX = 20 REFINE_TIME_FREQUENCY = 0 REFINE_TIME_MAX = 5000 MAXSUB_DIST = 6 MAXSUB_ITER = 0 ________________________________________________________________________________ INFO : Reading FASTA sequence file INFO : Reading query PSSM file INFO : Reading Pair-potential file INFO : Reading Solvation-potential file INFO : Reading PDB list file 'model_start.list' INFO : Successfully read 0 PDBs INFO : Successfully read 1 / 1 PDBs from list file 'model_start.list' INFO : Initialising build models routine INFO : Energy Set 1 - C cumul prob_shear_strand = 0.000000 INFO : Energy Set 1 - C cumul prob_phi_psi_twist = 0.000000 INFO : Energy Set 1 - C cumul prob_phi_psi_tilt = 0.000000 INFO : Energy Set 1 - C cumul prob_template_splice = 0.000000 INFO : Energy Set 1 - C cumul prob_frag_9 = 0.000000 INFO : Energy Set 1 - C cumul prob_frag_3 = 1.000000 INFO : Energy Set 1 - C cumul prob_gunn_cost_9 = 1.000000 INFO : Energy Set 1 - C cumul prob_gunn_cost_3 = 1.000000 ________________________________________________________________________________ INFO : Entering build loops routine ________________________________________________________________________________ INFO : Processing starting model 1 - c5xczA_.1.pdb ________________________________________________________________________________ INFO : Performing trim back WARN : Positional gap in chain between position 67 and 74 INFO : Chain break between residues 67 - 74 INFO : Trim Back 67 - 74 : Calculating loop extraction success INFO : Trim Back 67 - 74 : Extraction identifed 0 loops INFO : Trim Back 67 - 75 : Calculating loop extraction success INFO : Trim Back 67 - 75 : Extraction identifed 2 loops INFO : Trim Back 67 - 76 : Calculating loop extraction success INFO : Trim Back 67 - 76 : Extraction identifed 0 loops INFO : Trim Back 67 - 77 : Calculating loop extraction success INFO : Trim Back 67 - 77 : Extraction identifed 0 loops INFO : Trim Back 66 - 74 : Calculating loop extraction success INFO : Trim Back 66 - 74 : Extraction identifed 0 loops INFO : Trim Back 66 - 75 : Calculating loop extraction success INFO : Trim Back 66 - 75 : Extraction identifed 271 loops INFO : Trim Back 66 - 76 : Calculating loop extraction success INFO : Trim Back 66 - 76 : Extraction identifed 147 loops INFO : Trim Back 66 - 77 : Calculating loop extraction success INFO : Trim Back 66 - 77 : Extraction identifed 8 loops INFO : Trim Back 65 - 74 : Calculating loop extraction success INFO : Trim Back 65 - 74 : Extraction identifed 0 loops INFO : Trim Back 65 - 75 : Calculating loop extraction success INFO : Trim Back 65 - 75 : Extraction identifed 756 loops INFO : Trim Back 65 - 76 : Calculating loop extraction success INFO : Trim Back 65 - 76 : Extraction identifed 152 loops INFO : Trim Back 65 - 77 : Calculating loop extraction success INFO : Trim Back 65 - 77 : Extraction identifed 29 loops INFO : Trim Back 64 - 74 : Calculating loop extraction success INFO : Trim Back 64 - 74 : Extraction identifed 0 loops INFO : Trim Back 64 - 75 : Calculating loop extraction success INFO : Trim Back 64 - 75 : Extraction identifed 226 loops INFO : Trim Back 64 - 76 : Calculating loop extraction success INFO : Trim Back 64 - 76 : Extraction identifed 212 loops INFO : Trim back to residues 65 - 75 ________________________________________________________________________________ INFO : Modelling loops ________________________________________________________________________________ INFO : Gap size 10 between position 65 and 75 : Seq = 'NIPKGPPTFDA' INFO : Stem parameters: x = 6.70; y = 1.31; beta = 1.81; gamma = -0.98 INFO : Searching loop database file '/bmm/www/servers/phyre2/bin/loopdb/6/1/size.10.b' INFO : Searching loop database file '/bmm/www/servers/phyre2/bin/loopdb/6/2/size.10.b' INFO : Searching loop database file '/bmm/www/servers/phyre2/bin/loopdb/7/1/size.10.b' INFO : Searching loop database file '/bmm/www/servers/phyre2/bin/loopdb/7/2/size.10.b' INFO : Identified 5748 potential loops INFO : Ranking by goodness INFO : Extracting 1 / 1151 from database INFO : Extracting 21 / 1151 from database INFO : Extracting 41 / 1151 from database INFO : Extracting 61 / 1151 from database INFO : Extracting 81 / 1151 from database INFO : Extracting 101 / 1151 from database INFO : Extracting 121 / 1151 from database INFO : Extracting 141 / 1151 from database INFO : Extracting 161 / 1151 from database INFO : Extracting 181 / 1151 from database INFO : Extracting 201 / 1151 from database INFO : Extracting 221 / 1151 from database INFO : Extracting 241 / 1151 from database INFO : Extracting 261 / 1151 from database INFO : Extracting 281 / 1151 from database INFO : Extracting 301 / 1151 from database INFO : Extracting 321 / 1151 from database INFO : Extracting 341 / 1151 from database INFO : Extracting 361 / 1151 from database INFO : Extracting 381 / 1151 from database INFO : Extracting 401 / 1151 from database INFO : Extracting 421 / 1151 from database INFO : Extracting 441 / 1151 from database INFO : Extracting 461 / 1151 from database INFO : Extracting 481 / 1151 from database INFO : Extracting 501 / 1151 from database INFO : Extracting 521 / 1151 from database INFO : Extracting 541 / 1151 from database INFO : Extracting 561 / 1151 from database INFO : Extracting 581 / 1151 from database INFO : Extracting 601 / 1151 from database INFO : Extracting 621 / 1151 from database INFO : Extracting 641 / 1151 from database INFO : Extracting 661 / 1151 from database INFO : Extracting 681 / 1151 from database INFO : Extracting 701 / 1151 from database INFO : Extracting 721 / 1151 from database INFO : Extracting 741 / 1151 from database INFO : Extracting 761 / 1151 from database INFO : Extracting 781 / 1151 from database INFO : Extracting 801 / 1151 from database INFO : Extracting 821 / 1151 from database INFO : Extracting 841 / 1151 from database INFO : Extracting 861 / 1151 from database INFO : Extracting 881 / 1151 from database INFO : Extracting 901 / 1151 from database INFO : Extracting 921 / 1151 from database INFO : Extracting 941 / 1151 from database INFO : Extracting 961 / 1151 from database INFO : Extracting 981 / 1151 from database INFO : Extracting 1001 / 1151 from database INFO : Extracting 1021 / 1151 from database INFO : Extracting 1041 / 1151 from database INFO : Extracting 1061 / 1151 from database INFO : Extracting 1081 / 1151 from database INFO : Extracting 1101 / 1151 from database INFO : Extracting 1121 / 1151 from database INFO : Extracting 1141 / 1151 from database INFO : Ranking by loop score INFO : Rank Score = Seq - 80.50 * rms^2 (goodness) : Target seq = NIPKGPPTFDA INFO : 1 1.360 = 6.000 - 80.50 * 0.240^2 ( 0.803) : RVIREGPSYAL : Loop ID = 196 : 1V9NA.pdb.bin ( 76 - 86) INFO : 2 1.201 = 4.000 - 80.50 * 0.186^2 ( 1.048) : NILSEGNHFGV : Loop ID = 400 : 2A5ZA.pdb.bin ( 53 - 63) INFO : 3 0.678 = 4.000 - 80.50 * 0.203^2 ( 0.520) : EVFDTPPVGPH : Loop ID = 35 : 2BSWA.pdb.bin ( 124 - 134) INFO : 4 -0.234 = 1.000 - 80.50 * 0.124^2 ( 1.133) : YMTSVAPQYGM : Loop ID = 490 : 1QNIA.pdb.bin ( 480 - 490) INFO : 5 -0.825 = 0.000 - 80.50 * 0.101^2 ( 0.232) : KFEKGAGEGAV : Loop ID = 1 : 1MMA_.pdb.bin ( 345 - 355) INFO : 6 -1.967 = 4.000 - 80.50 * 0.272^2 ( 1.910) : EVVAATPTSLL : Loop ID = 1001 : 1FNA_.pdb.bin ( 3 - 13) INFO : 7 -2.197 = 1.000 - 80.50 * 0.199^2 ( 0.555) : KIYKSTEGYYT : Loop ID = 54 : 254L_.pdb.bin ( 15 - 25) INFO : 8 -2.213 = 1.000 - 80.50 * 0.200^2 ( 0.788) : KIYKNTEGYYT : Loop ID = 179 : 255L_.pdb.bin ( 15 - 25) INFO : 9 -2.412 = 1.000 - 80.50 * 0.206^2 ( 0.819) : KIYKDTEGYYS : Loop ID = 204 : 131L_.pdb.bin ( 15 - 25) INFO : 10 -2.570 = 0.000 - 80.50 * 0.179^2 ( 0.607) : KIYKDTEGYYT : Loop ID = 78 : 220L_.pdb.bin ( 15 - 25) INFO : 11 -2.573 = 0.000 - 80.50 * 0.179^2 ( 0.843) : KFEKGAGEGAV : Loop ID = 222 : 1JX2A.pdb.bin ( 345 - 355) INFO : 12 -2.703 = 1.000 - 80.50 * 0.214^2 ( 0.714) : KIYKATEGYYT : Loop ID = 133 : 253L_.pdb.bin ( 15 - 25) INFO : 13 -2.854 = 0.000 - 80.50 * 0.188^2 ( 0.470) : KIYKDTEGYYT : Loop ID = 27 : 1SSYA.pdb.bin ( 15 - 25) INFO : 14 -2.871 = 0.000 - 80.50 * 0.189^2 ( 0.459) : KIYKDTEGYYT : Loop ID = 25 : 172L_.pdb.bin ( 15 - 25) INFO : 15 -2.888 = 0.000 - 80.50 * 0.189^2 ( 0.552) : KIYKDTEGYYT : Loop ID = 51 : 1CUPA.pdb.bin ( 15 - 25) INFO : 16 -2.938 = 0.000 - 80.50 * 0.191^2 ( 0.871) : KIYKDTEGYYT : Loop ID = 248 : 200L_.pdb.bin ( 15 - 25) INFO : 17 -3.014 = 0.000 - 80.50 * 0.193^2 ( 0.561) : KFEKGAGEGAV : Loop ID = 58 : 1LVK_.pdb.bin ( 353 - 363) INFO : 18 -3.043 = 0.000 - 80.50 * 0.194^2 ( 0.869) : KIYKDTEGYYT : Loop ID = 245 : 247L_.pdb.bin ( 15 - 25) INFO : 19 -3.072 = 0.000 - 80.50 * 0.195^2 ( 0.718) : KIYKDTEGYYT : Loop ID = 135 : 1CU0A.pdb.bin ( 15 - 25) INFO : 20 -3.081 = 0.000 - 80.50 * 0.196^2 ( 0.876) : KIYKDTEGYYT : Loop ID = 253 : 1P2LA.pdb.bin ( 15 - 25) INFO : 21 -3.118 = 0.000 - 80.50 * 0.197^2 ( 0.776) : KIYKDTEGYYT : Loop ID = 173 : 1L0KA.pdb.bin ( 15 - 25) INFO : 22 -3.119 = 0.000 - 80.50 * 0.197^2 ( 0.537) : KIYKDTEGYYT : Loop ID = 44 : 1PQOA.pdb.bin ( 15 - 25) INFO : 23 -3.197 = 0.000 - 80.50 * 0.199^2 ( 0.866) : KIYKDTEGYYT : Loop ID = 242 : 1LPYA.pdb.bin ( 13 - 23) INFO : 24 -3.243 = 0.000 - 80.50 * 0.201^2 ( 0.600) : KIYKDTEGYYT : Loop ID = 73 : 244L_.pdb.bin ( 15 - 25) INFO : 25 -3.249 = 0.000 - 80.50 * 0.201^2 ( 0.700) : KIYKDTEGYYT : Loop ID = 121 : 163L_.pdb.bin ( 15 - 25) INFO : 26 -3.264 = 0.000 - 80.50 * 0.201^2 ( 0.629) : KIYKDTEGYYT : Loop ID = 93 : 1T6HA.pdb.bin ( 15 - 25) INFO : 27 -3.306 = 0.000 - 80.50 * 0.203^2 ( 1.104) : KIYKDTEGYYT : Loop ID = 464 : 1CU5A.pdb.bin ( 15 - 25) INFO : 28 -3.316 = 0.000 - 80.50 * 0.203^2 ( 0.776) : KIYKDTEGYYT : Loop ID = 172 : 1P64A.pdb.bin ( 15 - 25) INFO : 29 -3.324 = 0.000 - 80.50 * 0.203^2 ( 0.800) : KIYKDTEGYYT : Loop ID = 191 : 1SX7A.pdb.bin ( 15 - 25) INFO : 30 -3.325 = 0.000 - 80.50 * 0.203^2 ( 0.613) : KIYKDTEGYYT : Loop ID = 82 : 1L0JA.pdb.bin ( 15 - 25) INFO : 31 -3.330 = 0.000 - 80.50 * 0.203^2 ( 0.862) : KIYKDTEGYYT : Loop ID = 237 : 237L_.pdb.bin ( 15 - 25) INFO : 32 -3.330 = 0.000 - 80.50 * 0.203^2 ( 0.655) : KIYKDTEGYYT : Loop ID = 106 : 1LW9A.pdb.bin ( 15 - 25) INFO : 33 -3.336 = 0.000 - 80.50 * 0.204^2 ( 1.184) : KIYKDTEGYYT : Loop ID = 546 : 1L79_.pdb.bin ( 15 - 25) INFO : 34 -3.360 = 0.000 - 80.50 * 0.204^2 ( 0.850) : KIYKDTEGYYT : Loop ID = 223 : 146L_.pdb.bin ( 15 - 25) INFO : 35 -3.391 = 0.000 - 80.50 * 0.205^2 ( 0.859) : KIYKDTEGYYT : Loop ID = 233 : 1PQMA.pdb.bin ( 15 - 25) INFO : 36 -3.413 = 0.000 - 80.50 * 0.206^2 ( 0.614) : KIYKDTEGYYT : Loop ID = 83 : 1CU2A.pdb.bin ( 15 - 25) INFO : 37 -3.419 = 0.000 - 80.50 * 0.206^2 ( 0.709) : KIYKDTEGYYT : Loop ID = 127 : 199L_.pdb.bin ( 15 - 25) INFO : 38 -3.422 = 0.000 - 80.50 * 0.206^2 ( 0.852) : KIYKDTEGYYT : Loop ID = 226 : 161L_.pdb.bin ( 15 - 25) INFO : 39 -3.425 = 0.000 - 80.50 * 0.206^2 ( 0.749) : KIYKDTEGYYT : Loop ID = 153 : 1KW7A.pdb.bin ( 15 - 25) INFO : 40 -3.430 = 0.000 - 80.50 * 0.206^2 ( 1.028) : KIYKDTEGYYT : Loop ID = 381 : 1D2YA.pdb.bin ( 15 - 25) INFO : 41 -3.434 = 0.000 - 80.50 * 0.207^2 ( 0.842) : KIYKDTEGYYT : Loop ID = 221 : 1QSBA.pdb.bin ( 15 - 25) INFO : 42 -3.434 = 0.000 - 80.50 * 0.207^2 ( 0.930) : KIYKDTEGYYT : Loop ID = 299 : 141L_.pdb.bin ( 15 - 25) INFO : 43 -3.454 = 0.000 - 80.50 * 0.207^2 ( 0.870) : KIYKDTEGYYT : Loop ID = 247 : 1CV6A.pdb.bin ( 15 - 25) INFO : 44 -3.475 = 0.000 - 80.50 * 0.208^2 ( 0.864) : KIYKDTEGYYT : Loop ID = 239 : 1P37A.pdb.bin ( 15 - 25) INFO : 45 -3.497 = 0.000 - 80.50 * 0.208^2 ( 0.618) : KIYKDTEGYYT : Loop ID = 84 : 156L_.pdb.bin ( 15 - 25) INFO : 46 -3.511 = 0.000 - 80.50 * 0.209^2 ( 0.705) : KIYKDTEGYYT : Loop ID = 126 : 249L_.pdb.bin ( 15 - 25) INFO : 47 -3.532 = 0.000 - 80.50 * 0.209^2 ( 0.891) : KIYKDTEGYYT : Loop ID = 263 : 1QS5A.pdb.bin ( 15 - 25) INFO : 48 -3.534 = 0.000 - 80.50 * 0.210^2 ( 0.774) : KIYKDTEGYYT : Loop ID = 169 : 1C69A.pdb.bin ( 15 - 25) INFO : 49 -3.537 = 0.000 - 80.50 * 0.210^2 ( 0.970) : KIYKDTEGYYT : Loop ID = 336 : 1P36A.pdb.bin ( 15 - 25) INFO : 50 -3.542 = 0.000 - 80.50 * 0.210^2 ( 0.906) : KIYKDTEGYYT : Loop ID = 283 : 243L_.pdb.bin ( 15 - 25) INFO : 51 -3.545 = 0.000 - 80.50 * 0.210^2 ( 1.101) : KIYKDTEGYYT : Loop ID = 458 : 229L_.pdb.bin ( 15 - 25) INFO : 52 -3.549 = 0.000 - 80.50 * 0.210^2 ( 0.969) : KIYKDTEGYYT : Loop ID = 335 : 245L_.pdb.bin ( 15 - 25) INFO : 53 -3.556 = 0.000 - 80.50 * 0.210^2 ( 0.854) : KIYKDTEGYYT : Loop ID = 228 : 1G0GA.pdb.bin ( 15 - 25) INFO : 54 -3.572 = 0.000 - 80.50 * 0.211^2 ( 1.131) : KIYKDTEGYYT : Loop ID = 486 : 127L_.pdb.bin ( 15 - 25) INFO : 55 -3.574 = 0.000 - 80.50 * 0.211^2 ( 0.698) : KIYKDTEGYYT : Loop ID = 120 : 1P7SA.pdb.bin ( 15 - 25) INFO : 56 -3.590 = 0.000 - 80.50 * 0.211^2 ( 1.054) : KIYKDTEGYYT : Loop ID = 406 : 228L_.pdb.bin ( 15 - 25) INFO : 57 -3.590 = 0.000 - 80.50 * 0.211^2 ( 0.906) : KIYKDTEGYYT : Loop ID = 282 : 2L78_.pdb.bin ( 15 - 25) INFO : 58 -3.592 = 0.000 - 80.50 * 0.211^2 ( 0.984) : KIYKDTEGYYT : Loop ID = 346 : 1G0LA.pdb.bin ( 15 - 25) INFO : 59 -3.595 = 0.000 - 80.50 * 0.211^2 ( 1.194) : KIYKDTEGYYT : Loop ID = 558 : 195L_.pdb.bin ( 15 - 25) INFO : 60 -3.608 = 0.000 - 80.50 * 0.212^2 ( 0.840) : KIYKDTEGYYT : Loop ID = 219 : 1QT6A.pdb.bin ( 15 - 25) INFO : 61 -3.617 = 0.000 - 80.50 * 0.212^2 ( 0.870) : KIYKDTEGYYT : Loop ID = 246 : 1L96_.pdb.bin ( 15 - 25) INFO : 62 -3.633 = 0.000 - 80.50 * 0.212^2 ( 0.891) : KIYKDTEGYYT : Loop ID = 266 : 1G06A.pdb.bin ( 15 - 25) INFO : 63 -3.654 = 0.000 - 80.50 * 0.213^2 ( 0.932) : KIYKDTEGYYT : Loop ID = 303 : 1L77_.pdb.bin ( 15 - 25) INFO : 64 -3.658 = 0.000 - 80.50 * 0.213^2 ( 0.901) : KIYKDTEGYYT : Loop ID = 276 : 1L51_.pdb.bin ( 15 - 25) INFO : 65 -3.659 = 0.000 - 80.50 * 0.213^2 ( 1.019) : KIYKDTEGYYT : Loop ID = 373 : 242L_.pdb.bin ( 15 - 25) INFO : 66 -3.668 = 0.000 - 80.50 * 0.213^2 ( 0.728) : KIYKDTEGYYT : Loop ID = 144 : 1CU3A.pdb.bin ( 15 - 25) INFO : 67 -3.668 = 0.000 - 80.50 * 0.213^2 ( 0.514) : KIYKDTEGYYT : Loop ID = 33 : 1PQKA.pdb.bin ( 15 - 25) INFO : 68 -3.685 = 0.000 - 80.50 * 0.214^2 ( 1.104) : KIYKDTEGYYT : Loop ID = 465 : 234L_.pdb.bin ( 15 - 25) INFO : 69 -3.688 = 0.000 - 80.50 * 0.214^2 ( 0.852) : KIYKDTEGYYT : Loop ID = 227 : 1CV0A.pdb.bin ( 15 - 25) INFO : 70 -3.691 = 0.000 - 80.50 * 0.214^2 ( 1.060) : KIYKDTEGYYT : Loop ID = 415 : 1P46A.pdb.bin ( 15 - 25) INFO : 71 -3.695 = 0.000 - 80.50 * 0.214^2 ( 1.020) : KIYKDTEGYYT : Loop ID = 374 : 144L_.pdb.bin ( 15 - 25) INFO : 72 -3.703 = 0.000 - 80.50 * 0.214^2 ( 0.969) : KIYKDTEGYYT : Loop ID = 334 : 143L_.pdb.bin ( 15 - 25) INFO : 73 -3.717 = 0.000 - 80.50 * 0.215^2 ( 0.951) : KIYKDTEGYYT : Loop ID = 319 : 1P3NA.pdb.bin ( 15 - 25) INFO : 74 -3.720 = 0.000 - 80.50 * 0.215^2 ( 1.037) : KIYKDTEGYYT : Loop ID = 391 : 1CV1A.pdb.bin ( 15 - 25) INFO : 75 -3.728 = 2.000 - 80.50 * 0.267^2 ( 1.925) : ELTKSPAGAWQ : Loop ID = 1005 : 1SJ2A.pdb.bin ( 318 - 328) INFO : 76 -3.730 = 0.000 - 80.50 * 0.215^2 ( 0.925) : EIYKDTEGYYT : Loop ID = 296 : 1L42_.pdb.bin ( 15 - 25) INFO : 77 -3.735 = 0.000 - 80.50 * 0.215^2 ( 0.919) : KIYKDTEGYYT : Loop ID = 291 : 246L_.pdb.bin ( 15 - 25) INFO : 78 -3.737 = 0.000 - 80.50 * 0.215^2 ( 1.171) : KIYKDTEGYYT : Loop ID = 535 : 1LYJ_.pdb.bin ( 15 - 25) INFO : 79 -3.740 = 0.000 - 80.50 * 0.216^2 ( 0.990) : KIYKDTEGYYT : Loop ID = 351 : 236L_.pdb.bin ( 15 - 25) INFO : 80 -3.742 = 0.000 - 80.50 * 0.216^2 ( 0.855) : KIYKDTEGYYT : Loop ID = 229 : 1L66_.pdb.bin ( 15 - 25) INFO : 81 -3.743 = 0.000 - 80.50 * 0.216^2 ( 1.025) : KIYKDTEGYYT : Loop ID = 377 : 1G0PA.pdb.bin ( 15 - 25) INFO : 82 -3.750 = 0.000 - 80.50 * 0.216^2 ( 1.299) : KIYKDTEGYYT : Loop ID = 650 : 198L_.pdb.bin ( 15 - 25) INFO : 83 -3.751 = 0.000 - 80.50 * 0.216^2 ( 0.733) : KIYKDTEGYYT : Loop ID = 147 : 129L_.pdb.bin ( 15 - 25) INFO : 84 -3.752 = 0.000 - 80.50 * 0.216^2 ( 0.883) : KIYKDTEGYYT : Loop ID = 258 : 1L36_.pdb.bin ( 15 - 25) INFO : 85 -3.762 = 0.000 - 80.50 * 0.216^2 ( 0.930) : KIYKDTEGYYT : Loop ID = 300 : 1L30_.pdb.bin ( 15 - 25) INFO : 86 -3.764 = 0.000 - 80.50 * 0.216^2 ( 0.937) : KIYKDTEGYYT : Loop ID = 307 : 256L_.pdb.bin ( 15 - 25) INFO : 87 -3.778 = 0.000 - 80.50 * 0.217^2 ( 1.663) : KIYKDTEGYYT : Loop ID = 882 : 197L_.pdb.bin ( 15 - 25) INFO : 88 -3.779 = 0.000 - 80.50 * 0.217^2 ( 0.963) : KIYKDTEGYYT : Loop ID = 331 : 1L35_.pdb.bin ( 15 - 25) INFO : 89 -3.788 = 0.000 - 80.50 * 0.217^2 ( 1.022) : KIYKDTEGYYT : Loop ID = 375 : 1L31_.pdb.bin ( 15 - 25) INFO : 90 -3.788 = 0.000 - 80.50 * 0.217^2 ( 0.816) : KIYKDTEGYYT : Loop ID = 202 : 159L_.pdb.bin ( 15 - 25) INFO : 91 -3.792 = 2.000 - 80.50 * 0.268^2 ( 1.147) : EPEKGPGGAWQ : Loop ID = 503 : 1ITKA.pdb.bin ( 307 - 317) INFO : 92 -3.797 = 0.000 - 80.50 * 0.217^2 ( 0.891) : KIYKDTEGYYT : Loop ID = 262 : 1QS9A.pdb.bin ( 15 - 25) INFO : 93 -3.805 = 0.000 - 80.50 * 0.217^2 ( 0.819) : KIYKDTEGYYT : Loop ID = 203 : 250L_.pdb.bin ( 15 - 25) INFO : 94 -3.811 = 0.000 - 80.50 * 0.218^2 ( 1.409) : KIYKDTEGYYT : Loop ID = 749 : 1L81_.pdb.bin ( 15 - 25) INFO : 95 -3.811 = 0.000 - 80.50 * 0.218^2 ( 1.063) : KIYKDTEGYYT : Loop ID = 420 : 1L55_.pdb.bin ( 15 - 25) INFO : 96 -3.812 = 0.000 - 80.50 * 0.218^2 ( 0.951) : KIYKDTEGYYT : Loop ID = 322 : 1KW5A.pdb.bin ( 15 - 25) INFO : 97 -3.821 = 0.000 - 80.50 * 0.218^2 ( 1.211) : KIYKDTEGYYT : Loop ID = 572 : 1L11_.pdb.bin ( 15 - 25) INFO : 98 -3.828 = 0.000 - 80.50 * 0.218^2 ( 1.309) : KIYKDTEGYYT : Loop ID = 657 : 1D3FA.pdb.bin ( 15 - 25) INFO : 99 -3.837 = 0.000 - 80.50 * 0.218^2 ( 0.858) : KFEKGAGEGAV : Loop ID = 232 : 1VOM_.pdb.bin ( 352 - 362) INFO : 100 -3.843 = 0.000 - 80.50 * 0.218^2 ( 1.282) : KIYKDTEGYYT : Loop ID = 634 : 1L47_.pdb.bin ( 15 - 25) INFO : 101 -3.847 = 0.000 - 80.50 * 0.219^2 ( 0.951) : KIYKDTEGYYT : Loop ID = 320 : 138L_.pdb.bin ( 15 - 25) INFO : 102 -3.849 = 0.000 - 80.50 * 0.219^2 ( 1.321) : KIYKDTEGYYT : Loop ID = 666 : 147L_.pdb.bin ( 15 - 25) INFO : 103 -3.853 = 0.000 - 80.50 * 0.219^2 ( 1.184) : KIYKDTEGYYT : Loop ID = 545 : 1L13_.pdb.bin ( 15 - 25) INFO : 104 -3.854 = 0.000 - 80.50 * 0.219^2 ( 1.105) : KIYKDTEGYYT : Loop ID = 466 : 1PQDA.pdb.bin ( 15 - 25) INFO : 105 -3.862 = 0.000 - 80.50 * 0.219^2 ( 1.176) : KIYKDTEGYYT : Loop ID = 541 : 1L33_.pdb.bin ( 15 - 25) INFO : 106 -3.862 = 0.000 - 80.50 * 0.219^2 ( 0.762) : KIYKDTEGYYT : Loop ID = 161 : 1QTCA.pdb.bin ( 15 - 25) INFO : 107 -3.864 = 0.000 - 80.50 * 0.219^2 ( 1.137) : KIYKDTEGYYT : Loop ID = 494 : 139L_.pdb.bin ( 15 - 25) INFO : 108 -3.891 = 0.000 - 80.50 * 0.220^2 ( 0.857) : KIYKDTEGYYT : Loop ID = 231 : 230L_.pdb.bin ( 15 - 25) INFO : 109 -3.893 = 0.000 - 80.50 * 0.220^2 ( 0.641) : KIYKDTEGYYT : Loop ID = 100 : 160L_.pdb.bin ( 15 - 25) INFO : 110 -3.909 = 0.000 - 80.50 * 0.220^2 ( 0.930) : KIYKDTEGYYT : Loop ID = 301 : 1XEPA.pdb.bin ( 15 - 25) INFO : 111 -3.934 = -1.000 - 80.50 * 0.191^2 ( 0.444) : KIYKCTEGYYT : Loop ID = 21 : 1QTZA.pdb.bin ( 15 - 25) INFO : 112 -3.961 = 0.000 - 80.50 * 0.222^2 ( 1.140) : KIYKDTEGYYT : Loop ID = 497 : 1L14_.pdb.bin ( 15 - 25) INFO : 113 -3.961 = 0.000 - 80.50 * 0.222^2 ( 0.820) : KIYKDTEGYYT : Loop ID = 205 : 1QT7A.pdb.bin ( 15 - 25) INFO : 114 -3.963 = 0.000 - 80.50 * 0.222^2 ( 1.138) : KIYKDTEGYYT : Loop ID = 495 : 1L60_.pdb.bin ( 15 - 25) INFO : 115 -3.970 = 0.000 - 80.50 * 0.222^2 ( 1.131) : KIYKDTEGYYT : Loop ID = 488 : 1QUDA.pdb.bin ( 15 - 25) INFO : 116 -3.975 = 0.000 - 80.50 * 0.222^2 ( 1.245) : KIYKDTEGYYT : Loop ID = 603 : 1T8AA.pdb.bin ( 15 - 25) INFO : 117 -3.978 = 0.000 - 80.50 * 0.222^2 ( 0.951) : KIYKDTEGYYT : Loop ID = 321 : 1C66A.pdb.bin ( 15 - 25) INFO : 118 -3.979 = 0.000 - 80.50 * 0.222^2 ( 0.763) : KIYKDTEGYYT : Loop ID = 162 : 1LWGA.pdb.bin ( 15 - 25) INFO : 119 -3.985 = 0.000 - 80.50 * 0.222^2 ( 0.949) : KIYKDTEGYYT : Loop ID = 316 : 1CV4A.pdb.bin ( 15 - 25) INFO : 120 -4.006 = 0.000 - 80.50 * 0.223^2 ( 1.095) : KIYKDTEGYYT : Loop ID = 450 : 232L_.pdb.bin ( 15 - 25) INFO : 121 -4.006 = 0.000 - 80.50 * 0.223^2 ( 1.059) : KIYKDTEGYYT : Loop ID = 414 : 1L80_.pdb.bin ( 15 - 25) INFO : 122 -4.008 = 0.000 - 80.50 * 0.223^2 ( 1.054) : KIYKDTEGYYT : Loop ID = 405 : 1L49_.pdb.bin ( 15 - 25) INFO : 123 -4.014 = 0.000 - 80.50 * 0.223^2 ( 1.345) : KIYKDTEGYYT : Loop ID = 691 : 1L61_.pdb.bin ( 15 - 25) INFO : 124 -4.015 = 0.000 - 80.50 * 0.223^2 ( 0.767) : KIYKDTEGYYT : Loop ID = 167 : 1KY0A.pdb.bin ( 15 - 25) INFO : 125 -4.017 = 0.000 - 80.50 * 0.223^2 ( 0.904) : KIYKDTEGYYT : Loop ID = 278 : 1G07A.pdb.bin ( 15 - 25) INFO : 126 -4.020 = 0.000 - 80.50 * 0.223^2 ( 1.207) : KIYKDTEGYYT : Loop ID = 566 : 1L01_.pdb.bin ( 15 - 25) INFO : 127 -4.021 = 0.000 - 80.50 * 0.223^2 ( 0.803) : KIYKDTEGYYT : Loop ID = 193 : 1LYI_.pdb.bin ( 15 - 25) INFO : 128 -4.024 = 0.000 - 80.50 * 0.224^2 ( 0.896) : KIYKDTEGYYT : Loop ID = 268 : 114L_.pdb.bin ( 15 - 25) INFO : 129 -4.029 = 0.000 - 80.50 * 0.224^2 ( 0.686) : KIYKDTEGYYT : Loop ID = 117 : 164L_.pdb.bin ( 15 - 25) INFO : 130 -4.029 = 0.000 - 80.50 * 0.224^2 ( 1.051) : KIYKDTEGYYT : Loop ID = 402 : 240L_.pdb.bin ( 15 - 25) INFO : 131 -4.033 = 0.000 - 80.50 * 0.224^2 ( 1.299) : KIYKDTEGYYT : Loop ID = 649 : 1L02_.pdb.bin ( 15 - 25) INFO : 132 -4.048 = 0.000 - 80.50 * 0.224^2 ( 0.892) : KIYKDTEGYYT : Loop ID = 267 : 107L_.pdb.bin ( 15 - 25) INFO : 133 -4.056 = 0.000 - 80.50 * 0.224^2 ( 1.283) : KIYKDTEGYYT : Loop ID = 635 : 1LLHA.pdb.bin ( 15 - 25) INFO : 134 -4.064 = 0.000 - 80.50 * 0.225^2 ( 1.029) : KIYKDTEGYYT : Loop ID = 382 : 1D2WA.pdb.bin ( 15 - 25) INFO : 135 -4.071 = 0.000 - 80.50 * 0.225^2 ( 1.105) : KIYKDTEGYYT : Loop ID = 467 : 1L07_.pdb.bin ( 15 - 25) INFO : 136 -4.081 = 0.000 - 80.50 * 0.225^2 ( 1.094) : KIYKDTEGYYT : Loop ID = 449 : 122L_.pdb.bin ( 15 - 25) INFO : 137 -4.094 = 0.000 - 80.50 * 0.226^2 ( 0.958) : KIYKDTEGYYT : Loop ID = 329 : 115L_.pdb.bin ( 15 - 25) INFO : 138 -4.097 = 0.000 - 80.50 * 0.226^2 ( 1.326) : KIYKDTEGYYT : Loop ID = 670 : 217L_.pdb.bin ( 15 - 25) INFO : 139 -4.097 = 0.000 - 80.50 * 0.226^2 ( 1.305) : KIYKDTEGYYT : Loop ID = 653 : 1L18_.pdb.bin ( 15 - 25) INFO : 140 -4.102 = 0.000 - 80.50 * 0.226^2 ( 0.911) : KIYKDTEGYYT : Loop ID = 286 : 109L_.pdb.bin ( 15 - 25) INFO : 141 -4.102 = 0.000 - 80.50 * 0.226^2 ( 1.082) : KIYKDTEGYYT : Loop ID = 438 : 1L29_.pdb.bin ( 15 - 25) INFO : 142 -4.108 = 0.000 - 80.50 * 0.226^2 ( 0.996) : KIYKDTEGYYT : Loop ID = 355 : 1L74_.pdb.bin ( 15 - 25) INFO : 143 -4.108 = 0.000 - 80.50 * 0.226^2 ( 1.297) : KIYKDTEGYYT : Loop ID = 645 : 221L_.pdb.bin ( 15 - 25) INFO : 144 -4.128 = 0.000 - 80.50 * 0.226^2 ( 1.106) : KIYKDTEGYYT : Loop ID = 468 : 1LYH_.pdb.bin ( 15 - 25) INFO : 145 -4.129 = 0.000 - 80.50 * 0.226^2 ( 1.674) : KIYKDTEGYYT : Loop ID = 889 : 1L54_.pdb.bin ( 15 - 25) INFO : 146 -4.136 = 0.000 - 80.50 * 0.227^2 ( 1.701) : KIYKDTEGYYT : Loop ID = 906 : 1CX7A.pdb.bin ( 15 - 25) INFO : 147 -4.174 = 0.000 - 80.50 * 0.228^2 ( 1.373) : KIYKDTEGYYT : Loop ID = 715 : 1L10_.pdb.bin ( 15 - 25) INFO : 148 -4.176 = 0.000 - 80.50 * 0.228^2 ( 1.055) : KIYKDTEGYYT : Loop ID = 409 : 3LZM_.pdb.bin ( 15 - 25) INFO : 149 -4.177 = 0.000 - 80.50 * 0.228^2 ( 1.240) : KIYKDTEGYYT : Loop ID = 599 : 1L44_.pdb.bin ( 15 - 25) INFO : 150 -4.191 = 0.000 - 80.50 * 0.228^2 ( 1.060) : KIYKDTEGYYT : Loop ID = 416 : 1L52_.pdb.bin ( 15 - 25) INFO : 151 -4.194 = 0.000 - 80.50 * 0.228^2 ( 1.112) : KIYKDTEGYYT : Loop ID = 475 : 1L06_.pdb.bin ( 15 - 25) INFO : 152 -4.205 = 0.000 - 80.50 * 0.229^2 ( 1.267) : KIYKDTEGYYT : Loop ID = 619 : 126L_.pdb.bin ( 15 - 25) INFO : 153 -4.205 = 0.000 - 80.50 * 0.229^2 ( 1.083) : KIYKDTEGYYT : Loop ID = 440 : 1L16_.pdb.bin ( 15 - 25) INFO : 154 -4.207 = 0.000 - 80.50 * 0.229^2 ( 1.137) : KIYKDTEGYYT : Loop ID = 493 : 142L_.pdb.bin ( 15 - 25) INFO : 155 -4.214 = 0.000 - 80.50 * 0.229^2 ( 1.045) : KIYKDTEGYYT : Loop ID = 399 : 1L48_.pdb.bin ( 15 - 25) INFO : 156 -4.219 = 0.000 - 80.50 * 0.229^2 ( 1.978) : KIYKDTEGYYT : Loop ID = 1031 : 248L_.pdb.bin ( 15 - 25) INFO : 157 -4.232 = 0.000 - 80.50 * 0.229^2 ( 1.271) : KIYKDTEGYYT : Loop ID = 623 : 1CUQA.pdb.bin ( 15 - 25) INFO : 158 -4.246 = 0.000 - 80.50 * 0.230^2 ( 0.993) : KIYKDTEGYYT : Loop ID = 353 : 1G0MA.pdb.bin ( 15 - 25) INFO : 159 -4.248 = 0.000 - 80.50 * 0.230^2 ( 1.081) : KIYKDTEGYYT : Loop ID = 437 : 1G0KA.pdb.bin ( 15 - 25) INFO : 160 -4.267 = 0.000 - 80.50 * 0.230^2 ( 1.193) : KIYKDTEGYYT : Loop ID = 557 : 1L12_.pdb.bin ( 15 - 25) INFO : 161 -4.285 = 0.000 - 80.50 * 0.231^2 ( 1.076) : KIYKDTEGYYT : Loop ID = 434 : 1L85_.pdb.bin ( 15 - 25) INFO : 162 -4.287 = 0.000 - 80.50 * 0.231^2 ( 1.163) : KIYKDTEGYYT : Loop ID = 524 : 1L09_.pdb.bin ( 15 - 25) INFO : 163 -4.288 = 0.000 - 80.50 * 0.231^2 ( 1.167) : KIYKDTEGYYT : Loop ID = 529 : 1L45_.pdb.bin ( 15 - 25) INFO : 164 -4.297 = 0.000 - 80.50 * 0.231^2 ( 1.184) : KIYKDTEGYYT : Loop ID = 547 : 1L15_.pdb.bin ( 15 - 25) INFO : 165 -4.321 = 0.000 - 80.50 * 0.232^2 ( 0.972) : KIYKDTEGYYT : Loop ID = 338 : 1CV5A.pdb.bin ( 15 - 25) INFO : 166 -4.324 = 0.000 - 80.50 * 0.232^2 ( 1.153) : KIYKDTEGYYT : Loop ID = 514 : 1L92_.pdb.bin ( 15 - 25) INFO : 167 -4.324 = 0.000 - 80.50 * 0.232^2 ( 1.038) : KIYKDTEGYYT : Loop ID = 392 : 1L28_.pdb.bin ( 15 - 25) INFO : 168 -4.347 = -1.000 - 80.50 * 0.204^2 ( 0.555) : KIYKDTEGYYQ : Loop ID = 53 : 1QT4A.pdb.bin ( 15 - 25) INFO : 169 -4.366 = 0.000 - 80.50 * 0.233^2 ( 1.075) : KIYKDTEGYYT : Loop ID = 430 : 118L_.pdb.bin ( 15 - 25) INFO : 170 -4.370 = 0.000 - 80.50 * 0.233^2 ( 1.245) : KIYKDTEGYYT : Loop ID = 602 : 1L91_.pdb.bin ( 15 - 25) INFO : 171 -4.373 = 0.000 - 80.50 * 0.233^2 ( 1.409) : KIYKDTEGYYT : Loop ID = 753 : 1L37_.pdb.bin ( 15 - 25) INFO : 172 -4.373 = 0.000 - 80.50 * 0.233^2 ( 1.177) : KIYKDTEGYYT : Loop ID = 542 : 1D3JA.pdb.bin ( 15 - 25) INFO : 173 -4.374 = 0.000 - 80.50 * 0.233^2 ( 1.184) : KIYKDTEGYYT : Loop ID = 548 : 1G0JA.pdb.bin ( 15 - 25) INFO : 174 -4.382 = 4.000 - 80.50 * 0.323^2 ( 1.427) : TVGEVTPTRFC : Loop ID = 762 : 1I8DA.pdb.bin ( 147 - 157) INFO : 175 -4.394 = 0.000 - 80.50 * 0.234^2 ( 1.208) : KIYKDTEGYYT : Loop ID = 568 : 1L22_.pdb.bin ( 15 - 25) INFO : 176 -4.399 = 0.000 - 80.50 * 0.234^2 ( 1.165) : KIYKDTEGYYT : Loop ID = 526 : 1L88_.pdb.bin ( 15 - 25) INFO : 177 -4.408 = 0.000 - 80.50 * 0.234^2 ( 1.146) : KIYKDTEGYYT : Loop ID = 502 : 233L_.pdb.bin ( 15 - 25) INFO : 178 -4.409 = 0.000 - 80.50 * 0.234^2 ( 1.150) : KIYKDTEGYYT : Loop ID = 508 : 1L08_.pdb.bin ( 15 - 25) INFO : 179 -4.413 = 0.000 - 80.50 * 0.234^2 ( 0.726) : KIYKDTEGYYT : Loop ID = 141 : 1L76_.pdb.bin ( 15 - 25) INFO : 180 -4.424 = 0.000 - 80.50 * 0.234^2 ( 1.226) : KIYKDTEGYYT : Loop ID = 587 : 1QUHA.pdb.bin ( 15 - 25) INFO : 181 -4.449 = -2.000 - 80.50 * 0.174^2 ( 0.790) : KIYKDCEGYYT : Loop ID = 180 : 152L_.pdb.bin ( 15 - 25) INFO : 182 -4.460 = 0.000 - 80.50 * 0.235^2 ( 1.259) : KIYKDTEGYYT : Loop ID = 611 : 1L62_.pdb.bin ( 15 - 25) INFO : 183 -4.480 = 0.000 - 80.50 * 0.236^2 ( 1.151) : KIYKDTEGYYT : Loop ID = 512 : 1L58_.pdb.bin ( 15 - 25) INFO : 184 -4.481 = 0.000 - 80.50 * 0.236^2 ( 1.230) : KIYKDTEGYYT : Loop ID = 589 : 1L93_.pdb.bin ( 15 - 25) INFO : 185 -4.482 = 0.000 - 80.50 * 0.236^2 ( 0.838) : KIYKDTEGYYT : Loop ID = 218 : 1LWKA.pdb.bin ( 13 - 23) INFO : 186 -4.483 = 2.000 - 80.50 * 0.284^2 ( 0.974) : QVFEMPTAGAA : Loop ID = 341 : 1JB0D.pdb.bin ( 36 - 46) INFO : 187 -4.485 = -1.000 - 80.50 * 0.208^2 ( 1.626) : KIYKDHEGYYT : Loop ID = 865 : 1EPYA.pdb.bin ( 15 - 25) INFO : 188 -4.487 = 4.000 - 80.50 * 0.325^2 ( 1.583) : ELAIGPEEGIS : Loop ID = 839 : 2AL6A.pdb.bin ( 240 - 250) INFO : 189 -4.488 = 0.000 - 80.50 * 0.236^2 ( 1.276) : KIYKDTEGYYT : Loop ID = 628 : 1L26_.pdb.bin ( 15 - 25) INFO : 190 -4.499 = 0.000 - 80.50 * 0.236^2 ( 1.434) : KIYKDTEGYYT : Loop ID = 768 : 1L20_.pdb.bin ( 15 - 25) INFO : 191 -4.505 = 0.000 - 80.50 * 0.237^2 ( 1.150) : KIYKDTEGYYT : Loop ID = 507 : 108L_.pdb.bin ( 15 - 25) INFO : 192 -4.509 = 0.000 - 80.50 * 0.237^2 ( 1.122) : KIYKDTEGYYT : Loop ID = 485 : 1L19_.pdb.bin ( 15 - 25) INFO : 193 -4.528 = 0.000 - 80.50 * 0.237^2 ( 1.714) : KIYKDTEGYYT : Loop ID = 914 : 1D9WA.pdb.bin ( 15 - 25) INFO : 194 -4.541 = 0.000 - 80.50 * 0.238^2 ( 1.196) : KIYKDTEGYYT : Loop ID = 561 : 1L34_.pdb.bin ( 15 - 25) INFO : 195 -4.552 = 0.000 - 80.50 * 0.238^2 ( 0.900) : KIYKDTEGYYT : Loop ID = 272 : 1L50_.pdb.bin ( 15 - 25) INFO : 196 -4.565 = 0.000 - 80.50 * 0.238^2 ( 1.331) : KIYKDTEGYYT : Loop ID = 673 : 1L04_.pdb.bin ( 15 - 25) INFO : 197 -4.568 = 0.000 - 80.50 * 0.238^2 ( 1.402) : KIYKDTEGYYT : Loop ID = 744 : 1L32_.pdb.bin ( 15 - 25) INFO : 198 -4.590 = 0.000 - 80.50 * 0.239^2 ( 0.978) : KIYKDTEGYYT : Loop ID = 343 : 1I6SA.pdb.bin ( 15 - 25) INFO : 199 -4.592 = 0.000 - 80.50 * 0.239^2 ( 0.957) : KIYKDTEGYYT : Loop ID = 328 : 241L_.pdb.bin ( 15 - 25) INFO : 200 -4.600 = 0.000 - 80.50 * 0.239^2 ( 1.084) : KIYKDTEGYYT : Loop ID = 441 : 1L38_.pdb.bin ( 15 - 25) INFO : 201 -4.617 = 0.000 - 80.50 * 0.239^2 ( 1.331) : KIYKDTEGYYT : Loop ID = 674 : 1L03_.pdb.bin ( 15 - 25) INFO : 202 -4.620 = 0.000 - 80.50 * 0.240^2 ( 1.439) : KIYKDTEGYYT : Loop ID = 771 : 1L23_.pdb.bin ( 15 - 25) INFO : 203 -4.667 = -2.000 - 80.50 * 0.182^2 ( 1.953) : GLDKDASGIYS : Loop ID = 1018 : 1ZKWA.pdb.bin ( 306 - 316) INFO : 204 -4.667 = 0.000 - 80.50 * 0.241^2 ( 1.743) : KIYKDTEGYYT : Loop ID = 928 : 140L_.pdb.bin ( 15 - 25) INFO : 205 -4.672 = 0.000 - 80.50 * 0.241^2 ( 1.174) : KIYKDTEGYYT : Loop ID = 536 : 235L_.pdb.bin ( 15 - 25) INFO : 206 -4.681 = -2.000 - 80.50 * 0.182^2 ( 0.588) : TQLGQPPAPGL : Loop ID = 66 : 1E0CA.pdb.bin ( 51 - 61) INFO : 207 -4.690 = -3.000 - 80.50 * 0.145^2 ( 1.682) : LLKNSKNPKDV : Loop ID = 894 : 1Y4TA.pdb.bin ( 201 - 211) INFO : 208 -4.704 = 0.000 - 80.50 * 0.242^2 ( 1.218) : KIYKDTEGYYT : Loop ID = 581 : 155L_.pdb.bin ( 15 - 25) INFO : 209 -4.706 = 0.000 - 80.50 * 0.242^2 ( 1.287) : KIYKDTEGYYT : Loop ID = 637 : 1CV3A.pdb.bin ( 15 - 25) INFO : 210 -4.722 = 0.000 - 80.50 * 0.242^2 ( 1.265) : KIYKDTEGYYT : Loop ID = 617 : 1L84_.pdb.bin ( 15 - 25) INFO : 211 -4.745 = 0.000 - 80.50 * 0.243^2 ( 1.398) : KIYKDTEGYYT : Loop ID = 739 : 123L_.pdb.bin ( 15 - 25) INFO : 212 -4.758 = 0.000 - 80.50 * 0.243^2 ( 0.920) : KIYKDTEGYYT : Loop ID = 292 : 238L_.pdb.bin ( 15 - 25) INFO : 213 -4.773 = 0.000 - 80.50 * 0.243^2 ( 1.225) : KIYKDTEGYYT : Loop ID = 586 : 119L_.pdb.bin ( 15 - 25) INFO : 214 -4.780 = 0.000 - 80.50 * 0.244^2 ( 1.089) : KIYKDTEGYYT : Loop ID = 446 : 1LYG_.pdb.bin ( 15 - 25) INFO : 215 -4.783 = 0.000 - 80.50 * 0.244^2 ( 1.111) : KIYKDTEGYYT : Loop ID = 473 : 1L27_.pdb.bin ( 15 - 25) INFO : 216 -4.804 = 0.000 - 80.50 * 0.244^2 ( 1.364) : KIYKDTEGYYT : Loop ID = 709 : 1L67_.pdb.bin ( 15 - 25) INFO : 217 -4.831 = 0.000 - 80.50 * 0.245^2 ( 0.951) : KIYKDTEGYYT : Loop ID = 323 : 1QTBA.pdb.bin ( 15 - 25) INFO : 218 -4.832 = 0.000 - 80.50 * 0.245^2 ( 1.575) : KIYKDTEGYYT : Loop ID = 833 : 1KS3A.pdb.bin ( 15 - 25) INFO : 219 -4.835 = 0.000 - 80.50 * 0.245^2 ( 1.407) : KIYKDTEGYYT : Loop ID = 747 : 1L17_.pdb.bin ( 15 - 25) INFO : 220 -4.869 = 0.000 - 80.50 * 0.246^2 ( 1.459) : KIYKDTEGYYT : Loop ID = 782 : 110L_.pdb.bin ( 15 - 25) INFO : 221 -4.873 = 0.000 - 80.50 * 0.246^2 ( 1.216) : KIYKDTEGYYT : Loop ID = 578 : 1L24_.pdb.bin ( 15 - 25) INFO : 222 -4.886 = 0.000 - 80.50 * 0.246^2 ( 1.266) : KIYKDTEGYYT : Loop ID = 618 : 1QUOA.pdb.bin ( 15 - 25) INFO : 223 -4.889 = 1.000 - 80.50 * 0.270^2 ( 1.826) : QIIDVTPSLYT : Loop ID = 971 : 2F1FA.pdb.bin ( 110 - 120) INFO : 224 -4.891 = 0.000 - 80.50 * 0.246^2 ( 1.318) : KIYKDTEGYYT : Loop ID = 665 : 1G0QA.pdb.bin ( 15 - 25) INFO : 225 -4.912 = 0.000 - 80.50 * 0.247^2 ( 1.345) : KIYKDTEGYYT : Loop ID = 692 : 1L68_.pdb.bin ( 15 - 25) INFO : 226 -4.954 = 0.000 - 80.50 * 0.248^2 ( 0.791) : NVVLDAEGQES : Loop ID = 183 : 1B25A.pdb.bin ( 292 - 302) INFO : 227 -4.987 = 0.000 - 80.50 * 0.249^2 ( 1.211) : KIYKDTEGYYT : Loop ID = 570 : 1G1VA.pdb.bin ( 15 - 25) INFO : 228 -5.009 = 0.000 - 80.50 * 0.249^2 ( 1.274) : KIYKDTEGAAA : Loop ID = 626 : 1SSWA.pdb.bin ( 15 - 25) INFO : 229 -5.103 = -1.000 - 80.50 * 0.226^2 ( 0.862) : KIYKETEGYYT : Loop ID = 238 : 1QT5A.pdb.bin ( 15 - 25) INFO : 230 -5.116 = 0.000 - 80.50 * 0.252^2 ( 1.299) : KIYKDTEGYYT : Loop ID = 648 : 192L_.pdb.bin ( 15 - 25) INFO : 231 -5.163 = 2.000 - 80.50 * 0.298^2 ( 2.247) : RAYSGSDGFTR : Loop ID = 1134 : 1KDGA.pdb.bin ( 354 - 364) INFO : 232 -5.224 = 1.000 - 80.50 * 0.278^2 ( 1.197) : NIVDIGPDSLT : Loop ID = 562 : 2BKHA.pdb.bin ( 16 - 26) INFO : 233 -5.267 = 0.000 - 80.50 * 0.256^2 ( 1.031) : KIYKDTEGYYT : Loop ID = 385 : 231L_.pdb.bin ( 15 - 25) INFO : 234 -5.273 = 0.000 - 80.50 * 0.256^2 ( 1.649) : KFEKGAGEGAV : Loop ID = 878 : 1YV3A.pdb.bin ( 348 - 358) INFO : 235 -5.320 = 2.000 - 80.50 * 0.302^2 ( 1.512) : QTGEGGGYFGI : Loop ID = 814 : 1WBFA.pdb.bin ( 98 - 108) INFO : 236 -5.352 = 0.000 - 80.50 * 0.258^2 ( 1.144) : KIYKDTEGYYT : Loop ID = 498 : 1PQIA.pdb.bin ( 15 - 25) INFO : 237 -5.363 = -1.000 - 80.50 * 0.233^2 ( 0.661) : TLVVTANRFEQ : Loop ID = 108 : 1NQEA.pdb.bin ( 1 - 11) INFO : 238 -5.386 = 1.000 - 80.50 * 0.282^2 ( 1.171) : GKAGSDERFDY : Loop ID = 534 : 1VB9A.pdb.bin ( 57 - 67) INFO : 239 -5.429 = 0.000 - 80.50 * 0.260^2 ( 1.201) : KIYKDTEGYYT : Loop ID = 564 : 1L46_.pdb.bin ( 15 - 25) INFO : 240 -5.483 = 0.000 - 80.50 * 0.261^2 ( 1.039) : KIYKDTEGYYT : Loop ID = 393 : 1G1WA.pdb.bin ( 15 - 25) INFO : 241 -5.506 = 0.000 - 80.50 * 0.262^2 ( 0.760) : FVSNPAPSVVV : Loop ID = 160 : 1KHIA.pdb.bin ( 58 - 68) INFO : 242 -5.575 = 0.000 - 80.50 * 0.263^2 ( 1.427) : KIYKDTEGYYT : Loop ID = 761 : 1L65_.pdb.bin ( 15 - 25) INFO : 243 -5.586 = -1.000 - 80.50 * 0.239^2 ( 0.952) : LHDLSSETIDR : Loop ID = 325 : 1M2OA.pdb.bin ( 163 - 173) INFO : 244 -5.811 = -3.000 - 80.50 * 0.187^2 ( 0.397) : GMNKILPGLYI : Loop ID = 14 : 1WRMA.pdb.bin ( 5 - 15) INFO : 245 -5.831 = 0.000 - 80.50 * 0.269^2 ( 1.774) : KIYKDTEGYYT : Loop ID = 947 : 1L64_.pdb.bin ( 15 - 25) INFO : 246 -5.914 = -4.000 - 80.50 * 0.154^2 ( 1.722) : RKKTGDLSVRS : Loop ID = 919 : 1U7LA.pdb.bin ( 159 - 169) INFO : 247 -5.987 = 3.000 - 80.50 * 0.334^2 ( 2.236) : ALSTGEKGFGY : Loop ID = 1131 : 2CYHA.pdb.bin ( 36 - 46) INFO : 248 -6.103 = -1.000 - 80.50 * 0.252^2 ( 1.684) : KIYKDHEGYYT : Loop ID = 896 : 258LA.pdb.bin ( 15 - 25) INFO : 249 -6.113 = -3.000 - 80.50 * 0.197^2 ( 0.952) : NDLMDQKGFLS : Loop ID = 324 : 1UM0A.pdb.bin ( 262 - 272) INFO : 250 -6.158 = 1.000 - 80.50 * 0.298^2 ( 1.629) : GKAGSDERFDY : Loop ID = 866 : 1JI2A.pdb.bin ( 57 - 67) INFO : 251 -6.239 = 2.000 - 80.50 * 0.320^2 ( 0.832) : RKFKTPSGKEA : Loop ID = 212 : 1GU2A.pdb.bin ( 36 - 46) INFO : 252 -6.319 = 4.000 - 80.50 * 0.358^2 ( 1.856) : GLNSTGPNYTE : Loop ID = 980 : 1G87A.pdb.bin ( 461 - 471) INFO : 253 -6.378 = 3.000 - 80.50 * 0.341^2 ( 2.155) : ALATGEKGFGY : Loop ID = 1108 : 1CYNA.pdb.bin ( 39 - 49) INFO : 254 -6.393 = 0.000 - 80.50 * 0.282^2 ( 1.464) : KIYKDTEGYYT : Loop ID = 785 : 1QUGA.pdb.bin ( 15 - 25) INFO : 255 -6.500 = 3.000 - 80.50 * 0.344^2 ( 1.884) : SCHKGHEKSVA : Loop ID = 991 : 1D4DA.pdb.bin ( 65 - 75) INFO : 256 -6.515 = -2.000 - 80.50 * 0.237^2 ( 0.865) : ELQEESPGKYT : Loop ID = 241 : 1NP1A.pdb.bin ( 72 - 82) INFO : 257 -6.518 = 0.000 - 80.50 * 0.285^2 ( 1.276) : DCWDGPNQEPI : Loop ID = 627 : 1DJXA.pdb.bin ( 143 - 153) INFO : 258 -6.524 = -2.000 - 80.50 * 0.237^2 ( 1.096) : KIYKDCEGYYT : Loop ID = 452 : 1B6IA.pdb.bin ( 15 - 25) INFO : 259 -6.632 = -6.000 - 80.50 * 0.089^2 ( 1.068) : LVGTDPVYGTM : Loop ID = 426 : 1PYYA.pdb.bin ( 373 - 383) INFO : 260 -6.739 = -6.000 - 80.50 * 0.096^2 ( 1.251) : LVGTDPVYGTM : Loop ID = 605 : 1QMEA.pdb.bin ( 335 - 345) INFO : 261 -6.774 = 1.000 - 80.50 * 0.311^2 ( 1.456) : RKTGSDELFDY : Loop ID = 781 : 1J0HA.pdb.bin ( 59 - 69) INFO : 262 -6.790 = -2.000 - 80.50 * 0.244^2 ( 1.594) : KIYKDCEGYYT : Loop ID = 849 : 1KNIA.pdb.bin ( 15 - 25) INFO : 263 -6.847 = 2.000 - 80.50 * 0.332^2 ( 1.076) : NLVQTLENTPA : Loop ID = 431 : 1EG7A.pdb.bin ( 251 - 261) INFO : 264 -6.860 = 0.000 - 80.50 * 0.292^2 ( 1.213) : KIYKDTEGYYT : Loop ID = 574 : 1CTWA.pdb.bin ( 15 - 25) INFO : 265 -7.015 = -2.000 - 80.50 * 0.250^2 ( 1.039) : KIYKDTEGYYH : Loop ID = 394 : 1QT8A.pdb.bin ( 15 - 25) INFO : 266 -7.212 = 0.000 - 80.50 * 0.299^2 ( 1.174) : DCWDGPNQEPI : Loop ID = 537 : 1QASA.pdb.bin ( 138 - 148) INFO : 267 -7.218 = 0.000 - 80.50 * 0.299^2 ( 1.699) : GISTDPEGKKR : Loop ID = 902 : 1WBA_.pdb.bin ( 143 - 153) INFO : 268 -7.253 = 0.000 - 80.50 * 0.300^2 ( 0.914) : SVANIPGVDPV : Loop ID = 290 : 1GPIA.pdb.bin ( 307 - 317) INFO : 269 -7.255 = -3.000 - 80.50 * 0.230^2 ( 2.169) : TAWLGPDGVWR : Loop ID = 1114 : 1ST8A.pdb.bin ( 148 - 158) INFO : 270 -7.605 = 2.000 - 80.50 * 0.345^2 ( 1.779) : EVVRHAPESVS : Loop ID = 951 : 1LURA.pdb.bin ( 101 - 111) INFO : 271 -7.773 = -1.000 - 80.50 * 0.290^2 ( 0.631) : LLGVGADGHTA : Loop ID = 95 : 1Y89A.pdb.bin ( 130 - 140) INFO : 272 -7.807 = -1.000 - 80.50 * 0.291^2 ( 1.089) : VVSKVEGQFAR : Loop ID = 445 : 1VHOA.pdb.bin ( 67 - 77) INFO : 273 -7.834 = -1.000 - 80.50 * 0.291^2 ( 1.447) : DCQPSPNNGSI : Loop ID = 776 : 1ZO2A.pdb.bin ( 72 - 82) INFO : 274 -8.026 = -7.000 - 80.50 * 0.113^2 ( 0.550) : EATRNSQHLHD : Loop ID = 50 : 1Z6OA.pdb.bin ( 145 - 155) INFO : 275 -8.144 = -2.000 - 80.50 * 0.276^2 ( 0.544) : EIVNAEAPIQR : Loop ID = 48 : 1X6MA.pdb.bin ( 87 - 97) INFO : 276 -8.153 = 1.000 - 80.50 * 0.337^2 ( 1.363) : NVEKQDGGWWR : Loop ID = 708 : 1YWPA.pdb.bin ( 31 - 41) INFO : 277 -8.205 = -7.000 - 80.50 * 0.122^2 ( 1.388) : DCTVHGSLFPW : Loop ID = 731 : 1H8PA.pdb.bin ( 15 - 25) INFO : 278 -8.533 = 1.000 - 80.50 * 0.344^2 ( 2.273) : GKAGSDERFDY : Loop ID = 1145 : 1WZKA.pdb.bin ( 57 - 67) INFO : 279 -8.639 = 0.000 - 80.50 * 0.328^2 ( 1.303) : STSTYTNTADL : Loop ID = 652 : 1TG7A.pdb.bin ( 364 - 374) INFO : 280 -8.643 = -3.000 - 80.50 * 0.265^2 ( 0.595) : FRPREGKYAGA : Loop ID = 67 : 1IQ0A.pdb.bin ( 262 - 272) INFO : 281 -8.835 = -7.000 - 80.50 * 0.151^2 ( 0.728) : KPSKQSNNKYA : Loop ID = 143 : 1AQKL.pdb.bin ( 165 - 175) INFO : 282 -8.905 = -7.000 - 80.50 * 0.154^2 ( 0.640) : TPSKQSNNKYA : Loop ID = 99 : 7FABL.pdb.bin ( 158 - 168) INFO : 283 -8.968 = -2.000 - 80.50 * 0.294^2 ( 0.520) : TLTQGLKGDPT : Loop ID = 37 : 1RFS_.pdb.bin ( 25 - 35) INFO : 284 -9.042 = -4.000 - 80.50 * 0.250^2 ( 1.623) : RWREQSPAHWS : Loop ID = 862 : 1N3AA.pdb.bin ( 37 - 47) INFO : 285 -9.325 = -2.000 - 80.50 * 0.302^2 ( 1.077) : EWKKAANGADI : Loop ID = 435 : 2AM1A.pdb.bin ( 302 - 312) INFO : 286 -9.408 = -5.000 - 80.50 * 0.234^2 ( 1.165) : PFKEVSPNSFL : Loop ID = 527 : 1QB7A.pdb.bin ( 0 - 10) INFO : 287 -9.646 = -7.000 - 80.50 * 0.181^2 ( 0.506) : TPSKQSNNKYA : Loop ID = 31 : 1RZFL.pdb.bin ( 166 - 176) INFO : 288 -9.825 = -4.000 - 80.50 * 0.269^2 ( 1.011) : QATKIIDGFHL : Loop ID = 367 : 1E5DA.pdb.bin ( 0 - 10) INFO : 289 -9.871 = -3.000 - 80.50 * 0.292^2 ( 1.825) : GVVVLPSGLQY : Loop ID = 970 : 1FD9A.pdb.bin ( 91 - 101) INFO : 290 -9.884 = -4.000 - 80.50 * 0.270^2 ( 1.273) : NIIDVTNELYT : Loop ID = 624 : 2FGDA.pdb.bin ( 106 - 116) INFO : 291 -9.945 = -6.000 - 80.50 * 0.221^2 ( 0.711) : LYDAGRGTPKD : Loop ID = 129 : 1OUVA.pdb.bin ( 150 - 160) INFO : 292 -9.965 = -1.000 - 80.50 * 0.334^2 ( 1.200) : IKLEGTGDLDL : Loop ID = 563 : 1WMIA.pdb.bin ( 45 - 55) INFO : 293 -9.969 = -6.000 - 80.50 * 0.222^2 ( 1.383) : IVTAGADGALT : Loop ID = 726 : 2IZB_.pdb.bin ( 17 - 27) INFO : 294 -10.236 = -5.000 - 80.50 * 0.255^2 ( 1.938) : SLVMSGPYELK : Loop ID = 1015 : 31BI_.pdb.bin ( 14 - 24) INFO : 295 -10.243 = -7.000 - 80.50 * 0.201^2 ( 0.520) : TPSKQSNNKYA : Loop ID = 36 : 1Q1JL.pdb.bin ( 167 - 177) INFO : 296 -10.346 = -8.000 - 80.50 * 0.171^2 ( 1.256) : RWTNNFREYNL : Loop ID = 609 : 1HFC_.pdb.bin ( 95 - 105) INFO : 297 -10.353 = -8.000 - 80.50 * 0.171^2 ( 0.388) : IIELKGPKQYD : Loop ID = 13 : 1Q6GA.pdb.bin ( 52 - 62) INFO : 298 -10.381 = -5.000 - 80.50 * 0.259^2 ( 2.060) : APIKDPWGMQR : Loop ID = 1067 : 1WUBA.pdb.bin ( 117 - 127) INFO : 299 -10.445 = -2.000 - 80.50 * 0.324^2 ( 1.900) : EEEYVSPRFLV : Loop ID = 998 : 1Z1AA.pdb.bin ( 2 - 12) INFO : 300 -10.450 = -6.000 - 80.50 * 0.235^2 ( 1.187) : IVTAGADGALT : Loop ID = 552 : 1N43A.pdb.bin ( 14 - 24) INFO : 301 -10.485 = -6.000 - 80.50 * 0.236^2 ( 0.649) : IVTAGADGALT : Loop ID = 105 : 1NQMA.pdb.bin ( 14 - 24) INFO : 302 -10.487 = -5.000 - 80.50 * 0.261^2 ( 1.745) : SLVMSGPYELK : Loop ID = 932 : 21BI_.pdb.bin ( 14 - 24) INFO : 303 -10.567 = -7.000 - 80.50 * 0.210^2 ( 0.456) : TLTNNGGNSYS : Loop ID = 24 : 1K3IA.pdb.bin ( 603 - 613) INFO : 304 -10.594 = -6.000 - 80.50 * 0.239^2 ( 1.414) : YISKKHAEKNW : Loop ID = 758 : 1QQLA.pdb.bin ( 88 - 98) INFO : 305 -10.670 = -4.000 - 80.50 * 0.288^2 ( 1.045) : KIISNEEGYRH : Loop ID = 398 : 1U8EA.pdb.bin ( 334 - 344) INFO : 306 -10.682 = -6.000 - 80.50 * 0.241^2 ( 1.382) : IVTAGADGALT : Loop ID = 724 : 1MEPA.pdb.bin ( 14 - 24) INFO : 307 -10.683 = -6.000 - 80.50 * 0.241^2 ( 0.631) : YLGAPNEVGDR : Loop ID = 96 : 1UUQA.pdb.bin ( 29 - 39) INFO : 308 -10.686 = -6.000 - 80.50 * 0.241^2 ( 0.950) : IVTAGADGALT : Loop ID = 318 : 1KL3A.pdb.bin ( 14 - 24) INFO : 309 -10.724 = -3.000 - 80.50 * 0.310^2 ( 1.433) : DVIYGDTDSTF : Loop ID = 767 : 1Q8IA.pdb.bin ( 526 - 536) INFO : 310 -10.793 = -8.000 - 80.50 * 0.186^2 ( 0.322) : IIELKGPKQYD : Loop ID = 8 : 1Q6EA.pdb.bin ( 52 - 62) INFO : 311 -10.855 = -6.000 - 80.50 * 0.246^2 ( 0.925) : SVHEDKNRVPY : Loop ID = 295 : 1BG2_.pdb.bin ( 151 - 161) INFO : 312 -10.878 = -5.000 - 80.50 * 0.270^2 ( 1.573) : SLVMSGPYELK : Loop ID = 832 : 1TOOA.pdb.bin ( 16 - 26) INFO : 313 -10.988 = -7.000 - 80.50 * 0.223^2 ( 0.723) : TLTNNGGNSYS : Loop ID = 139 : 1T2XA.pdb.bin ( 592 - 602) INFO : 314 -11.042 = -7.000 - 80.50 * 0.224^2 ( 1.934) : EATGLPSVEPE : Loop ID = 1013 : 1Y97A.pdb.bin ( 16 - 26) INFO : 315 -11.044 = -5.000 - 80.50 * 0.274^2 ( 1.339) : GRVRLLNNWDV : Loop ID = 688 : 1HBQ_.pdb.bin ( 58 - 68) INFO : 316 -11.066 = -8.000 - 80.50 * 0.195^2 ( 0.842) : GFIFGDMNIYH : Loop ID = 220 : 1Y2GA.pdb.bin ( 30 - 40) INFO : 317 -11.081 = -6.000 - 80.50 * 0.251^2 ( 1.997) : YISKKHAEKNW : Loop ID = 1042 : 2AQZA.pdb.bin ( 99 - 109) INFO : 318 -11.088 = -8.000 - 80.50 * 0.196^2 ( 0.424) : IIELKGPKQYD : Loop ID = 18 : 1Q6DA.pdb.bin ( 52 - 62) INFO : 319 -11.094 = -6.000 - 80.50 * 0.252^2 ( 1.409) : IVTAGADGALT : Loop ID = 754 : 1RXKA.pdb.bin ( 15 - 25) INFO : 320 -11.097 = -6.000 - 80.50 * 0.252^2 ( 0.913) : IVTAGADGALT : Loop ID = 289 : 1SWOA.pdb.bin ( 14 - 24) INFO : 321 -11.121 = -5.000 - 80.50 * 0.276^2 ( 2.136) : SLVMSGPYELK : Loop ID = 1101 : 1TP0A.pdb.bin ( 16 - 26) INFO : 322 -11.122 = -6.000 - 80.50 * 0.252^2 ( 0.903) : IVTAGADGALT : Loop ID = 277 : 2BC3A.pdb.bin ( 17 - 27) INFO : 323 -11.125 = -6.000 - 80.50 * 0.252^2 ( 0.702) : IVTAGADGALT : Loop ID = 123 : 2F01A.pdb.bin ( 16 - 26) INFO : 324 -11.136 = -5.000 - 80.50 * 0.276^2 ( 1.086) : GRVRLLNNWDV : Loop ID = 444 : 1JYDA.pdb.bin ( 58 - 68) INFO : 325 -11.147 = -5.000 - 80.50 * 0.276^2 ( 0.886) : QLHENEDGSKS : Loop ID = 259 : 1PYYA.pdb.bin ( 83 - 93) INFO : 326 -11.151 = -6.000 - 80.50 * 0.253^2 ( 0.933) : IVTAGADGALT : Loop ID = 304 : 1KL4A.pdb.bin ( 14 - 24) INFO : 327 -11.157 = -7.000 - 80.50 * 0.227^2 ( 1.727) : SIAAREGKART : Loop ID = 922 : 1EFZA.pdb.bin ( 6 - 16) INFO : 328 -11.175 = -4.000 - 80.50 * 0.299^2 ( 1.748) : ELRYTPQGTAV : Loop ID = 934 : 2CWAA.pdb.bin ( 121 - 131) INFO : 329 -11.195 = -6.000 - 80.50 * 0.254^2 ( 0.695) : IVTAGADGALT : Loop ID = 119 : 1N9YA.pdb.bin ( 14 - 24) INFO : 330 -11.200 = -6.000 - 80.50 * 0.254^2 ( 0.601) : IVTAGADGALT : Loop ID = 74 : 1SWUA.pdb.bin ( 14 - 24) INFO : 331 -11.204 = -7.000 - 80.50 * 0.229^2 ( 1.023) : SIAAREGKART : Loop ID = 376 : 1PXGA.pdb.bin ( 6 - 16) INFO : 332 -11.218 = -9.000 - 80.50 * 0.166^2 ( 1.277) : ELLPVSQASWA : Loop ID = 630 : 2B5IB.pdb.bin ( 37 - 47) INFO : 333 -11.237 = -6.000 - 80.50 * 0.255^2 ( 0.709) : IVTAGADGALT : Loop ID = 128 : 1SWQA.pdb.bin ( 14 - 24) INFO : 334 -11.334 = -8.000 - 80.50 * 0.204^2 ( 0.643) : IIELKGPKQYD : Loop ID = 102 : 1V3IA.pdb.bin ( 52 - 62) INFO : 335 -11.389 = -7.000 - 80.50 * 0.234^2 ( 1.664) : SIAAREGKART : Loop ID = 883 : 1OZQA.pdb.bin ( 6 - 16) INFO : 336 -11.415 = -7.000 - 80.50 * 0.234^2 ( 0.751) : LKVIGQDSSEI : Loop ID = 157 : 2BF8B.pdb.bin ( 3 - 13) INFO : 337 -11.487 = -8.000 - 80.50 * 0.208^2 ( 1.102) : GFIFGDMNIYH : Loop ID = 461 : 1F46A.pdb.bin ( 30 - 40) INFO : 338 -11.540 = 1.000 - 80.50 * 0.395^2 ( 1.565) : NIRKEDGGWWE : Loop ID = 828 : 2BZ8A.pdb.bin ( 26 - 36) INFO : 339 -11.626 = -6.000 - 80.50 * 0.264^2 ( 1.765) : IVTAGADGALT : Loop ID = 942 : 1SWHA.pdb.bin ( 14 - 24) INFO : 340 -11.653 = -8.000 - 80.50 * 0.213^2 ( 1.507) : MYHHGEGATKN : Loop ID = 813 : 1OUVA.pdb.bin ( 186 - 196) INFO : 341 -11.660 = -7.000 - 80.50 * 0.241^2 ( 2.009) : YTKAEGPAKGQ : Loop ID = 1050 : 1Y5IA.pdb.bin ( 931 - 941) INFO : 342 -11.661 = -8.000 - 80.50 * 0.213^2 ( 0.598) : NLMPSGNGGFM : Loop ID = 70 : 1ZO2A.pdb.bin ( 104 - 114) INFO : 343 -11.720 = -7.000 - 80.50 * 0.242^2 ( 1.584) : WLVKYGDSGEQ : Loop ID = 842 : 1IVYA.pdb.bin ( 397 - 407) INFO : 344 -11.721 = -4.000 - 80.50 * 0.310^2 ( 1.297) : KIISNEEGYRH : Loop ID = 647 : 1X70A.pdb.bin ( 334 - 344) INFO : 345 -11.725 = -2.000 - 80.50 * 0.348^2 ( 1.395) : FYTSGKCSNPA : Loop ID = 737 : 1U4LA.pdb.bin ( 26 - 36) INFO : 346 -11.747 = -5.000 - 80.50 * 0.290^2 ( 1.065) : YLGRFPDGVLI : Loop ID = 422 : 1SJYA.pdb.bin ( 77 - 87) INFO : 347 -11.788 = -6.000 - 80.50 * 0.268^2 ( 0.905) : IVTAGADGALT : Loop ID = 280 : 1RXJA.pdb.bin ( 14 - 24) INFO : 348 -11.808 = -7.000 - 80.50 * 0.244^2 ( 1.148) : SIAAREGKART : Loop ID = 505 : 1Y5WA.pdb.bin ( 6 - 16) INFO : 349 -11.840 = -5.000 - 80.50 * 0.292^2 ( 1.837) : PATKRPDGTWR : Loop ID = 976 : 1RK8C.pdb.bin ( 11 - 21) INFO : 350 -11.842 = -6.000 - 80.50 * 0.269^2 ( 0.242) : ALGSSSGSVRS : Loop ID = 2 : 2C3BA.pdb.bin ( 118 - 128) INFO : 351 -11.849 = -6.000 - 80.50 * 0.270^2 ( 0.888) : IVTAGADGALT : Loop ID = 261 : 1LUQA.pdb.bin ( 14 - 24) INFO : 352 -11.861 = -7.000 - 80.50 * 0.246^2 ( 0.899) : SIAAREGKART : Loop ID = 270 : 1R5YA.pdb.bin ( 6 - 16) INFO : 353 -11.896 = -11.000 - 80.50 * 0.105^2 ( 1.395) : MQYNGEGVTRN : Loop ID = 736 : 1OUVA.pdb.bin ( 222 - 232) INFO : 354 -11.913 = -6.000 - 80.50 * 0.271^2 ( 1.054) : IVTAGADGALT : Loop ID = 404 : 1SWSA.pdb.bin ( 14 - 24) INFO : 355 -11.932 = -5.000 - 80.50 * 0.293^2 ( 1.256) : SLVLSDPYELK : Loop ID = 610 : 8I1B_.pdb.bin ( 12 - 22) INFO : 356 -11.945 = -6.000 - 80.50 * 0.272^2 ( 0.806) : LLQQSNFNHRA : Loop ID = 198 : 2B3JA.pdb.bin ( 115 - 125) INFO : 357 -11.966 = -7.000 - 80.50 * 0.248^2 ( 0.880) : TIVGYQANYWI : Loop ID = 256 : 1O0EA.pdb.bin ( 159 - 169) INFO : 358 -11.980 = -8.000 - 80.50 * 0.222^2 ( 0.901) : RGVRRPDGSYI : Loop ID = 273 : 1WHI_.pdb.bin ( 66 - 76) INFO : 359 -12.000 = -8.000 - 80.50 * 0.223^2 ( 1.449) : QLRYGKDGNFD : Loop ID = 778 : 1OMHA.pdb.bin ( 194 - 204) INFO : 360 -12.040 = -6.000 - 80.50 * 0.274^2 ( 0.764) : IVTAGADGALT : Loop ID = 164 : 1NBXA.pdb.bin ( 14 - 24) INFO : 361 -12.055 = -5.000 - 80.50 * 0.296^2 ( 1.069) : AIVKDSDGQPT : Loop ID = 427 : 1WN5A.pdb.bin ( 102 - 112) INFO : 362 -12.132 = -7.000 - 80.50 * 0.252^2 ( 1.554) : VLIKDEEGKEM : Loop ID = 826 : 1HW5A.pdb.bin ( 48 - 58) INFO : 363 -12.132 = -2.000 - 80.50 * 0.355^2 ( 1.835) : YLRKGRGETRI : Loop ID = 973 : 1N0WA.pdb.bin ( 165 - 175) INFO : 364 -12.175 = -7.000 - 80.50 * 0.254^2 ( 1.000) : SIAAREGKART : Loop ID = 361 : 1WKE_.pdb.bin ( 6 - 16) INFO : 365 -12.176 = -8.000 - 80.50 * 0.228^2 ( 1.161) : IIELKGPKQYD : Loop ID = 521 : 1BYB_.pdb.bin ( 53 - 63) INFO : 366 -12.192 = -7.000 - 80.50 * 0.254^2 ( 0.999) : YVHKKNDGTTV : Loop ID = 359 : 2CXVA.pdb.bin ( 142 - 152) INFO : 367 -12.254 = -3.000 - 80.50 * 0.339^2 ( 0.799) : KIISNEEGYKH : Loop ID = 189 : 1ORVA.pdb.bin ( 334 - 344) INFO : 368 -12.317 = -7.000 - 80.50 * 0.257^2 ( 1.568) : VVSYASETALI : Loop ID = 829 : 1DZKA.pdb.bin ( 79 - 89) INFO : 369 -12.330 = -4.000 - 80.50 * 0.322^2 ( 1.791) : EFTVEPDGLIT : Loop ID = 957 : 1H8GA.pdb.bin ( 79 - 89) INFO : 370 -12.365 = -10.000 - 80.50 * 0.171^2 ( 1.120) : PFEKTESGMYY : Loop ID = 483 : 1VA6A.pdb.bin ( 212 - 222) INFO : 371 -12.377 = -8.000 - 80.50 * 0.233^2 ( 1.120) : KQYAGKGVVKN : Loop ID = 484 : 1KLXA.pdb.bin ( 99 - 109) INFO : 372 -12.449 = -6.000 - 80.50 * 0.283^2 ( 1.157) : SVIAEDAEYVL : Loop ID = 519 : 1U7LA.pdb.bin ( 218 - 228) INFO : 373 -12.546 = -8.000 - 80.50 * 0.238^2 ( 1.076) : EIVSETSDSFT : Loop ID = 433 : 1VOM_.pdb.bin ( 49 - 59) INFO : 374 -12.613 = -10.000 - 80.50 * 0.180^2 ( 0.660) : ELFSTTGSSTI : Loop ID = 107 : 1PA2A.pdb.bin ( 248 - 258) INFO : 375 -12.688 = -8.000 - 80.50 * 0.241^2 ( 0.830) : IIELKGPKQYD : Loop ID = 209 : 1UKOA.pdb.bin ( 52 - 62) INFO : 376 -12.693 = -6.000 - 80.50 * 0.288^2 ( 1.379) : GRVRLLNNLDV : Loop ID = 720 : 1JYJA.pdb.bin ( 58 - 68) INFO : 377 -12.745 = -7.000 - 80.50 * 0.267^2 ( 2.102) : RILDYPARPLK : Loop ID = 1087 : 1AOP_.pdb.bin ( 251 - 261) INFO : 378 -12.749 = -7.000 - 80.50 * 0.267^2 ( 1.577) : SIAAREGKART : Loop ID = 836 : 1WKF_.pdb.bin ( 6 - 16) INFO : 379 -12.795 = -6.000 - 80.50 * 0.291^2 ( 2.037) : YISKKHAEKNW : Loop ID = 1058 : 2AFGA.pdb.bin ( 87 - 97) INFO : 380 -12.820 = -5.000 - 80.50 * 0.312^2 ( 1.236) : KLTNENRGFLV : Loop ID = 595 : 1JE0A.pdb.bin ( 34 - 44) INFO : 381 -12.919 = -9.000 - 80.50 * 0.221^2 ( 1.303) : NGNPHRENLRI : Loop ID = 651 : 1B1JA.pdb.bin ( 60 - 70) INFO : 382 -12.946 = -5.000 - 80.50 * 0.314^2 ( 0.923) : TLWQGEDGAAF : Loop ID = 294 : 1W3OA.pdb.bin ( 49 - 59) INFO : 383 -12.955 = -10.000 - 80.50 * 0.192^2 ( 1.906) : DLGAVDELTHL : Loop ID = 999 : 1FFYA.pdb.bin ( 894 - 904) INFO : 384 -12.960 = -8.000 - 80.50 * 0.248^2 ( 1.650) : SVAHDASGKRV : Loop ID = 881 : 1OS5A.pdb.bin ( 370 - 380) INFO : 385 -12.988 = -10.000 - 80.50 * 0.193^2 ( 0.566) : IYHDGKVVTRD : Loop ID = 60 : 1OUVA.pdb.bin ( 114 - 124) INFO : 386 -13.091 = -8.000 - 80.50 * 0.251^2 ( 0.850) : IIELKGPKQYD : Loop ID = 224 : 1V3HA.pdb.bin ( 53 - 63) INFO : 387 -13.120 = -12.000 - 80.50 * 0.118^2 ( 0.750) : RANNFFGVPQA : Loop ID = 154 : 1FXHB.pdb.bin ( 454 - 464) INFO : 388 -13.165 = -5.000 - 80.50 * 0.318^2 ( 1.366) : LIVRGQGARVW : Loop ID = 712 : 1VEFA.pdb.bin ( 21 - 31) INFO : 389 -13.290 = -9.000 - 80.50 * 0.231^2 ( 0.668) : LYYQGQGVEKN : Loop ID = 111 : 1OUVA.pdb.bin ( 42 - 52) INFO : 390 -13.323 = -11.000 - 80.50 * 0.170^2 ( 1.470) : VISEISDAGVV : Loop ID = 789 : 1TY9A.pdb.bin ( 55 - 65) INFO : 391 -13.330 = -11.000 - 80.50 * 0.170^2 ( 1.676) : FAFDTPSGVPY : Loop ID = 890 : 1KKTA.pdb.bin ( 132 - 142) INFO : 392 -13.342 = -12.000 - 80.50 * 0.129^2 ( 0.791) : RANNFFGVPQA : Loop ID = 182 : 1JX9B.pdb.bin ( 454 - 464) INFO : 393 -13.356 = -12.000 - 80.50 * 0.130^2 ( 0.666) : RANNFFGVPQA : Loop ID = 110 : 1H2GB.pdb.bin ( 454 - 464) INFO : 394 -13.359 = -5.000 - 80.50 * 0.322^2 ( 1.367) : EITSMRGTSLV : Loop ID = 713 : 1S5UA.pdb.bin ( 77 - 87) INFO : 395 -13.470 = -9.000 - 80.50 * 0.236^2 ( 0.836) : CRGHAAGDYYA : Loop ID = 215 : 1S0WC.pdb.bin ( 41 - 51) INFO : 396 -13.480 = -5.000 - 80.50 * 0.325^2 ( 1.097) : KIVSLSRTHLV : Loop ID = 453 : 1G85A.pdb.bin ( 89 - 99) INFO : 397 -13.482 = -8.000 - 80.50 * 0.261^2 ( 1.055) : IIELKGPKQYD : Loop ID = 407 : 1UKPA.pdb.bin ( 52 - 62) INFO : 398 -13.526 = -7.000 - 80.50 * 0.285^2 ( 1.077) : KPSKQSNNKYA : Loop ID = 436 : 1DCLA.pdb.bin ( 166 - 176) INFO : 399 -13.536 = -10.000 - 80.50 * 0.210^2 ( 1.209) : DFVVDKTGVKT : Loop ID = 569 : 1B5EA.pdb.bin ( 22 - 32) INFO : 400 -13.645 = -4.000 - 80.50 * 0.346^2 ( 1.768) : NIEFVDDDWWL : Loop ID = 944 : 1JO8A.pdb.bin ( 26 - 36) INFO : 401 -13.682 = -12.000 - 80.50 * 0.145^2 ( 0.719) : RANNFFGVPQA : Loop ID = 137 : 1GK9B.pdb.bin ( 454 - 464) INFO : 402 -13.703 = -8.000 - 80.50 * 0.266^2 ( 1.349) : IIELKGPKQYD : Loop ID = 698 : 1WDQA.pdb.bin ( 55 - 65) INFO : 403 -13.731 = -9.000 - 80.50 * 0.242^2 ( 2.157) : YPFYVSPTEMV : Loop ID = 1110 : 1M93B.pdb.bin ( 93 - 103) INFO : 404 -13.746 = -6.000 - 80.50 * 0.310^2 ( 1.465) : AAVGYGPNYIL : Loop ID = 786 : 9PAP_.pdb.bin ( 161 - 171) INFO : 405 -13.774 = -8.000 - 80.50 * 0.268^2 ( 0.729) : IIELKGPKQYD : Loop ID = 145 : 1WDSA.pdb.bin ( 54 - 64) INFO : 406 -13.788 = -8.000 - 80.50 * 0.268^2 ( 1.330) : IIELKGPKQYD : Loop ID = 672 : 1WDRA.pdb.bin ( 55 - 65) INFO : 407 -13.829 = -12.000 - 80.50 * 0.151^2 ( 1.436) : RANNFFGVPQA : Loop ID = 770 : 1KECB.pdb.bin ( 454 - 464) INFO : 408 -13.857 = -6.000 - 80.50 * 0.312^2 ( 1.896) : QVLWHPQYGTK : Loop ID = 995 : 2BO9B.pdb.bin ( 197 - 207) INFO : 409 -13.874 = -10.000 - 80.50 * 0.219^2 ( 1.090) : NLRGKSGQGYY : Loop ID = 447 : 1FKNA.pdb.bin ( 4 - 14) INFO : 410 -13.876 = -13.000 - 80.50 * 0.104^2 ( 0.258) : MYSLQGIHGDM : Loop ID = 3 : 1D4AA.pdb.bin ( 153 - 163) INFO : 411 -13.897 = -8.000 - 80.50 * 0.271^2 ( 1.364) : SVAHDASGKRV : Loop ID = 710 : 2AX0A.pdb.bin ( 370 - 380) INFO : 412 -13.963 = -10.000 - 80.50 * 0.222^2 ( 2.083) : NLRGKSGQGYY : Loop ID = 1075 : 1TQFA.pdb.bin ( 4 - 14) INFO : 413 -13.981 = -5.000 - 80.50 * 0.334^2 ( 1.378) : GPLICKGVFHA : Loop ID = 718 : 1MZAA.pdb.bin ( 191 - 201) INFO : 414 -13.987 = -11.000 - 80.50 * 0.193^2 ( 1.720) : GASENSDGEMV : Loop ID = 916 : 5PEP_.pdb.bin ( 235 - 245) INFO : 415 -14.007 = -9.000 - 80.50 * 0.249^2 ( 1.174) : ESRQIGPRTLV : Loop ID = 538 : 1GW6A.pdb.bin ( 209 - 219) INFO : 416 -14.014 = -12.000 - 80.50 * 0.158^2 ( 1.205) : RANNFFGVPQA : Loop ID = 565 : 1GKFB.pdb.bin ( 454 - 464) INFO : 417 -14.017 = -6.000 - 80.50 * 0.316^2 ( 0.725) : EVSYDKEGNEV : Loop ID = 140 : 1PFO_.pdb.bin ( 382 - 392) INFO : 418 -14.017 = -8.000 - 80.50 * 0.273^2 ( 2.226) : EMVEFSSGLKG : Loop ID = 1129 : 1H8EA.pdb.bin ( 32 - 42) INFO : 419 -14.059 = -12.000 - 80.50 * 0.160^2 ( 1.295) : RANNFFGVPQA : Loop ID = 643 : 1AJQB.pdb.bin ( 454 - 464) INFO : 420 -14.068 = -8.000 - 80.50 * 0.275^2 ( 1.254) : IIELKGPKQYD : Loop ID = 607 : 1WDPA.pdb.bin ( 55 - 65) INFO : 421 -14.090 = -12.000 - 80.50 * 0.161^2 ( 2.140) : YTTQMQGPNYA : Loop ID = 1103 : 1HA7A.pdb.bin ( 64 - 74) INFO : 422 -14.232 = -7.000 - 80.50 * 0.300^2 ( 1.337) : EIIRTSAGKKG : Loop ID = 684 : 1O54A.pdb.bin ( 55 - 65) INFO : 423 -14.257 = -10.000 - 80.50 * 0.230^2 ( 1.435) : NLRGKSGQGYY : Loop ID = 769 : 1W50A.pdb.bin ( 6 - 16) INFO : 424 -14.307 = -8.000 - 80.50 * 0.280^2 ( 1.430) : ELVSDGSGRVA : Loop ID = 765 : 1LQTA.pdb.bin ( 290 - 300) INFO : 425 -14.337 = -9.000 - 80.50 * 0.257^2 ( 1.788) : VTIADGPMAGL : Loop ID = 955 : 1XVQA.pdb.bin ( 108 - 118) INFO : 426 -14.354 = -10.000 - 80.50 * 0.233^2 ( 2.202) : FILSDGEGKNG : Loop ID = 1123 : 1QUQB.pdb.bin ( 38 - 48) INFO : 427 -14.445 = -7.000 - 80.50 * 0.304^2 ( 0.792) : GIEVNKKKEKR : Loop ID = 184 : 1R8OB.pdb.bin ( 43 - 53) INFO : 428 -14.509 = -6.000 - 80.50 * 0.325^2 ( 1.265) : RLNQPKDQVQI : Loop ID = 616 : 1YXAA.pdb.bin ( 76 - 86) INFO : 429 -14.509 = -12.000 - 80.50 * 0.177^2 ( 0.793) : QPSKQSNNKYM : Loop ID = 185 : 1MFEL.pdb.bin ( 164 - 174) INFO : 430 -14.564 = -8.000 - 80.50 * 0.286^2 ( 1.347) : EVKKTFGKARL : Loop ID = 695 : 2ASHA.pdb.bin ( 3 - 13) INFO : 431 -14.588 = -7.000 - 80.50 * 0.307^2 ( 1.271) : QMIPYADGGEA : Loop ID = 622 : 1V7WA.pdb.bin ( 427 - 437) INFO : 432 -14.615 = -9.000 - 80.50 * 0.264^2 ( 0.812) : GWVDLEPEGKV : Loop ID = 201 : 2FK9A.pdb.bin ( 122 - 132) INFO : 433 -14.616 = -10.000 - 80.50 * 0.239^2 ( 0.972) : FLSVTKWGHSA : Loop ID = 337 : 1GG1A.pdb.bin ( 202 - 212) INFO : 434 -14.626 = -11.000 - 80.50 * 0.212^2 ( 2.125) : IISPNAKKEYE : Loop ID = 1096 : 1HQZ1.pdb.bin ( 31 - 41) INFO : 435 -14.647 = -8.000 - 80.50 * 0.287^2 ( 1.074) : SVAHDASGKRV : Loop ID = 429 : 1YVFA.pdb.bin ( 371 - 381) INFO : 436 -14.664 = -7.000 - 80.50 * 0.309^2 ( 1.706) : IIEAKGPKQYD : Loop ID = 909 : 1FA2A.pdb.bin ( 58 - 68) INFO : 437 -14.687 = -9.000 - 80.50 * 0.266^2 ( 1.034) : NIDYLTTHDFY : Loop ID = 389 : 1TY0A.pdb.bin ( 28 - 38) INFO : 438 -14.724 = -13.000 - 80.50 * 0.146^2 ( 1.188) : AADPYCCTGND : Loop ID = 554 : 1QOZA.pdb.bin ( 171 - 181) INFO : 439 -14.739 = -11.000 - 80.50 * 0.216^2 ( 0.648) : KPTDTVNTKGI : Loop ID = 104 : 1VPSA.pdb.bin ( 111 - 121) INFO : 440 -14.764 = -12.000 - 80.50 * 0.185^2 ( 0.613) : MYSLQGVHGDM : Loop ID = 81 : 1QRDA.pdb.bin ( 153 - 163) INFO : 441 -14.821 = -10.000 - 80.50 * 0.245^2 ( 1.032) : FLSVTKWGHSA : Loop ID = 386 : 1N8FA.pdb.bin ( 201 - 211) INFO : 442 -14.850 = -10.000 - 80.50 * 0.245^2 ( 0.887) : MMSVDETLMCS : Loop ID = 260 : 1FJMA.pdb.bin ( 275 - 285) INFO : 443 -14.851 = -2.000 - 80.50 * 0.400^2 ( 1.712) : DAMTHPDGMQI : Loop ID = 911 : 1HW5A.pdb.bin ( 154 - 164) INFO : 444 -14.858 = -12.000 - 80.50 * 0.188^2 ( 0.800) : QPSKQSNNKYM : Loop ID = 190 : 1GIGL.pdb.bin ( 165 - 175) INFO : 445 -14.887 = -8.000 - 80.50 * 0.292^2 ( 1.157) : EIVSETSDSFT : Loop ID = 520 : 1YV3A.pdb.bin ( 49 - 59) INFO : 446 -14.890 = -9.000 - 80.50 * 0.270^2 ( 1.769) : KIIFEDDRCLA : Loop ID = 945 : 1KPF_.pdb.bin ( 14 - 24) INFO : 447 -14.907 = -12.000 - 80.50 * 0.190^2 ( 0.552) : QPSKQSNNKYM : Loop ID = 52 : 1NJ9A.pdb.bin ( 165 - 175) INFO : 448 -14.910 = -11.000 - 80.50 * 0.220^2 ( 1.710) : DLRSVGNGNSV : Loop ID = 910 : 1HUFA.pdb.bin ( 86 - 96) INFO : 449 -14.940 = -12.000 - 80.50 * 0.191^2 ( 0.639) : QPSKQSNNKYM : Loop ID = 98 : 1NC2A.pdb.bin ( 165 - 175) INFO : 450 -14.948 = -12.000 - 80.50 * 0.191^2 ( 0.559) : QPSKQSNNKYM : Loop ID = 56 : 1Q0XL.pdb.bin ( 165 - 175) INFO : 451 -14.993 = -11.000 - 80.50 * 0.223^2 ( 0.622) : GASENSDGEMV : Loop ID = 87 : 3PSG_.pdb.bin ( 274 - 284) INFO : 452 -15.062 = -7.000 - 80.50 * 0.316^2 ( 2.249) : RQSATGTKTDT : Loop ID = 1135 : 2FCPA.pdb.bin ( 12 - 22) INFO : 453 -15.071 = -11.000 - 80.50 * 0.225^2 ( 1.149) : GASENSDGDMV : Loop ID = 506 : 1QRPE.pdb.bin ( 235 - 245) INFO : 454 -15.204 = -10.000 - 80.50 * 0.254^2 ( 0.714) : YTGSDSKSRQV : Loop ID = 132 : 1ST8A.pdb.bin ( 96 - 106) INFO : 455 -15.256 = -7.000 - 80.50 * 0.320^2 ( 1.006) : LLGDTPTDKKF : Loop ID = 365 : 1XF8A.pdb.bin ( 59 - 69) INFO : 456 -15.276 = -9.000 - 80.50 * 0.279^2 ( 0.838) : CRGHAAGDYYA : Loop ID = 217 : 1XXMC.pdb.bin ( 41 - 51) INFO : 457 -15.305 = -13.000 - 80.50 * 0.169^2 ( 0.811) : PVVGSLDGQSI : Loop ID = 200 : 1OIOA.pdb.bin ( 62 - 72) INFO : 458 -15.309 = -7.000 - 80.50 * 0.321^2 ( 1.642) : TVMYADDSSAL : Loop ID = 874 : 1NP1A.pdb.bin ( 107 - 117) INFO : 459 -15.330 = -11.000 - 80.50 * 0.232^2 ( 0.352) : GASENSDGDMV : Loop ID = 10 : 1FLHA.pdb.bin ( 235 - 245) INFO : 460 -15.337 = -9.000 - 80.50 * 0.281^2 ( 0.711) : NFVAQTDGTYK : Loop ID = 130 : 1J83A.pdb.bin ( 120 - 130) INFO : 461 -15.340 = -8.000 - 80.50 * 0.302^2 ( 1.648) : TVGRTHYQTAS : Loop ID = 876 : 1YISA.pdb.bin ( 146 - 156) INFO : 462 -15.358 = -9.000 - 80.50 * 0.281^2 ( 1.406) : VIEEYDKYVVS : Loop ID = 745 : 1KQ1A.pdb.bin ( 29 - 39) INFO : 463 -15.408 = -10.000 - 80.50 * 0.259^2 ( 1.409) : QVVGEHSGHKV : Loop ID = 751 : 1XER_.pdb.bin ( 10 - 20) INFO : 464 -15.445 = -8.000 - 80.50 * 0.304^2 ( 0.828) : DISRTDGGRML : Loop ID = 208 : 1F44A.pdb.bin ( 164 - 174) INFO : 465 -15.478 = -8.000 - 80.50 * 0.305^2 ( 1.632) : GVKTSSTGLVY : Loop ID = 867 : 1Q6HA.pdb.bin ( 98 - 108) INFO : 466 -15.481 = -9.000 - 80.50 * 0.284^2 ( 0.736) : LYQEGAFGVRL : Loop ID = 149 : 1HK8A.pdb.bin ( 344 - 354) INFO : 467 -15.564 = -9.000 - 80.50 * 0.286^2 ( 1.547) : VTIADGPMAGL : Loop ID = 823 : 1Y25A.pdb.bin ( 116 - 126) INFO : 468 -15.591 = -13.000 - 80.50 * 0.179^2 ( 1.017) : PVVGSLDGQSI : Loop ID = 372 : 1O9ZA.pdb.bin ( 56 - 66) INFO : 469 -15.601 = -11.000 - 80.50 * 0.239^2 ( 1.218) : GLIQNGDWTFQ : Loop ID = 580 : 1AQDB.pdb.bin ( 142 - 152) INFO : 470 -15.629 = -9.000 - 80.50 * 0.287^2 ( 0.451) : KASDQASKVGS : Loop ID = 22 : 1DFMA.pdb.bin ( 32 - 42) INFO : 471 -15.647 = -8.000 - 80.50 * 0.308^2 ( 0.973) : ELIVDESNLRV : Loop ID = 340 : 1Q2LA.pdb.bin ( 500 - 510) INFO : 472 -15.670 = -9.000 - 80.50 * 0.288^2 ( 1.394) : YWVKKTSTDFE : Loop ID = 735 : 1CWVA.pdb.bin ( 448 - 458) INFO : 473 -15.750 = -9.000 - 80.50 * 0.290^2 ( 1.498) : RIVEKREDGIV : Loop ID = 808 : 1U8VA.pdb.bin ( 170 - 180) INFO : 474 -15.784 = -9.000 - 80.50 * 0.290^2 ( 1.451) : GIHRDRNGNRR : Loop ID = 780 : 4WBCA.pdb.bin ( 148 - 158) INFO : 475 -15.789 = -9.000 - 80.50 * 0.290^2 ( 1.577) : YFTYDPWIGKL : Loop ID = 835 : 2B5GA.pdb.bin ( 71 - 81) INFO : 476 -15.811 = -8.000 - 80.50 * 0.312^2 ( 1.878) : SPLLCEGVFRG : Loop ID = 987 : 1ORFA.pdb.bin ( 185 - 195) INFO : 477 -15.835 = -5.000 - 80.50 * 0.367^2 ( 1.853) : ETVARSRLFTV : Loop ID = 979 : 1VHZA.pdb.bin ( 14 - 24) INFO : 478 -15.849 = -8.000 - 80.50 * 0.312^2 ( 1.835) : TCVSDYMSIST : Loop ID = 974 : 1IARB.pdb.bin ( 7 - 17) INFO : 479 -15.890 = -8.000 - 80.50 * 0.313^2 ( 2.045) : EIKESDDEGLD : Loop ID = 1061 : 1XTMA.pdb.bin ( 19 - 29) INFO : 480 -15.909 = -10.000 - 80.50 * 0.271^2 ( 1.547) : PVENPSKGVYV : Loop ID = 822 : 1YGAA.pdb.bin ( 102 - 112) INFO : 481 -15.924 = -13.000 - 80.50 * 0.191^2 ( 0.953) : PVVGSLDGQSI : Loop ID = 326 : 1O9WA.pdb.bin ( 56 - 66) INFO : 482 -15.943 = -10.000 - 80.50 * 0.272^2 ( 0.821) : DVRLSKDGKVV : Loop ID = 207 : 1O1ZA.pdb.bin ( 38 - 48) INFO : 483 -16.051 = -10.000 - 80.50 * 0.274^2 ( 1.002) : KIVMREDRSVR : Loop ID = 363 : 1FIEA.pdb.bin ( 109 - 119) INFO : 484 -16.115 = -10.000 - 80.50 * 0.276^2 ( 1.481) : KIIEDLGKKKI : Loop ID = 797 : 1IXLA.pdb.bin ( 88 - 98) INFO : 485 -16.170 = -9.000 - 80.50 * 0.298^2 ( 1.714) : KIHVTNHTEYH : Loop ID = 912 : 1WWBX.pdb.bin ( 50 - 60) INFO : 486 -16.196 = -10.000 - 80.50 * 0.277^2 ( 1.153) : ETFETSDGTEV : Loop ID = 516 : 1VM9A.pdb.bin ( 16 - 26) INFO : 487 -16.205 = -12.000 - 80.50 * 0.229^2 ( 1.331) : ASTDFGNITSA : Loop ID = 675 : 1W1OA.pdb.bin ( 17 - 27) INFO : 488 -16.231 = -10.000 - 80.50 * 0.278^2 ( 1.067) : SFKVGQFGSLM : Loop ID = 425 : 1VQF_.pdb.bin ( 66 - 76) INFO : 489 -16.283 = -8.000 - 80.50 * 0.321^2 ( 1.429) : TLAGADHAIIP : Loop ID = 764 : 1FC4A.pdb.bin ( 311 - 321) INFO : 490 -16.319 = -10.000 - 80.50 * 0.280^2 ( 1.027) : SFKVGQFGSLM : Loop ID = 378 : 1VQI_.pdb.bin ( 66 - 76) INFO : 491 -16.321 = -8.000 - 80.50 * 0.322^2 ( 1.413) : DVRESADGVLY : Loop ID = 756 : 1ZCCA.pdb.bin ( 35 - 45) INFO : 492 -16.331 = -15.000 - 80.50 * 0.129^2 ( 0.596) : RENNFFGIPQA : Loop ID = 68 : 1CP9B.pdb.bin ( 454 - 464) INFO : 493 -16.334 = -12.000 - 80.50 * 0.232^2 ( 0.625) : TLMSTEEGRPH : Loop ID = 89 : 2F69A.pdb.bin ( 55 - 65) INFO : 494 -16.340 = -9.000 - 80.50 * 0.302^2 ( 1.900) : GTSKLDDANAT : Loop ID = 997 : 1N7RA.pdb.bin ( 472 - 482) INFO : 495 -16.350 = -8.000 - 80.50 * 0.322^2 ( 2.218) : LRKVSPSGIPH : Loop ID = 1127 : 1V1QA.pdb.bin ( 19 - 29) INFO : 496 -16.368 = -8.000 - 80.50 * 0.322^2 ( 0.900) : RVDRQGTGIWQ : Loop ID = 271 : 1YHQZ.pdb.bin ( 36 - 46) INFO : 497 -16.373 = -10.000 - 80.50 * 0.281^2 ( 1.028) : SFKVGQFGSLM : Loop ID = 379 : 1VQC_.pdb.bin ( 66 - 76) INFO : 498 -16.448 = -6.000 - 80.50 * 0.360^2 ( 1.999) : VQSTYPGSTYA : Loop ID = 1045 : 1GCI_.pdb.bin ( 198 - 208) INFO : 499 -16.531 = -10.000 - 80.50 * 0.285^2 ( 1.100) : SFKVGQFGSLM : Loop ID = 457 : 1VQA_.pdb.bin ( 66 - 76) INFO : 500 -16.549 = -9.000 - 80.50 * 0.306^2 ( 0.913) : GIHRDRNGNRR : Loop ID = 288 : 1XG6A.pdb.bin ( 152 - 162) INFO : 501 -16.555 = -10.000 - 80.50 * 0.285^2 ( 1.131) : SFKVGQFGSLM : Loop ID = 487 : 1VQD_.pdb.bin ( 66 - 76) INFO : 502 -16.568 = -7.000 - 80.50 * 0.345^2 ( 1.591) : KLKRAGTGIWM : Loop ID = 845 : 1JJ2Y.pdb.bin ( 36 - 46) INFO : 503 -16.575 = -12.000 - 80.50 * 0.238^2 ( 0.570) : SVEDVEDHRIK : Loop ID = 61 : 1OZ2A.pdb.bin ( 266 - 276) INFO : 504 -16.587 = -10.000 - 80.50 * 0.286^2 ( 1.063) : SFKVGQFGSLM : Loop ID = 421 : 1VQJ_.pdb.bin ( 66 - 76) INFO : 505 -16.598 = -15.000 - 80.50 * 0.141^2 ( 0.995) : PAVLQSSGLYS : Loop ID = 354 : 1S3KH.pdb.bin ( 165 - 175) INFO : 506 -16.621 = -8.000 - 80.50 * 0.327^2 ( 1.800) : KGVQSPYGQHL : Loop ID = 959 : 1QLAA.pdb.bin ( 315 - 325) INFO : 507 -16.628 = -15.000 - 80.50 * 0.142^2 ( 2.038) : KFMDKKTGVMD : Loop ID = 1059 : 1GCB_.pdb.bin ( 327 - 337) INFO : 508 -16.687 = -10.000 - 80.50 * 0.288^2 ( 1.251) : SFKVGQFGSLM : Loop ID = 606 : 1VQG_.pdb.bin ( 66 - 76) INFO : 509 -16.713 = -13.000 - 80.50 * 0.215^2 ( 1.760) : VIAELGERGVV : Loop ID = 939 : 1T9MA.pdb.bin ( 57 - 67) INFO : 510 -16.715 = -12.000 - 80.50 * 0.242^2 ( 0.877) : IFQKSERGGFR : Loop ID = 254 : 1ZY7A.pdb.bin ( 119 - 129) INFO : 511 -16.764 = -12.000 - 80.50 * 0.243^2 ( 0.753) : FLIKHGEHEGK : Loop ID = 158 : 1Y7PA.pdb.bin ( 30 - 40) INFO : 512 -16.807 = -5.000 - 80.50 * 0.383^2 ( 1.994) : TLTALPDGTYG : Loop ID = 1039 : 1WCQA.pdb.bin ( 325 - 335) INFO : 513 -16.879 = -4.000 - 80.50 * 0.400^2 ( 1.011) : VYSTYPTNTYA : Loop ID = 366 : 1SCNE.pdb.bin ( 203 - 213) INFO : 514 -16.890 = -8.000 - 80.50 * 0.332^2 ( 1.800) : RIMEHFRVHTR : Loop ID = 958 : 1V9FA.pdb.bin ( 136 - 146) INFO : 515 -16.936 = -9.000 - 80.50 * 0.314^2 ( 1.956) : GTSSLEGQYGM : Loop ID = 1020 : 1HN0A.pdb.bin ( 673 - 683) INFO : 516 -16.943 = -6.000 - 80.50 * 0.369^2 ( 0.803) : VLKAGYGGVKC : Loop ID = 195 : 1DE0A.pdb.bin ( 74 - 84) INFO : 517 -16.946 = -12.000 - 80.50 * 0.248^2 ( 0.524) : RLFHKSDGSTV : Loop ID = 40 : 1DVMA.pdb.bin ( 183 - 193) INFO : 518 -16.947 = -8.000 - 80.50 * 0.333^2 ( 1.237) : FYPRRTEDDWE : Loop ID = 596 : 2B06A.pdb.bin ( 135 - 145) INFO : 519 -16.949 = -9.000 - 80.50 * 0.314^2 ( 1.171) : CRGHAAGDYYA : Loop ID = 533 : 1JTGB.pdb.bin ( 41 - 51) INFO : 520 -16.951 = -9.000 - 80.50 * 0.314^2 ( 2.060) : GIHRDRNGNRR : Loop ID = 1066 : 1FN0A.pdb.bin ( 148 - 158) INFO : 521 -16.959 = -15.000 - 80.50 * 0.156^2 ( 1.348) : KFMDKKTGVMD : Loop ID = 696 : 3GCB_.pdb.bin ( 333 - 343) INFO : 522 -16.977 = -10.000 - 80.50 * 0.294^2 ( 1.170) : SFKVGQFGSLM : Loop ID = 531 : 1VQH_.pdb.bin ( 66 - 76) INFO : 523 -16.989 = -7.000 - 80.50 * 0.352^2 ( 2.157) : TVMYADDSSAL : Loop ID = 1111 : 1SY2A.pdb.bin ( 107 - 117) INFO : 524 -17.019 = -13.000 - 80.50 * 0.223^2 ( 0.748) : ELIQDAGGGVR : Loop ID = 152 : 1SE8A.pdb.bin ( 96 - 106) INFO : 525 -17.027 = -9.000 - 80.50 * 0.316^2 ( 1.233) : NDAVDNAGQEY : Loop ID = 590 : 3PVIA.pdb.bin ( 55 - 65) INFO : 526 -17.032 = -14.000 - 80.50 * 0.194^2 ( 1.263) : ETRPAGDRTFQ : Loop ID = 614 : 2BVPA.pdb.bin ( 231 - 241) INFO : 527 -17.051 = -11.000 - 80.50 * 0.274^2 ( 1.686) : EILWSKEDGYT : Loop ID = 898 : 1QXOA.pdb.bin ( 267 - 277) INFO : 528 -17.083 = -10.000 - 80.50 * 0.297^2 ( 1.111) : SVTDVVDSRFL : Loop ID = 474 : 1OZ2A.pdb.bin ( 162 - 172) INFO : 529 -17.139 = -12.000 - 80.50 * 0.253^2 ( 1.346) : GKLLVEPFKGL : Loop ID = 694 : 1UDZA.pdb.bin ( 144 - 154) INFO : 530 -17.146 = -9.000 - 80.50 * 0.318^2 ( 1.594) : SVTGSVDGVVL : Loop ID = 848 : 1D7YA.pdb.bin ( 204 - 214) INFO : 531 -17.161 = -10.000 - 80.50 * 0.298^2 ( 1.161) : SFKVGQFGSLM : Loop ID = 523 : 1VQE_.pdb.bin ( 66 - 76) INFO : 532 -17.233 = -10.000 - 80.50 * 0.300^2 ( 1.808) : KEVKDSSGRSK : Loop ID = 963 : 1NTYA.pdb.bin ( 230 - 240) INFO : 533 -17.310 = -15.000 - 80.50 * 0.169^2 ( 0.354) : GATQNQYGEFD : Loop ID = 11 : 3CMS_.pdb.bin ( 236 - 246) INFO : 534 -17.332 = -7.000 - 80.50 * 0.358^2 ( 2.253) : TVMYADDSSAL : Loop ID = 1138 : 1SXWA.pdb.bin ( 107 - 117) INFO : 535 -17.338 = -15.000 - 80.50 * 0.170^2 ( 1.444) : GGTREGEGVYR : Loop ID = 775 : 1V8CA.pdb.bin ( 108 - 118) INFO : 536 -17.367 = -12.000 - 80.50 * 0.258^2 ( 1.350) : GKLLVEPFKGL : Loop ID = 700 : 1WNYA.pdb.bin ( 145 - 155) INFO : 537 -17.390 = -15.000 - 80.50 * 0.172^2 ( 1.192) : PAVLQSSGLYS : Loop ID = 556 : 8FABB.pdb.bin ( 166 - 176) INFO : 538 -17.405 = -9.000 - 80.50 * 0.323^2 ( 1.623) : YFTYDPWIGKL : Loop ID = 863 : 2B3UA.pdb.bin ( 68 - 78) INFO : 539 -17.442 = -12.000 - 80.50 * 0.260^2 ( 1.593) : FWLDLQPQAKV : Loop ID = 847 : 1YRKA.pdb.bin ( 106 - 116) INFO : 540 -17.454 = -12.000 - 80.50 * 0.260^2 ( 2.132) : GKLLVEPFKGL : Loop ID = 1099 : 1UE0A.pdb.bin ( 146 - 156) INFO : 541 -17.471 = -6.000 - 80.50 * 0.377^2 ( 1.677) : NVAIVCENEQL : Loop ID = 891 : 1AMUA.pdb.bin ( 38 - 48) INFO : 542 -17.488 = -12.000 - 80.50 * 0.261^2 ( 0.790) : SLAEIEGWGMV : Loop ID = 181 : 2BMIA.pdb.bin ( 21 - 31) INFO : 543 -17.506 = -9.000 - 80.50 * 0.325^2 ( 1.686) : TQLMNRDNIEI : Loop ID = 897 : 1EUVA.pdb.bin ( 24 - 34) INFO : 544 -17.521 = -15.000 - 80.50 * 0.177^2 ( 1.005) : PAVLQSSGLYS : Loop ID = 364 : 1VGEH.pdb.bin ( 175 - 185) INFO : 545 -17.522 = -12.000 - 80.50 * 0.262^2 ( 0.851) : NYLVDVDGNRM : Loop ID = 225 : 1OHVA.pdb.bin ( 44 - 54) INFO : 546 -17.530 = -14.000 - 80.50 * 0.209^2 ( 1.312) : ETRPAGDRTFQ : Loop ID = 660 : 1ZHLA.pdb.bin ( 231 - 241) INFO : 547 -17.537 = -15.000 - 80.50 * 0.178^2 ( 0.999) : PAVLQSSGLYS : Loop ID = 360 : 1UM5H.pdb.bin ( 170 - 180) INFO : 548 -17.580 = -12.000 - 80.50 * 0.263^2 ( 1.281) : LTVAVPNGSRR : Loop ID = 632 : 2PIA_.pdb.bin ( 44 - 54) INFO : 549 -17.597 = -11.000 - 80.50 * 0.286^2 ( 1.049) : QQNQASCGKRA : Loop ID = 401 : 1F2LA.pdb.bin ( 23 - 33) INFO : 550 -17.615 = -13.000 - 80.50 * 0.239^2 ( 1.822) : WYQHLSGTAPK : Loop ID = 967 : 1BJMA.pdb.bin ( 34 - 44) INFO : 551 -17.627 = -14.000 - 80.50 * 0.212^2 ( 1.822) : ETRPAGDRTFQ : Loop ID = 969 : 2BSSA.pdb.bin ( 231 - 241) INFO : 552 -17.668 = -13.000 - 80.50 * 0.241^2 ( 0.596) : SQVKLFDGSLA : Loop ID = 69 : 1CMJA.pdb.bin ( 27 - 37) INFO : 553 -17.676 = -16.000 - 80.50 * 0.144^2 ( 1.389) : GRYRKDFAKPE : Loop ID = 732 : 2B9VA.pdb.bin ( 516 - 526) INFO : 554 -17.678 = -9.000 - 80.50 * 0.328^2 ( 1.495) : EVIRVMGEWAD : Loop ID = 807 : 1HH2P.pdb.bin ( 140 - 150) INFO : 555 -17.707 = -11.000 - 80.50 * 0.289^2 ( 1.426) : KSYELPDGQVI : Loop ID = 760 : 1QZ5A.pdb.bin ( 220 - 230) INFO : 556 -17.715 = -14.000 - 80.50 * 0.215^2 ( 1.802) : WQECTAPGSCT : Loop ID = 960 : 1Q9HA.pdb.bin ( 14 - 24) INFO : 557 -17.727 = -15.000 - 80.50 * 0.184^2 ( 1.373) : PAVLQSSGLYS : Loop ID = 714 : 1RZGA.pdb.bin ( 175 - 185) INFO : 558 -17.741 = -8.000 - 80.50 * 0.348^2 ( 1.086) : RVDRQGTGIWQ : Loop ID = 443 : 1VQOZ.pdb.bin ( 36 - 46) INFO : 559 -17.753 = -8.000 - 80.50 * 0.348^2 ( 1.385) : VTTIPTVGFNV : Loop ID = 727 : 1E0SA.pdb.bin ( 37 - 47) INFO : 560 -17.764 = -10.000 - 80.50 * 0.311^2 ( 2.008) : HFKPDRTHTGT : Loop ID = 1049 : 1TVV_.pdb.bin ( 17 - 27) INFO : 561 -17.784 = -5.000 - 80.50 * 0.398^2 ( 1.930) : TLADSCSAIQP : Loop ID = 1009 : 1DJEA.pdb.bin ( 310 - 320) INFO : 562 -17.797 = -12.000 - 80.50 * 0.268^2 ( 1.721) : CYRCGVSGCHL : Loop ID = 918 : 1F94A.pdb.bin ( 2 - 12) INFO : 563 -17.820 = -7.000 - 80.50 * 0.367^2 ( 1.966) : CMEKDEKGQEY : Loop ID = 1027 : 1SP8A.pdb.bin ( 350 - 360) INFO : 564 -17.823 = -15.000 - 80.50 * 0.187^2 ( 1.359) : PAVLQSSGLYS : Loop ID = 706 : 1CZ8H.pdb.bin ( 170 - 180) INFO : 565 -17.850 = -14.000 - 80.50 * 0.219^2 ( 0.456) : GWVQSYGSRCV : Loop ID = 23 : 1U1JA.pdb.bin ( 489 - 499) INFO : 566 -17.862 = -15.000 - 80.50 * 0.189^2 ( 0.611) : RNFLAGEKDNV : Loop ID = 80 : 1UIJA.pdb.bin ( 331 - 341) INFO : 567 -17.892 = -15.000 - 80.50 * 0.190^2 ( 0.871) : YRLRQADGSTV : Loop ID = 249 : 1FM2B.pdb.bin ( 101 - 111) INFO : 568 -17.917 = -15.000 - 80.50 * 0.190^2 ( 0.320) : SPEILGYPYKM : Loop ID = 7 : 1AORA.pdb.bin ( 454 - 464) INFO : 569 -17.919 = -9.000 - 80.50 * 0.333^2 ( 2.100) : VTTIPTIGFNV : Loop ID = 1086 : 2B6HA.pdb.bin ( 38 - 48) INFO : 570 -17.941 = -10.000 - 80.50 * 0.314^2 ( 1.309) : SFKVGQFGSLM : Loop ID = 658 : 1YHB_.pdb.bin ( 66 - 76) INFO : 571 -17.962 = -14.000 - 80.50 * 0.222^2 ( 1.175) : ETRPAGDRTFQ : Loop ID = 540 : 1N2RA.pdb.bin ( 231 - 241) INFO : 572 -17.966 = -6.000 - 80.50 * 0.386^2 ( 1.610) : VLKAGYGGVKC : Loop ID = 854 : 2AFHE.pdb.bin ( 74 - 84) INFO : 573 -17.969 = -12.000 - 80.50 * 0.272^2 ( 1.144) : ENAGSWFWWGA : Loop ID = 499 : 2BVYA.pdb.bin ( 170 - 180) INFO : 574 -17.975 = -12.000 - 80.50 * 0.272^2 ( 1.057) : DLVMTKDDNLV : Loop ID = 410 : 1YDYA.pdb.bin ( 36 - 46) INFO : 575 -17.980 = -10.000 - 80.50 * 0.315^2 ( 1.376) : KIVMREDRSVR : Loop ID = 716 : 1EX0A.pdb.bin ( 115 - 125) INFO : 576 -17.997 = -10.000 - 80.50 * 0.315^2 ( 1.650) : TLFKTQTGELS : Loop ID = 880 : 1E1OA.pdb.bin ( 115 - 125) INFO : 577 -18.015 = -15.000 - 80.50 * 0.194^2 ( 1.615) : PAVLQSSGLYS : Loop ID = 857 : 1FVDB.pdb.bin ( 173 - 183) INFO : 578 -18.031 = -13.000 - 80.50 * 0.250^2 ( 0.437) : SQVKLFDGSLA : Loop ID = 19 : 1CMNA.pdb.bin ( 27 - 37) INFO : 579 -18.064 = -15.000 - 80.50 * 0.195^2 ( 1.349) : GAQEDEYGQFL : Loop ID = 699 : 1HTRB.pdb.bin ( 237 - 247) INFO : 580 -18.102 = -12.000 - 80.50 * 0.275^2 ( 0.977) : RVFTHSDGTPQ : Loop ID = 342 : 1UZXA.pdb.bin ( 42 - 52) INFO : 581 -18.120 = -14.000 - 80.50 * 0.226^2 ( 1.339) : ETRPAGDRTFQ : Loop ID = 687 : 1XR9A.pdb.bin ( 231 - 241) INFO : 582 -18.139 = -14.000 - 80.50 * 0.227^2 ( 0.972) : HRGAPLKAKEN : Loop ID = 339 : 1VD6A.pdb.bin ( 6 - 16) INFO : 583 -18.144 = -15.000 - 80.50 * 0.198^2 ( 0.861) : PLTNYLDSQYF : Loop ID = 236 : 4CMS_.pdb.bin ( 6 - 16) INFO : 584 -18.154 = -14.000 - 80.50 * 0.227^2 ( 0.604) : NPIDWLGGKKV : Loop ID = 75 : 1VK2A.pdb.bin ( 142 - 152) INFO : 585 -18.154 = -13.000 - 80.50 * 0.253^2 ( 1.688) : RIAITCGNTHW : Loop ID = 899 : 1MDBA.pdb.bin ( 40 - 50) INFO : 586 -18.162 = -15.000 - 80.50 * 0.198^2 ( 0.781) : YRLRQADGTTV : Loop ID = 176 : 1GK1B.pdb.bin ( 103 - 113) INFO : 587 -18.163 = -13.000 - 80.50 * 0.253^2 ( 0.735) : SQVKLFDGSLA : Loop ID = 148 : 1ULWA.pdb.bin ( 27 - 37) INFO : 588 -18.168 = -12.000 - 80.50 * 0.277^2 ( 0.772) : RLFHKSDGSTV : Loop ID = 168 : 1A7CA.pdb.bin ( 185 - 195) INFO : 589 -18.209 = -15.000 - 80.50 * 0.200^2 ( 1.091) : PAVLQSSGLYS : Loop ID = 448 : 1D6VH.pdb.bin ( 173 - 183) INFO : 590 -18.248 = -14.000 - 80.50 * 0.230^2 ( 1.352) : ETRPAGDRTFQ : Loop ID = 701 : 1E27A.pdb.bin ( 231 - 241) INFO : 591 -18.256 = -10.000 - 80.50 * 0.320^2 ( 1.169) : SFKVGQFGSLM : Loop ID = 530 : 1AE2_.pdb.bin ( 66 - 76) INFO : 592 -18.281 = -12.000 - 80.50 * 0.279^2 ( 1.930) : TDIALPDGRTI : Loop ID = 1011 : 1ODOA.pdb.bin ( 287 - 297) INFO : 593 -18.281 = -14.000 - 80.50 * 0.231^2 ( 1.482) : ETRPAGDRTFQ : Loop ID = 800 : 1K5NA.pdb.bin ( 231 - 241) INFO : 594 -18.304 = -8.000 - 80.50 * 0.358^2 ( 1.491) : RVDRQGTGIWQ : Loop ID = 806 : 1S72Z.pdb.bin ( 36 - 46) INFO : 595 -18.312 = -15.000 - 80.50 * 0.203^2 ( 0.860) : ETRPAGDGTFQ : Loop ID = 235 : 1QO3A.pdb.bin ( 230 - 240) INFO : 596 -18.312 = -13.000 - 80.50 * 0.257^2 ( 1.102) : TTITKNDNSPV : Loop ID = 462 : 1KA1A.pdb.bin ( 33 - 43) INFO : 597 -18.319 = -10.000 - 80.50 * 0.321^2 ( 1.211) : SFKVGQFGSLM : Loop ID = 571 : 1AE3_.pdb.bin ( 66 - 76) INFO : 598 -18.358 = -14.000 - 80.50 * 0.233^2 ( 1.499) : SFEEVNGWGVV : Loop ID = 809 : 1WUOA.pdb.bin ( 18 - 28) INFO : 599 -18.377 = -14.000 - 80.50 * 0.233^2 ( 1.297) : ETRPAGDRTFQ : Loop ID = 646 : 1M6OA.pdb.bin ( 231 - 241) INFO : 600 -18.381 = -9.000 - 80.50 * 0.341^2 ( 2.268) : EILGFGGMSEV : Loop ID = 1143 : 1O6YA.pdb.bin ( 12 - 22) INFO : 601 -18.399 = -7.000 - 80.50 * 0.376^2 ( 0.623) : TLVKTITDDQI : Loop ID = 88 : 2VIUA.pdb.bin ( 15 - 25) INFO : 602 -18.402 = -15.000 - 80.50 * 0.206^2 ( 1.968) : PAVLQSSGLYS : Loop ID = 1029 : 1JPTH.pdb.bin ( 165 - 175) INFO : 603 -18.413 = -13.000 - 80.50 * 0.259^2 ( 2.005) : CAVYGSSFKAY : Loop ID = 1048 : 1HQ8A.pdb.bin ( 95 - 105) INFO : 604 -18.434 = -14.000 - 80.50 * 0.235^2 ( 1.186) : ETRPAGDRTFQ : Loop ID = 549 : 1SYVA.pdb.bin ( 231 - 241) INFO : 605 -18.443 = -12.000 - 80.50 * 0.283^2 ( 2.273) : GSISNSGRWMQ : Loop ID = 1146 : 1H0HA.pdb.bin ( 578 - 588) INFO : 606 -18.488 = -11.000 - 80.50 * 0.305^2 ( 0.787) : KCRMNKKNKPR : Loop ID = 178 : 1LR7A.pdb.bin ( 12 - 22) INFO : 607 -18.496 = -8.000 - 80.50 * 0.361^2 ( 0.599) : DISRTDGGRML : Loop ID = 71 : 2CRXA.pdb.bin ( 165 - 175) INFO : 608 -18.514 = -15.000 - 80.50 * 0.209^2 ( 1.961) : PAVLQSSGLYS : Loop ID = 1022 : 1OP3H.pdb.bin ( 176 - 186) INFO : 609 -18.534 = -16.000 - 80.50 * 0.177^2 ( 1.178) : RSVYDSRGNPT : Loop ID = 543 : 1P43A.pdb.bin ( 7 - 17) INFO : 610 -18.537 = -11.000 - 80.50 * 0.306^2 ( 1.241) : NSRVDSSGRIV : Loop ID = 600 : 1TP5A.pdb.bin ( 102 - 112) INFO : 611 -18.547 = -12.000 - 80.50 * 0.285^2 ( 1.743) : KIDLIDGKGRG : Loop ID = 930 : 1ZKKA.pdb.bin ( 26 - 36) INFO : 612 -18.612 = -14.000 - 80.50 * 0.239^2 ( 0.928) : ETRPAGDRTFQ : Loop ID = 298 : 1A1NA.pdb.bin ( 231 - 241) INFO : 613 -18.615 = -13.000 - 80.50 * 0.264^2 ( 1.851) : KKYVATLGVEV : Loop ID = 978 : 1I2MA.pdb.bin ( 24 - 34) INFO : 614 -18.629 = -13.000 - 80.50 * 0.264^2 ( 0.523) : SQVKLFDGSLA : Loop ID = 39 : 1F24A.pdb.bin ( 27 - 37) INFO : 615 -18.634 = -13.000 - 80.50 * 0.265^2 ( 0.750) : KTTMVSNRLRL : Loop ID = 155 : 1WCHA.pdb.bin ( 159 - 169) INFO : 616 -18.641 = -10.000 - 80.50 * 0.328^2 ( 2.138) : VSVEVPGIGRV : Loop ID = 1102 : 2AZPA.pdb.bin ( 144 - 154) INFO : 617 -18.650 = -15.000 - 80.50 * 0.213^2 ( 1.334) : ELQVESLGKYT : Loop ID = 677 : 1SXWA.pdb.bin ( 72 - 82) INFO : 618 -18.661 = -11.000 - 80.50 * 0.308^2 ( 0.955) : NEIYRDDYVSF : Loop ID = 327 : 1FY7A.pdb.bin ( 64 - 74) INFO : 619 -18.674 = -11.000 - 80.50 * 0.309^2 ( 0.960) : NEIYRDDYVSF : Loop ID = 330 : 1MJBA.pdb.bin ( 64 - 74) INFO : 620 -18.739 = -10.000 - 80.50 * 0.329^2 ( 1.466) : GPLICNGIFQG : Loop ID = 787 : 1BQYA.pdb.bin ( 181 - 191) INFO : 621 -18.758 = -5.000 - 80.50 * 0.413^2 ( 1.981) : SRIKGGMSNML : Loop ID = 1033 : 1NW1A.pdb.bin ( 47 - 57) INFO : 622 -18.758 = -16.000 - 80.50 * 0.185^2 ( 1.473) : RSVYDSRGNPT : Loop ID = 792 : 1P48A.pdb.bin ( 7 - 17) INFO : 623 -18.785 = -12.000 - 80.50 * 0.290^2 ( 1.187) : TEAIGARGERI : Loop ID = 551 : 2AZOA.pdb.bin ( 182 - 192) INFO : 624 -18.813 = -15.000 - 80.50 * 0.218^2 ( 0.288) : LMLQSANDGVL : Loop ID = 5 : 2EZVA.pdb.bin ( 141 - 151) INFO : 625 -18.818 = -12.000 - 80.50 * 0.291^2 ( 0.984) : PVFERADGTAV : Loop ID = 345 : 2ADVC.pdb.bin ( 98 - 108) INFO : 626 -18.818 = -15.000 - 80.50 * 0.218^2 ( 0.776) : ELQVESLGKYT : Loop ID = 171 : 1X8QA.pdb.bin ( 72 - 82) INFO : 627 -18.821 = -15.000 - 80.50 * 0.218^2 ( 0.808) : ELQVESLGKYT : Loop ID = 199 : 1SY3A.pdb.bin ( 72 - 82) INFO : 628 -18.848 = -13.000 - 80.50 * 0.270^2 ( 1.767) : DVLYESDDTLI : Loop ID = 943 : 1EARA.pdb.bin ( 58 - 68) INFO : 629 -18.867 = -8.000 - 80.50 * 0.367^2 ( 2.064) : RCISSDNSTSV : Loop ID = 1070 : 1QEXA.pdb.bin ( 148 - 158) INFO : 630 -18.867 = -15.000 - 80.50 * 0.219^2 ( 1.407) : PAVLQSSGLYS : Loop ID = 748 : 3FCTB.pdb.bin ( 167 - 177) INFO : 631 -18.876 = -13.000 - 80.50 * 0.270^2 ( 0.607) : SQVKLFDGSLA : Loop ID = 77 : 1F25A.pdb.bin ( 27 - 37) INFO : 632 -18.883 = -13.000 - 80.50 * 0.270^2 ( 1.060) : RVLDMQDGSIV : Loop ID = 417 : 1KHIA.pdb.bin ( 80 - 90) INFO : 633 -18.891 = -12.000 - 80.50 * 0.293^2 ( 1.364) : ETVTIKGGYRV : Loop ID = 711 : 1DUSA.pdb.bin ( 175 - 185) INFO : 634 -18.909 = -15.000 - 80.50 * 0.220^2 ( 1.698) : PAVLQSSGLYS : Loop ID = 901 : 1IQDB.pdb.bin ( 161 - 171) INFO : 635 -18.918 = -15.000 - 80.50 * 0.221^2 ( 1.679) : ETRPAGDGTFQ : Loop ID = 893 : 1HHKA.pdb.bin ( 231 - 241) INFO : 636 -18.934 = -8.000 - 80.50 * 0.369^2 ( 1.987) : KIIESNKKSVK : Loop ID = 1036 : 1VHYA.pdb.bin ( 49 - 59) INFO : 637 -18.934 = -15.000 - 80.50 * 0.221^2 ( 1.153) : ELQVESLGKYT : Loop ID = 515 : 1SY2A.pdb.bin ( 72 - 82) INFO : 638 -18.951 = -12.000 - 80.50 * 0.294^2 ( 1.585) : DTAYDEVGNSG : Loop ID = 843 : 1JQPA.pdb.bin ( 47 - 57) INFO : 639 -18.986 = -13.000 - 80.50 * 0.273^2 ( 1.584) : GVYGCGERRYS : Loop ID = 841 : 2NAPA.pdb.bin ( 465 - 475) INFO : 640 -19.012 = -11.000 - 80.50 * 0.315^2 ( 1.062) : QSTTVEQSHTK : Loop ID = 418 : 1OLZA.pdb.bin ( 316 - 326) INFO : 641 -19.026 = -14.000 - 80.50 * 0.250^2 ( 1.382) : ETRPAGDRTFQ : Loop ID = 725 : 2A83A.pdb.bin ( 231 - 241) INFO : 642 -19.030 = -12.000 - 80.50 * 0.296^2 ( 1.635) : GKLLVEPFKGL : Loop ID = 869 : 1ILE_.pdb.bin ( 346 - 356) INFO : 643 -19.036 = -10.000 - 80.50 * 0.335^2 ( 1.744) : HFKPDRTHTGT : Loop ID = 931 : 1JMF_.pdb.bin ( 17 - 27) INFO : 644 -19.042 = -13.000 - 80.50 * 0.274^2 ( 0.538) : SQVKLFDGSLA : Loop ID = 45 : 1XQDA.pdb.bin ( 27 - 37) INFO : 645 -19.042 = -13.000 - 80.50 * 0.274^2 ( 2.282) : GMRRTNDGKCI : Loop ID = 1149 : 1EAIC.pdb.bin ( 44 - 54) INFO : 646 -19.053 = -11.000 - 80.50 * 0.316^2 ( 1.402) : EVINSSTEGLL : Loop ID = 742 : 1ACC_.pdb.bin ( 547 - 557) INFO : 647 -19.085 = -13.000 - 80.50 * 0.275^2 ( 1.599) : ETATAGEWQGK : Loop ID = 850 : 1Y7AA.pdb.bin ( 212 - 222) INFO : 648 -19.086 = -13.000 - 80.50 * 0.275^2 ( 0.621) : SQVKLFDGSLA : Loop ID = 86 : 1JFBA.pdb.bin ( 27 - 37) INFO : 649 -19.112 = -13.000 - 80.50 * 0.276^2 ( 1.113) : ETATAGEWQGK : Loop ID = 477 : 1AJAA.pdb.bin ( 212 - 222) INFO : 650 -19.114 = -12.000 - 80.50 * 0.297^2 ( 0.931) : PVFERADGTAV : Loop ID = 302 : 2AE5B.pdb.bin ( 126 - 136) INFO : 651 -19.126 = -15.000 - 80.50 * 0.226^2 ( 0.620) : ETRPAGDGTFQ : Loop ID = 85 : 1VGKA.pdb.bin ( 231 - 241) INFO : 652 -19.128 = -12.000 - 80.50 * 0.298^2 ( 1.043) : PVFERADGTAV : Loop ID = 396 : 2AE3B.pdb.bin ( 126 - 136) INFO : 653 -19.131 = -13.000 - 80.50 * 0.276^2 ( 1.280) : ETATAGEWQGK : Loop ID = 631 : 1HQAA.pdb.bin ( 209 - 219) INFO : 654 -19.158 = -12.000 - 80.50 * 0.298^2 ( 1.059) : RLAELSSRALL : Loop ID = 412 : 1Z54A.pdb.bin ( 77 - 87) INFO : 655 -19.163 = -12.000 - 80.50 * 0.298^2 ( 1.066) : RLFHKSDGSTV : Loop ID = 424 : 1OC0A.pdb.bin ( 181 - 191) INFO : 656 -19.204 = -17.000 - 80.50 * 0.165^2 ( 1.112) : VFLPREDHLFR : Loop ID = 476 : 1SJHA.pdb.bin ( 132 - 142) INFO : 657 -19.208 = -15.000 - 80.50 * 0.229^2 ( 0.944) : ETRPAGDGTFQ : Loop ID = 314 : 2AV1A.pdb.bin ( 231 - 241) INFO : 658 -19.223 = -9.000 - 80.50 * 0.356^2 ( 2.023) : ERFVSEDGIDN : Loop ID = 1053 : 1JU2A.pdb.bin ( 86 - 96) INFO : 659 -19.227 = -14.000 - 80.50 * 0.255^2 ( 1.725) : ETRPAGDRTFQ : Loop ID = 920 : 1M05A.pdb.bin ( 223 - 233) INFO : 660 -19.227 = -13.000 - 80.50 * 0.278^2 ( 0.837) : SQVKLFDGSLA : Loop ID = 216 : 1F26A.pdb.bin ( 27 - 37) INFO : 661 -19.231 = -17.000 - 80.50 * 0.166^2 ( 0.868) : VFLPREDHLFR : Loop ID = 243 : 1PYWA.pdb.bin ( 132 - 142) INFO : 662 -19.236 = -15.000 - 80.50 * 0.229^2 ( 1.803) : PAVLQSSGLYS : Loop ID = 961 : 1NGXB.pdb.bin ( 167 - 177) INFO : 663 -19.282 = -11.000 - 80.50 * 0.321^2 ( 1.120) : NEIYRDDYVSF : Loop ID = 482 : 1MJ9A.pdb.bin ( 64 - 74) INFO : 664 -19.287 = -14.000 - 80.50 * 0.256^2 ( 1.338) : LVYQDSYGTFT : Loop ID = 685 : 1NOWA.pdb.bin ( 109 - 119) INFO : 665 -19.303 = -9.000 - 80.50 * 0.358^2 ( 1.353) : TILEANKQGIQ : Loop ID = 703 : 1FMTA.pdb.bin ( 256 - 266) INFO : 666 -19.308 = -15.000 - 80.50 * 0.231^2 ( 1.729) : PAVLQSSGLYS : Loop ID = 923 : 1NGZB.pdb.bin ( 167 - 177) INFO : 667 -19.315 = -13.000 - 80.50 * 0.280^2 ( 1.867) : EIGWSEGKGYF : Loop ID = 984 : 1Q1LA.pdb.bin ( 244 - 254) INFO : 668 -19.319 = -12.000 - 80.50 * 0.302^2 ( 1.324) : ILLDEQAQWKH : Loop ID = 669 : 1ZXQ_.pdb.bin ( 42 - 52) INFO : 669 -19.328 = -14.000 - 80.50 * 0.257^2 ( 0.491) : TIGDVKGDEVH : Loop ID = 30 : 2BIVA.pdb.bin ( 161 - 171) INFO : 670 -19.335 = -17.000 - 80.50 * 0.170^2 ( 1.108) : VFLPREDHLFR : Loop ID = 471 : 1FV1A.pdb.bin ( 133 - 143) INFO : 671 -19.360 = -15.000 - 80.50 * 0.233^2 ( 0.830) : VFEMNDEGKAQ : Loop ID = 210 : 1SJ1A.pdb.bin ( 23 - 33) INFO : 672 -19.366 = -13.000 - 80.50 * 0.281^2 ( 1.119) : VLQASNGNTLT : Loop ID = 481 : 1RLEA.pdb.bin ( 85 - 95) INFO : 673 -19.376 = -15.000 - 80.50 * 0.233^2 ( 1.704) : ETRPAGDGTFQ : Loop ID = 908 : 1R3HA.pdb.bin ( 203 - 213) INFO : 674 -19.377 = -13.000 - 80.50 * 0.281^2 ( 1.289) : MSGKDKNGNTI : Loop ID = 640 : 1QJVA.pdb.bin ( 281 - 291) INFO : 675 -19.411 = -14.000 - 80.50 * 0.259^2 ( 0.999) : RFSTQEYGKPC : Loop ID = 358 : 1QR0A.pdb.bin ( 66 - 76) INFO : 676 -19.419 = -10.000 - 80.50 * 0.342^2 ( 1.308) : EVVAREGARTR : Loop ID = 655 : 2D4RA.pdb.bin ( 36 - 46) INFO : 677 -19.443 = -14.000 - 80.50 * 0.260^2 ( 0.676) : KSYCNDQSTGD : Loop ID = 113 : 1BZYA.pdb.bin ( 98 - 108) INFO : 678 -19.446 = -14.000 - 80.50 * 0.260^2 ( 1.288) : ETRPAGDRTFQ : Loop ID = 638 : 1A9EA.pdb.bin ( 231 - 241) INFO : 679 -19.455 = -11.000 - 80.50 * 0.324^2 ( 1.701) : DAFYTDSNTIA : Loop ID = 907 : 2AAA_.pdb.bin ( 384 - 394) INFO : 680 -19.473 = -17.000 - 80.50 * 0.175^2 ( 1.327) : VFLPRDDHLFR : Loop ID = 671 : 1I3RA.pdb.bin ( 135 - 145) INFO : 681 -19.516 = -14.000 - 80.50 * 0.262^2 ( 1.314) : ETRPAGDRTFQ : Loop ID = 662 : 1A1OA.pdb.bin ( 231 - 241) INFO : 682 -19.517 = -16.000 - 80.50 * 0.209^2 ( 2.169) : RSVYDSRGNPT : Loop ID = 1113 : 1ONEA.pdb.bin ( 7 - 17) INFO : 683 -19.519 = -17.000 - 80.50 * 0.177^2 ( 1.481) : REVLDSRGNPT : Loop ID = 798 : 1OEPA.pdb.bin ( 10 - 20) INFO : 684 -19.538 = -15.000 - 80.50 * 0.237^2 ( 0.703) : RSDVHDFNVIS : Loop ID = 124 : 1JLYA.pdb.bin ( 246 - 256) INFO : 685 -19.540 = -15.000 - 80.50 * 0.237^2 ( 0.949) : ETRPAGDGTFQ : Loop ID = 317 : 1I4FA.pdb.bin ( 231 - 241) INFO : 686 -19.558 = -13.000 - 80.50 * 0.285^2 ( 1.264) : ETATAGEWQGK : Loop ID = 615 : 1URAA.pdb.bin ( 209 - 219) INFO : 687 -19.567 = -15.000 - 80.50 * 0.238^2 ( 0.745) : ETRPAGDGTFQ : Loop ID = 150 : 1S7QA.pdb.bin ( 231 - 241) INFO : 688 -19.588 = -11.000 - 80.50 * 0.327^2 ( 1.165) : PFYVTPEGEAR : Loop ID = 525 : 1UIRA.pdb.bin ( 294 - 304) INFO : 689 -19.597 = -10.000 - 80.50 * 0.345^2 ( 1.513) : SFKVGQFGSLM : Loop ID = 815 : 1GVP_.pdb.bin ( 66 - 76) INFO : 690 -19.622 = -15.000 - 80.50 * 0.240^2 ( 1.814) : DPLPSGQGLYQ : Loop ID = 964 : 1PQZA.pdb.bin ( 192 - 202) INFO : 691 -19.637 = -15.000 - 80.50 * 0.240^2 ( 0.610) : ELQVESLGKYT : Loop ID = 79 : 1SY1A.pdb.bin ( 72 - 82) INFO : 692 -19.639 = -15.000 - 80.50 * 0.240^2 ( 0.936) : YRLRQADGTTV : Loop ID = 306 : 2AE3B.pdb.bin ( 103 - 113) INFO : 693 -19.646 = -17.000 - 80.50 * 0.181^2 ( 1.318) : VFLPREDHLFR : Loop ID = 664 : 1T5WA.pdb.bin ( 134 - 144) INFO : 694 -19.646 = -10.000 - 80.50 * 0.346^2 ( 1.503) : GPLICNGQFQG : Loop ID = 812 : 1OP2A.pdb.bin ( 181 - 191) INFO : 695 -19.647 = -14.000 - 80.50 * 0.265^2 ( 0.751) : DGRIKWPNDVL : Loop ID = 156 : 1WQWA.pdb.bin ( 95 - 105) INFO : 696 -19.662 = -16.000 - 80.50 * 0.213^2 ( 2.108) : GRYRKDFAKPE : Loop ID = 1091 : 1NX9A.pdb.bin ( 525 - 535) INFO : 697 -19.698 = -13.000 - 80.50 * 0.288^2 ( 0.794) : VVRTPGSSVYN : Loop ID = 186 : 1V10A.pdb.bin ( 399 - 409) INFO : 698 -19.698 = -13.000 - 80.50 * 0.288^2 ( 1.360) : KIIDVSREGAI : Loop ID = 707 : 2FGCA.pdb.bin ( 108 - 118) INFO : 699 -19.699 = -15.000 - 80.50 * 0.242^2 ( 2.126) : GFSQLEDGRWV : Loop ID = 1097 : 1MVYA.pdb.bin ( 235 - 245) INFO : 700 -19.817 = -14.000 - 80.50 * 0.269^2 ( 1.039) : DPVQCSRDVVI : Loop ID = 395 : 1P5FA.pdb.bin ( 39 - 49) INFO : 701 -19.819 = -17.000 - 80.50 * 0.187^2 ( 2.075) : VFLPRDDHLFR : Loop ID = 1073 : 1FNGA.pdb.bin ( 135 - 145) INFO : 702 -19.824 = -15.000 - 80.50 * 0.245^2 ( 1.873) : AIFGEMGEPHS : Loop ID = 985 : 1HFEL.pdb.bin ( 47 - 57) INFO : 703 -19.830 = -14.000 - 80.50 * 0.269^2 ( 1.342) : GTLSTAGNLVF : Loop ID = 689 : 1YIQA.pdb.bin ( 479 - 489) INFO : 704 -19.841 = -13.000 - 80.50 * 0.292^2 ( 1.188) : ETATAGEWQGK : Loop ID = 553 : 1KH5A.pdb.bin ( 207 - 217) INFO : 705 -19.851 = -13.000 - 80.50 * 0.292^2 ( 1.624) : ETATAGEWQGK : Loop ID = 864 : 1Y6VA.pdb.bin ( 212 - 222) INFO : 706 -19.858 = -17.000 - 80.50 * 0.188^2 ( 1.967) : YRHYWSENLFQ : Loop ID = 1028 : 1EXTA.pdb.bin ( 90 - 100) INFO : 707 -19.868 = -10.000 - 80.50 * 0.350^2 ( 1.882) : GPLICNGQFQG : Loop ID = 990 : 1OP0A.pdb.bin ( 181 - 191) INFO : 708 -19.909 = -15.000 - 80.50 * 0.247^2 ( 0.875) : WLDLKSGAQAT : Loop ID = 252 : 1HXN_.pdb.bin ( 128 - 138) INFO : 709 -19.914 = -14.000 - 80.50 * 0.271^2 ( 0.935) : YVFLDNKGQEY : Loop ID = 305 : 1UW4A.pdb.bin ( 67 - 77) INFO : 710 -19.917 = -10.000 - 80.50 * 0.351^2 ( 0.891) : HFKPDRTHTGT : Loop ID = 264 : 1VZA_.pdb.bin ( 17 - 27) INFO : 711 -19.931 = -10.000 - 80.50 * 0.351^2 ( 2.233) : TFYATLDGFIK : Loop ID = 1130 : 1LRWA.pdb.bin ( 486 - 496) INFO : 712 -19.933 = -10.000 - 80.50 * 0.351^2 ( 1.590) : LPIKLPDGSIC : Loop ID = 844 : 1AFWA.pdb.bin ( 204 - 214) INFO : 713 -19.947 = -10.000 - 80.50 * 0.352^2 ( 1.899) : VCAYGAQGEGP : Loop ID = 996 : 1QG3A.pdb.bin ( 70 - 80) INFO : 714 -19.966 = -10.000 - 80.50 * 0.352^2 ( 1.963) : EVIHVSENMLV : Loop ID = 1024 : 1BJ7_.pdb.bin ( 82 - 92) INFO : 715 -19.997 = -11.000 - 80.50 * 0.334^2 ( 2.291) : VKARNGAGWGP : Loop ID = 1151 : 1QG3A.pdb.bin ( 172 - 182) INFO : 716 -20.039 = -15.000 - 80.50 * 0.250^2 ( 1.314) : ETRPAGDGTFQ : Loop ID = 661 : 1ZT1A.pdb.bin ( 228 - 238) INFO : 717 -20.049 = -15.000 - 80.50 * 0.250^2 ( 1.187) : ETRPAGDGTFQ : Loop ID = 550 : 1OGAA.pdb.bin ( 231 - 241) INFO : 718 -20.052 = -17.000 - 80.50 * 0.195^2 ( 0.942) : RTIFDSRGNPT : Loop ID = 311 : 1PDZ_.pdb.bin ( 7 - 17) INFO : 719 -20.054 = -15.000 - 80.50 * 0.251^2 ( 1.239) : ETRPAGDGTFQ : Loop ID = 598 : 1QVOA.pdb.bin ( 231 - 241) INFO : 720 -20.102 = -13.000 - 80.50 * 0.297^2 ( 2.112) : DTAYDDLGNSG : Loop ID = 1094 : 1K3BA.pdb.bin ( 47 - 57) INFO : 721 -20.115 = -15.000 - 80.50 * 0.252^2 ( 1.928) : EYFRKTLVNPF : Loop ID = 1007 : 1F1SA.pdb.bin ( 242 - 252) INFO : 722 -20.121 = -15.000 - 80.50 * 0.252^2 ( 1.103) : ETRPAGDGTFQ : Loop ID = 463 : 1WBZA.pdb.bin ( 231 - 241) INFO : 723 -20.150 = -15.000 - 80.50 * 0.253^2 ( 1.062) : ETRPAGDGTFQ : Loop ID = 419 : 1HSBA.pdb.bin ( 231 - 241) INFO : 724 -20.158 = -15.000 - 80.50 * 0.253^2 ( 0.832) : ETRPAGDGTFQ : Loop ID = 211 : 1FZOA.pdb.bin ( 230 - 240) INFO : 725 -20.160 = -12.000 - 80.50 * 0.318^2 ( 1.673) : PVFERADGTAV : Loop ID = 887 : 1GK1B.pdb.bin ( 126 - 136) INFO : 726 -20.164 = -12.000 - 80.50 * 0.318^2 ( 1.776) : RLAANGNGQWS : Loop ID = 949 : 1DABA.pdb.bin ( 520 - 530) INFO : 727 -20.199 = -16.000 - 80.50 * 0.228^2 ( 1.057) : EDFHVDQVTTV : Loop ID = 411 : 1HP7A.pdb.bin ( 187 - 197) INFO : 728 -20.229 = -12.000 - 80.50 * 0.320^2 ( 0.906) : DAFTDESGQER : Loop ID = 281 : 2FXQA.pdb.bin ( 35 - 45) INFO : 729 -20.245 = -13.000 - 80.50 * 0.300^2 ( 0.944) : ETATAGEWQGK : Loop ID = 313 : 1ED8A.pdb.bin ( 212 - 222) INFO : 730 -20.262 = -15.000 - 80.50 * 0.256^2 ( 0.647) : ETRPAGDGTFQ : Loop ID = 103 : 1KJMA.pdb.bin ( 231 - 241) INFO : 731 -20.288 = -15.000 - 80.50 * 0.256^2 ( 1.337) : ETRPAGDGTFQ : Loop ID = 683 : 2AV7A.pdb.bin ( 231 - 241) INFO : 732 -20.293 = -13.000 - 80.50 * 0.301^2 ( 1.235) : ETATAGEWQGK : Loop ID = 592 : 1ANIA.pdb.bin ( 209 - 219) INFO : 733 -20.298 = -15.000 - 80.50 * 0.257^2 ( 1.066) : ETIADYTGVPM : Loop ID = 423 : 1JRQA.pdb.bin ( 404 - 414) INFO : 734 -20.299 = -9.000 - 80.50 * 0.375^2 ( 1.622) : GWVKGIDDNWH : Loop ID = 860 : 1AOP_.pdb.bin ( 232 - 242) INFO : 735 -20.307 = -15.000 - 80.50 * 0.257^2 ( 0.628) : GNVQKDDGSVT : Loop ID = 90 : 1CRUA.pdb.bin ( 424 - 434) INFO : 736 -20.319 = -16.000 - 80.50 * 0.232^2 ( 1.099) : YLKVLDGNRIV : Loop ID = 454 : 1FLMA.pdb.bin ( 34 - 44) INFO : 737 -20.336 = -15.000 - 80.50 * 0.257^2 ( 1.254) : ETRPAGDGTFQ : Loop ID = 608 : 1LEKA.pdb.bin ( 230 - 240) INFO : 738 -20.356 = -15.000 - 80.50 * 0.258^2 ( 1.237) : ETRPAGDGTFQ : Loop ID = 597 : 1LK2A.pdb.bin ( 231 - 241) INFO : 739 -20.361 = -12.000 - 80.50 * 0.322^2 ( 1.335) : YLSNIENNVRE : Loop ID = 680 : 1TVZA.pdb.bin ( 370 - 380) INFO : 740 -20.378 = -15.000 - 80.50 * 0.258^2 ( 1.424) : ETIADYTGVPM : Loop ID = 759 : 1QAKA.pdb.bin ( 405 - 415) INFO : 741 -20.381 = -12.000 - 80.50 * 0.323^2 ( 2.281) : KSYCNDQSTGT : Loop ID = 1147 : 1CJBA.pdb.bin ( 112 - 122) INFO : 742 -20.430 = -13.000 - 80.50 * 0.304^2 ( 1.135) : ELLVRGSDLCL : Loop ID = 491 : 1FP2A.pdb.bin ( 93 - 103) INFO : 743 -20.432 = -15.000 - 80.50 * 0.260^2 ( 0.907) : ETRPAGDGTFQ : Loop ID = 284 : 1X7QA.pdb.bin ( 231 - 241) INFO : 744 -20.446 = -15.000 - 80.50 * 0.260^2 ( 1.155) : ETRPAGDGTFQ : Loop ID = 517 : 1YDPA.pdb.bin ( 230 - 240) INFO : 745 -20.463 = -7.000 - 80.50 * 0.409^2 ( 1.247) : LYTSGSTGAPK : Loop ID = 604 : 1RY2A.pdb.bin ( 244 - 254) INFO : 746 -20.464 = -15.000 - 80.50 * 0.261^2 ( 0.524) : LIKYDENGNPW : Loop ID = 41 : 1PX4A.pdb.bin ( 562 - 572) INFO : 747 -20.466 = -14.000 - 80.50 * 0.283^2 ( 1.998) : GSIANSGRWLQ : Loop ID = 1044 : 1KQFA.pdb.bin ( 589 - 599) INFO : 748 -20.472 = -17.000 - 80.50 * 0.208^2 ( 0.763) : VSMPDQFLGER : Loop ID = 163 : 1MDBA.pdb.bin ( 460 - 470) INFO : 749 -20.477 = -13.000 - 80.50 * 0.305^2 ( 1.439) : LQYVDSKGYST : Loop ID = 772 : 1J19A.pdb.bin ( 45 - 55) INFO : 750 -20.496 = -15.000 - 80.50 * 0.261^2 ( 0.985) : ETRPAGDGTFQ : Loop ID = 347 : 1JPFA.pdb.bin ( 230 - 240) INFO : 751 -20.557 = -15.000 - 80.50 * 0.263^2 ( 1.759) : STALLESGVRK : Loop ID = 938 : 1AT0_.pdb.bin ( 5 - 15) INFO : 752 -20.569 = -14.000 - 80.50 * 0.286^2 ( 0.764) : TIGDVKGDEVH : Loop ID = 165 : 1OI1A.pdb.bin ( 156 - 166) INFO : 753 -20.584 = -15.000 - 80.50 * 0.263^2 ( 1.487) : CFNHQTSQPQT : Loop ID = 804 : 3ERAA.pdb.bin ( 2 - 12) INFO : 754 -20.592 = -13.000 - 80.50 * 0.307^2 ( 1.388) : LTQLNEDGTTS : Loop ID = 729 : 1MNNA.pdb.bin ( 2 - 12) INFO : 755 -20.596 = -14.000 - 80.50 * 0.286^2 ( 1.213) : LATADSQGRPS : Loop ID = 575 : 1TY9A.pdb.bin ( 40 - 50) INFO : 756 -20.624 = -14.000 - 80.50 * 0.287^2 ( 2.178) : LVKWESENKMV : Loop ID = 1119 : 1XCAA.pdb.bin ( 83 - 93) INFO : 757 -20.627 = -17.000 - 80.50 * 0.212^2 ( 0.537) : EWRFSRSGLRY : Loop ID = 43 : 1DF7A.pdb.bin ( 140 - 150) INFO : 758 -20.637 = -17.000 - 80.50 * 0.213^2 ( 1.119) : TVIGITGARLR : Loop ID = 480 : 1OI1A.pdb.bin ( 51 - 61) INFO : 759 -20.656 = -15.000 - 80.50 * 0.265^2 ( 2.126) : ETRPAGDGTFQ : Loop ID = 1098 : 1K8DA.pdb.bin ( 231 - 241) INFO : 760 -20.677 = -14.000 - 80.50 * 0.288^2 ( 1.640) : DPVQCSRDVVI : Loop ID = 873 : 1J42A.pdb.bin ( 39 - 49) INFO : 761 -20.695 = -15.000 - 80.50 * 0.266^2 ( 1.737) : AVLASRLGGKE : Loop ID = 926 : 1HC7A.pdb.bin ( 346 - 356) INFO : 762 -20.709 = -15.000 - 80.50 * 0.266^2 ( 1.332) : ETIADYTGVPM : Loop ID = 676 : 1QAFA.pdb.bin ( 404 - 414) INFO : 763 -20.733 = -11.000 - 80.50 * 0.348^2 ( 1.575) : VTVYDQHGFRI : Loop ID = 834 : 1NA8A.pdb.bin ( 26 - 36) INFO : 764 -20.805 = -15.000 - 80.50 * 0.269^2 ( 1.117) : ETRPAGDGTFQ : Loop ID = 479 : 1KJVA.pdb.bin ( 231 - 241) INFO : 765 -20.807 = -11.000 - 80.50 * 0.349^2 ( 1.390) : SFHVGQFGSLM : Loop ID = 733 : 1GKH_.pdb.bin ( 66 - 76) INFO : 766 -20.811 = -15.000 - 80.50 * 0.269^2 ( 0.359) : LIKYDENGNPW : Loop ID = 12 : 1JZ8A.pdb.bin ( 562 - 572) INFO : 767 -20.817 = -13.000 - 80.50 * 0.312^2 ( 1.244) : ETATAGEWQGK : Loop ID = 601 : 1ALHA.pdb.bin ( 209 - 219) INFO : 768 -20.881 = -12.000 - 80.50 * 0.332^2 ( 2.087) : PVFERADGTAV : Loop ID = 1078 : 1OR0B.pdb.bin ( 124 - 134) INFO : 769 -20.886 = -16.000 - 80.50 * 0.246^2 ( 0.575) : IYDYDEDGIAY : Loop ID = 63 : 1IQZA.pdb.bin ( 23 - 33) INFO : 770 -20.916 = -13.000 - 80.50 * 0.314^2 ( 1.664) : FLLHSDDSDVR : Loop ID = 884 : 1SDJA.pdb.bin ( 57 - 67) INFO : 771 -20.998 = -15.000 - 80.50 * 0.273^2 ( 0.507) : LIKYDENGNPW : Loop ID = 32 : 1JZ7A.pdb.bin ( 561 - 571) INFO : 772 -21.026 = -16.000 - 80.50 * 0.250^2 ( 1.076) : MLLDRNVPKPR : Loop ID = 432 : 1JKSA.pdb.bin ( 144 - 154) INFO : 773 -21.028 = -13.000 - 80.50 * 0.316^2 ( 1.717) : ETATAGEWQGK : Loop ID = 915 : 1ALIA.pdb.bin ( 209 - 219) INFO : 774 -21.031 = -15.000 - 80.50 * 0.274^2 ( 1.011) : HLLEIRGLGII : Loop ID = 369 : 1KO7A.pdb.bin ( 196 - 206) INFO : 775 -21.040 = -15.000 - 80.50 * 0.274^2 ( 1.151) : LNCQGANGQWQ : Loop ID = 510 : 1BRUP.pdb.bin ( 191 - 201) INFO : 776 -21.051 = -15.000 - 80.50 * 0.274^2 ( 0.860) : LIKYDENGNPW : Loop ID = 234 : 1JZ2A.pdb.bin ( 562 - 572) INFO : 777 -21.112 = -14.000 - 80.50 * 0.297^2 ( 1.353) : YVITPISGQST : Loop ID = 702 : 1V73A.pdb.bin ( 6 - 16) INFO : 778 -21.118 = -12.000 - 80.50 * 0.337^2 ( 1.345) : TEAIGARGERI : Loop ID = 693 : 1AZO_.pdb.bin ( 176 - 186) INFO : 779 -21.124 = -14.000 - 80.50 * 0.297^2 ( 1.500) : LVKWESENKMV : Loop ID = 810 : 1CBS_.pdb.bin ( 83 - 93) INFO : 780 -21.170 = -15.000 - 80.50 * 0.277^2 ( 1.132) : ETRPAGDGTFQ : Loop ID = 489 : 1JUFA.pdb.bin ( 231 - 241) INFO : 781 -21.196 = -15.000 - 80.50 * 0.277^2 ( 0.987) : ETRPAGDGTFQ : Loop ID = 348 : 1WBXA.pdb.bin ( 230 - 240) INFO : 782 -21.237 = -16.000 - 80.50 * 0.255^2 ( 1.055) : GAKEKRLHEYV : Loop ID = 408 : 1SMRA.pdb.bin ( 240 - 250) INFO : 783 -21.250 = -11.000 - 80.50 * 0.357^2 ( 1.622) : VTVYDQHGFRI : Loop ID = 861 : 1OM9A.pdb.bin ( 17 - 27) INFO : 784 -21.283 = -13.000 - 80.50 * 0.321^2 ( 1.779) : IIVTTKSGGRG : Loop ID = 950 : 1UADC.pdb.bin ( 70 - 80) INFO : 785 -21.293 = -10.000 - 80.50 * 0.375^2 ( 1.138) : GPLICNGQFQG : Loop ID = 496 : 2AIQA.pdb.bin ( 178 - 188) INFO : 786 -21.306 = -16.000 - 80.50 * 0.257^2 ( 1.012) : LKEQPALNDSR : Loop ID = 370 : 2BNUB.pdb.bin ( 173 - 183) INFO : 787 -21.313 = -16.000 - 80.50 * 0.257^2 ( 0.938) : YLKVLDGNRIV : Loop ID = 309 : 1WLIA.pdb.bin ( 34 - 44) INFO : 788 -21.332 = -8.000 - 80.50 * 0.407^2 ( 1.221) : LYTSGSTGKPK : Loop ID = 583 : 1PG4A.pdb.bin ( 257 - 267) INFO : 789 -21.348 = -14.000 - 80.50 * 0.302^2 ( 1.410) : TKGIGKNGEII : Loop ID = 755 : 2AORA.pdb.bin ( 185 - 195) INFO : 790 -21.401 = -18.000 - 80.50 * 0.206^2 ( 0.908) : TPADTGHGTVV : Loop ID = 285 : 1ZTXE.pdb.bin ( 14 - 24) INFO : 791 -21.441 = -13.000 - 80.50 * 0.324^2 ( 2.100) : FLLHSDDSDVR : Loop ID = 1085 : 1QYAA.pdb.bin ( 48 - 58) INFO : 792 -21.458 = -15.000 - 80.50 * 0.283^2 ( 0.905) : TVAEVCGYRLR : Loop ID = 279 : 1OZ2A.pdb.bin ( 55 - 65) INFO : 793 -21.489 = -9.000 - 80.50 * 0.394^2 ( 1.974) : TLGNADKGSYT : Loop ID = 1030 : 1QVEA.pdb.bin ( 91 - 101) INFO : 794 -21.529 = -15.000 - 80.50 * 0.285^2 ( 2.026) : CFNHQSSQPQT : Loop ID = 1056 : 1QKDA.pdb.bin ( 2 - 12) INFO : 795 -21.556 = -16.000 - 80.50 * 0.263^2 ( 0.992) : LKEQPALNDSR : Loop ID = 352 : 1BD2E.pdb.bin ( 174 - 184) INFO : 796 -21.662 = -17.000 - 80.50 * 0.241^2 ( 1.099) : VMVPMRDGVRL : Loop ID = 455 : 1L7QA.pdb.bin ( 8 - 18) INFO : 797 -21.688 = -14.000 - 80.50 * 0.309^2 ( 1.409) : TMNTEQSKSLL : Loop ID = 750 : 1RYMA.pdb.bin ( 37 - 47) INFO : 798 -21.716 = -16.000 - 80.50 * 0.266^2 ( 1.929) : FWRLSTDDWIL : Loop ID = 1008 : 1JLYA.pdb.bin ( 219 - 229) INFO : 799 -21.724 = -17.000 - 80.50 * 0.242^2 ( 0.470) : MPFRVTEQESK : Loop ID = 26 : 1OVAA.pdb.bin ( 195 - 205) INFO : 800 -21.737 = -18.000 - 80.50 * 0.215^2 ( 0.869) : TSERLGNGEYL : Loop ID = 244 : 1S8EA.pdb.bin ( 119 - 129) INFO : 801 -21.741 = -14.000 - 80.50 * 0.310^2 ( 1.568) : SLVETQNGEWY : Loop ID = 830 : 1YRZA.pdb.bin ( 248 - 258) INFO : 802 -21.824 = -15.000 - 80.50 * 0.291^2 ( 1.107) : ETRPAGDGTFQ : Loop ID = 469 : 1YN6A.pdb.bin ( 230 - 240) INFO : 803 -21.826 = -14.000 - 80.50 * 0.312^2 ( 2.104) : QFTVDENGQMS : Loop ID = 1089 : 1IIUA.pdb.bin ( 42 - 52) INFO : 804 -21.844 = -17.000 - 80.50 * 0.245^2 ( 0.606) : EARFKDDQSLT : Loop ID = 76 : 1ZK7A.pdb.bin ( 115 - 125) INFO : 805 -21.893 = -12.000 - 80.50 * 0.351^2 ( 1.310) : AMINSNDDNGV : Loop ID = 659 : 1RLEA.pdb.bin ( 220 - 230) INFO : 806 -21.905 = -14.000 - 80.50 * 0.313^2 ( 1.633) : MQGYDENGFLK : Loop ID = 868 : 1WDKC.pdb.bin ( 194 - 204) INFO : 807 -21.916 = -18.000 - 80.50 * 0.221^2 ( 1.001) : TSERLGNGEYL : Loop ID = 362 : 1II7A.pdb.bin ( 119 - 129) INFO : 808 -21.986 = -17.000 - 80.50 * 0.249^2 ( 1.289) : AYYSQGAKKGL : Loop ID = 641 : 1ML9A.pdb.bin ( 67 - 77) INFO : 809 -21.998 = -14.000 - 80.50 * 0.315^2 ( 1.108) : KVLYADTDGLH : Loop ID = 470 : 1QHTA.pdb.bin ( 534 - 544) INFO : 810 -22.025 = -13.000 - 80.50 * 0.335^2 ( 0.967) : KPVTSGFGFID : Loop ID = 333 : 1RLOA.pdb.bin ( 170 - 180) INFO : 811 -22.034 = -15.000 - 80.50 * 0.296^2 ( 1.431) : CFNHQSSQPQT : Loop ID = 766 : 3EBX_.pdb.bin ( 2 - 12) INFO : 812 -22.088 = -13.000 - 80.50 * 0.336^2 ( 1.382) : KVLYADTDGFF : Loop ID = 723 : 1TGOA.pdb.bin ( 534 - 544) INFO : 813 -22.131 = -8.000 - 80.50 * 0.419^2 ( 2.154) : FANISNNEIDT : Loop ID = 1107 : 2ESCA.pdb.bin ( 36 - 46) INFO : 814 -22.149 = -21.000 - 80.50 * 0.119^2 ( 2.071) : LLLNFNNGGLP : Loop ID = 1071 : 1YKKB.pdb.bin ( 62 - 72) INFO : 815 -22.164 = -16.000 - 80.50 * 0.277^2 ( 1.288) : LKEQPALNDSR : Loop ID = 639 : 1OGAE.pdb.bin ( 172 - 182) INFO : 816 -22.204 = -21.000 - 80.50 * 0.122^2 ( 2.210) : LLLNFNNGGLP : Loop ID = 1125 : 1YKPB.pdb.bin ( 62 - 72) INFO : 817 -22.257 = -9.000 - 80.50 * 0.406^2 ( 2.086) : TLGTDADGRST : Loop ID = 1076 : 1RW9A.pdb.bin ( 724 - 734) INFO : 818 -22.311 = -18.000 - 80.50 * 0.231^2 ( 0.628) : SPQSIGFQATI : Loop ID = 91 : 1I1NA.pdb.bin ( 46 - 56) INFO : 819 -22.314 = -17.000 - 80.50 * 0.257^2 ( 2.259) : VLTNYLNSQYY : Loop ID = 1140 : 1SMRA.pdb.bin ( 7 - 17) INFO : 820 -22.332 = -12.000 - 80.50 * 0.358^2 ( 1.044) : AMINSNDDNGV : Loop ID = 397 : 1VJJA.pdb.bin ( 220 - 230) INFO : 821 -22.387 = -15.000 - 80.50 * 0.303^2 ( 0.928) : NGVIDSDGNVI : Loop ID = 297 : 1N67A.pdb.bin ( 77 - 87) INFO : 822 -22.431 = -17.000 - 80.50 * 0.260^2 ( 1.894) : RGRLTDDNTIV : Loop ID = 994 : 3PTD_.pdb.bin ( 68 - 78) INFO : 823 -22.469 = -15.000 - 80.50 * 0.305^2 ( 2.251) : LELKNADGTKW : Loop ID = 1136 : 1J1QA.pdb.bin ( 225 - 235) INFO : 824 -22.473 = -17.000 - 80.50 * 0.261^2 ( 1.307) : KFMEIRGLGII : Loop ID = 654 : 1KNXA.pdb.bin ( 198 - 208) INFO : 825 -22.489 = -16.000 - 80.50 * 0.284^2 ( 0.766) : TCGFASNKTIE : Loop ID = 166 : 1INF_.pdb.bin ( 201 - 211) INFO : 826 -22.501 = -17.000 - 80.50 * 0.261^2 ( 1.642) : VMVPMRDGVRL : Loop ID = 875 : 1L7RA.pdb.bin ( 10 - 20) INFO : 827 -22.555 = -13.000 - 80.50 * 0.345^2 ( 1.700) : TQKNDRTGTGT : Loop ID = 905 : 1NCEA.pdb.bin ( 14 - 24) INFO : 828 -22.578 = -17.000 - 80.50 * 0.263^2 ( 0.558) : RGRLTDDNTIV : Loop ID = 55 : 4PTD_.pdb.bin ( 68 - 78) INFO : 829 -22.591 = -12.000 - 80.50 * 0.363^2 ( 1.637) : VITDHNDGTYS : Loop ID = 871 : 1CWVA.pdb.bin ( 147 - 157) INFO : 830 -22.643 = -16.000 - 80.50 * 0.287^2 ( 1.274) : VVFVDSTGRSY : Loop ID = 625 : 1ZVTA.pdb.bin ( 46 - 56) INFO : 831 -22.744 = -13.000 - 80.50 * 0.348^2 ( 2.119) : TYLYRGRILNL : Loop ID = 1095 : 1V8WA.pdb.bin ( 1 - 11) INFO : 832 -22.749 = -12.000 - 80.50 * 0.365^2 ( 1.944) : GPLVCGGVLEG : Loop ID = 1016 : 1BIO_.pdb.bin ( 184 - 194) INFO : 833 -22.765 = -16.000 - 80.50 * 0.290^2 ( 1.726) : CFNHQGSQPQT : Loop ID = 921 : 2ERA_.pdb.bin ( 2 - 12) INFO : 834 -22.790 = -19.000 - 80.50 * 0.217^2 ( 0.997) : IAKFQGEDTVV : Loop ID = 356 : 1BG2_.pdb.bin ( 27 - 37) INFO : 835 -22.802 = -14.000 - 80.50 * 0.331^2 ( 1.582) : VYFEVPRPKLL : Loop ID = 838 : 1YEMA.pdb.bin ( 33 - 43) INFO : 836 -22.825 = -17.000 - 80.50 * 0.269^2 ( 0.701) : VMVPMRDGVRL : Loop ID = 122 : 1JU3A.pdb.bin ( 7 - 17) INFO : 837 -22.924 = -21.000 - 80.50 * 0.155^2 ( 0.261) : PPVLDSDGSFF : Loop ID = 4 : 1H3UA.pdb.bin ( 157 - 167) INFO : 838 -22.945 = -15.000 - 80.50 * 0.314^2 ( 1.482) : QIIICGDGTIR : Loop ID = 799 : 1VCLA.pdb.bin ( 43 - 53) INFO : 839 -22.965 = -15.000 - 80.50 * 0.315^2 ( 1.890) : GPLVCNKVAQG : Loop ID = 993 : 1IAUA.pdb.bin ( 184 - 194) INFO : 840 -23.019 = -17.000 - 80.50 * 0.273^2 ( 1.388) : LLALWEGGQPH : Loop ID = 730 : 2BIWA.pdb.bin ( 133 - 143) INFO : 841 -23.027 = -13.000 - 80.50 * 0.353^2 ( 1.953) : ELFYKADGESC : Loop ID = 1019 : 1TB6I.pdb.bin ( 223 - 233) INFO : 842 -23.033 = -16.000 - 80.50 * 0.296^2 ( 0.803) : VRFCDLPGIMQ : Loop ID = 194 : 1HTQA.pdb.bin ( 18 - 28) INFO : 843 -23.046 = -21.000 - 80.50 * 0.159^2 ( 0.316) : PPVLDSDGSFF : Loop ID = 6 : 1L6XA.pdb.bin ( 158 - 168) INFO : 844 -23.072 = -17.000 - 80.50 * 0.275^2 ( 1.866) : KPAIVETGASI : Loop ID = 983 : 1YBYA.pdb.bin ( 136 - 146) INFO : 845 -23.075 = -15.000 - 80.50 * 0.317^2 ( 1.324) : GPLLCAGVAQG : Loop ID = 668 : 1NN6A.pdb.bin ( 179 - 189) INFO : 846 -23.098 = -19.000 - 80.50 * 0.226^2 ( 0.440) : HSGVNQLGGVF : Loop ID = 20 : 6PAXA.pdb.bin ( 1 - 11) INFO : 847 -23.112 = -17.000 - 80.50 * 0.276^2 ( 1.440) : RGRLTDDNTIV : Loop ID = 774 : 1GYM_.pdb.bin ( 68 - 78) INFO : 848 -23.135 = -15.000 - 80.50 * 0.318^2 ( 2.033) : CHNQQSSQTPT : Loop ID = 1057 : 1VB0A.pdb.bin ( 2 - 12) INFO : 849 -23.148 = -15.000 - 80.50 * 0.318^2 ( 1.551) : ETRPSGDGTFQ : Loop ID = 825 : 1MHCA.pdb.bin ( 231 - 241) INFO : 850 -23.195 = -19.000 - 80.50 * 0.228^2 ( 1.148) : TFRCTKRGGCK : Loop ID = 504 : 1A39_.pdb.bin ( 13 - 23) INFO : 851 -23.203 = -16.000 - 80.50 * 0.299^2 ( 1.308) : GTLTTAGNVVF : Loop ID = 656 : 1KB0A.pdb.bin ( 481 - 491) INFO : 852 -23.266 = -17.000 - 80.50 * 0.279^2 ( 1.752) : VEIKFSNGSQD : Loop ID = 936 : 1ZKWA.pdb.bin ( 130 - 140) INFO : 853 -23.305 = -18.000 - 80.50 * 0.257^2 ( 2.073) : LYNPDENGHIR : Loop ID = 1072 : 1FOHA.pdb.bin ( 84 - 94) INFO : 854 -23.308 = -19.000 - 80.50 * 0.231^2 ( 0.746) : LVFEEFQGQCI : Loop ID = 151 : 1UH9A.pdb.bin ( 275 - 285) INFO : 855 -23.396 = -19.000 - 80.50 * 0.234^2 ( 0.713) : LVFEEFQGQCI : Loop ID = 131 : 2APR_.pdb.bin ( 275 - 285) INFO : 856 -23.424 = -13.000 - 80.50 * 0.360^2 ( 1.997) : RFVTKEDGTKE : Loop ID = 1043 : 1XJJA.pdb.bin ( 503 - 513) INFO : 857 -23.490 = -17.000 - 80.50 * 0.284^2 ( 2.060) : VVIIDNKGQRV : Loop ID = 1065 : 1NIOA.pdb.bin ( 212 - 222) INFO : 858 -23.517 = -17.000 - 80.50 * 0.285^2 ( 1.028) : LTGSVSELGNW : Loop ID = 380 : 1KCLA.pdb.bin ( 605 - 615) INFO : 859 -23.535 = -17.000 - 80.50 * 0.285^2 ( 1.638) : CFSARDEWPGI : Loop ID = 872 : 1M33A.pdb.bin ( 106 - 116) INFO : 860 -23.549 = -17.000 - 80.50 * 0.285^2 ( 1.282) : FPWFSPGDPIL : Loop ID = 633 : 2CXAA.pdb.bin ( 44 - 54) INFO : 861 -23.549 = -15.000 - 80.50 * 0.326^2 ( 2.220) : QFKLDENRNLV : Loop ID = 1128 : 1WLGA.pdb.bin ( 27 - 37) INFO : 862 -23.564 = -14.000 - 80.50 * 0.345^2 ( 1.150) : TGIIRDGSLLA : Loop ID = 509 : 2AA4A.pdb.bin ( 63 - 73) INFO : 863 -23.577 = -17.000 - 80.50 * 0.286^2 ( 1.700) : KEVQLDEDAYL : Loop ID = 903 : 1N70A.pdb.bin ( 39 - 49) INFO : 864 -23.643 = -18.000 - 80.50 * 0.265^2 ( 1.930) : VWHEDEFYGKS : Loop ID = 1010 : 1Z5YD.pdb.bin ( 56 - 66) INFO : 865 -23.660 = -16.000 - 80.50 * 0.308^2 ( 1.296) : VRFCDLPGIMQ : Loop ID = 644 : 2BVCA.pdb.bin ( 19 - 29) INFO : 866 -23.663 = -18.000 - 80.50 * 0.265^2 ( 0.820) : CLFEWSDGRIY : Loop ID = 206 : 2CX1A.pdb.bin ( 65 - 75) INFO : 867 -23.677 = -14.000 - 80.50 * 0.347^2 ( 1.336) : GPLICDGVLQG : Loop ID = 681 : 1TON_.pdb.bin ( 180 - 190) INFO : 868 -23.738 = -17.000 - 80.50 * 0.289^2 ( 1.175) : FEEQTVDGRPC : Loop ID = 539 : 1XCAA.pdb.bin ( 70 - 80) INFO : 869 -23.754 = -22.000 - 80.50 * 0.148^2 ( 1.270) : VPGDLSEGEYS : Loop ID = 621 : 1UF3A.pdb.bin ( 196 - 206) INFO : 870 -23.767 = -16.000 - 80.50 * 0.311^2 ( 0.988) : TCGFASNKTIE : Loop ID = 349 : 1NSCA.pdb.bin ( 201 - 211) INFO : 871 -23.771 = -16.000 - 80.50 * 0.311^2 ( 0.874) : EDFHVDQVTTV : Loop ID = 251 : 1OPHA.pdb.bin ( 186 - 196) INFO : 872 -23.778 = -13.000 - 80.50 * 0.366^2 ( 1.881) : EVVEENYHDAP : Loop ID = 989 : 2BDPA.pdb.bin ( 24 - 34) INFO : 873 -23.781 = -13.000 - 80.50 * 0.366^2 ( 2.254) : TYLYRGRILNL : Loop ID = 1139 : 1V8YA.pdb.bin ( 1 - 11) INFO : 874 -23.788 = -14.000 - 80.50 * 0.349^2 ( 1.613) : ERLGAGQFGEV : Loop ID = 855 : 1QPCA.pdb.bin ( 18 - 28) INFO : 875 -23.797 = -20.000 - 80.50 * 0.217^2 ( 0.408) : APFRLNKKDTK : Loop ID = 17 : 1HLEA.pdb.bin ( 182 - 192) INFO : 876 -23.801 = -18.000 - 80.50 * 0.268^2 ( 0.588) : TIHAIWNGGVL : Loop ID = 65 : 2D81A.pdb.bin ( 267 - 277) INFO : 877 -23.835 = -17.000 - 80.50 * 0.291^2 ( 1.376) : GWHKSAYGNWW : Loop ID = 717 : 2BIBA.pdb.bin ( 312 - 322) INFO : 878 -23.879 = -10.000 - 80.50 * 0.415^2 ( 0.661) : NAYAYGTFAPG : Loop ID = 109 : 1CBG_.pdb.bin ( 189 - 199) INFO : 879 -23.900 = -18.000 - 80.50 * 0.271^2 ( 1.448) : ENTGSWFWWGD : Loop ID = 777 : 1R7OA.pdb.bin ( 170 - 180) INFO : 880 -23.906 = -18.000 - 80.50 * 0.271^2 ( 1.830) : ENTGSWFWWGD : Loop ID = 972 : 1ODZA.pdb.bin ( 170 - 180) INFO : 881 -23.935 = -14.000 - 80.50 * 0.351^2 ( 1.821) : DSRLTARGALA : Loop ID = 966 : 1II2A.pdb.bin ( 22 - 32) INFO : 882 -23.949 = -19.000 - 80.50 * 0.248^2 ( 1.881) : TFRCTKRGGCK : Loop ID = 988 : 2A39A.pdb.bin ( 13 - 23) INFO : 883 -24.016 = -17.000 - 80.50 * 0.295^2 ( 1.348) : LYWTDSQNKKE : Loop ID = 697 : 1ACC_.pdb.bin ( 116 - 126) INFO : 884 -24.030 = -20.000 - 80.50 * 0.224^2 ( 0.531) : APQPIGGGVTI : Loop ID = 42 : 1R18A.pdb.bin ( 50 - 60) INFO : 885 -24.048 = -16.000 - 80.50 * 0.316^2 ( 1.570) : SPWAINDNLSY : Loop ID = 831 : 1L8FA.pdb.bin ( 58 - 68) INFO : 886 -24.057 = -18.000 - 80.50 * 0.274^2 ( 0.670) : HNFRLNEREVV : Loop ID = 112 : 1JMOA.pdb.bin ( 236 - 246) INFO : 887 -24.105 = -21.000 - 80.50 * 0.196^2 ( 0.704) : WQKCSSGGTCT : Loop ID = 125 : 1EGNA.pdb.bin ( 14 - 24) INFO : 888 -24.123 = -13.000 - 80.50 * 0.372^2 ( 1.890) : EVVEENYHDAP : Loop ID = 992 : 1NK4A.pdb.bin ( 24 - 34) INFO : 889 -24.123 = -13.000 - 80.50 * 0.372^2 ( 1.787) : EVVEENYHDAP : Loop ID = 954 : 1U4BA.pdb.bin ( 24 - 34) INFO : 890 -24.142 = -19.000 - 80.50 * 0.253^2 ( 1.964) : TFRCTKRGGCK : Loop ID = 1025 : 1DYMA.pdb.bin ( 13 - 23) INFO : 891 -24.211 = -21.000 - 80.50 * 0.200^2 ( 0.638) : WQKCSSGGTCT : Loop ID = 97 : 1Q2EA.pdb.bin ( 14 - 24) INFO : 892 -24.213 = -8.000 - 80.50 * 0.449^2 ( 2.163) : DFVLNSEHLTT : Loop ID = 1112 : 1U7LA.pdb.bin ( 178 - 188) INFO : 893 -24.321 = -17.000 - 80.50 * 0.302^2 ( 0.572) : AMAHIEGYDPM : Loop ID = 62 : 1CPT_.pdb.bin ( 40 - 50) INFO : 894 -24.329 = -21.000 - 80.50 * 0.203^2 ( 0.730) : WQKCSSGGTCT : Loop ID = 146 : 1Q2BA.pdb.bin ( 14 - 24) INFO : 895 -24.349 = -15.000 - 80.50 * 0.341^2 ( 1.450) : QPTISVGGVTG : Loop ID = 779 : 1YS1X.pdb.bin ( 214 - 224) INFO : 896 -24.361 = -21.000 - 80.50 * 0.204^2 ( 0.901) : WQKCSSGGTCT : Loop ID = 274 : 6CEL_.pdb.bin ( 14 - 24) INFO : 897 -24.399 = -18.000 - 80.50 * 0.282^2 ( 1.053) : DELALKNGSKG : Loop ID = 403 : 1M6UA.pdb.bin ( 235 - 245) INFO : 898 -24.440 = -16.000 - 80.50 * 0.324^2 ( 1.689) : GPLVCNGVAQG : Loop ID = 900 : 1EUFA.pdb.bin ( 183 - 193) INFO : 899 -24.444 = -14.000 - 80.50 * 0.360^2 ( 1.473) : KTVDEEGKLLV : Loop ID = 790 : 1ILE_.pdb.bin ( 340 - 350) INFO : 900 -24.454 = -16.000 - 80.50 * 0.324^2 ( 0.997) : RCRAIDGDVTF : Loop ID = 357 : 1F0LA.pdb.bin ( 444 - 454) INFO : 901 -24.477 = -20.000 - 80.50 * 0.236^2 ( 1.957) : PAGPKVNGTFQ : Loop ID = 1021 : 1NKR_.pdb.bin ( 145 - 155) INFO : 902 -24.497 = -14.000 - 80.50 * 0.361^2 ( 2.055) : GPVVCNGELQG : Loop ID = 1064 : 3TGKE.pdb.bin ( 172 - 182) INFO : 903 -24.586 = -13.000 - 80.50 * 0.379^2 ( 2.001) : GPVVCSGKLQG : Loop ID = 1047 : 2FI5E.pdb.bin ( 178 - 188) INFO : 904 -24.629 = -18.000 - 80.50 * 0.287^2 ( 2.098) : GEYQDSNGDVI : Loop ID = 1083 : 1TG0A.pdb.bin ( 42 - 52) INFO : 905 -24.686 = -17.000 - 80.50 * 0.309^2 ( 1.030) : LTGSVSELGNW : Loop ID = 383 : 1OT2A.pdb.bin ( 605 - 615) INFO : 906 -24.695 = -21.000 - 80.50 * 0.214^2 ( 0.980) : IQLQRRNGSKF : Loop ID = 344 : 1J1MA.pdb.bin ( 224 - 234) INFO : 907 -24.761 = -11.000 - 80.50 * 0.413^2 ( 2.263) : MEGVYPLAVPL : Loop ID = 1142 : 1QSSA.pdb.bin ( 514 - 524) INFO : 908 -24.775 = -17.000 - 80.50 * 0.311^2 ( 1.070) : LTGSVSELGNW : Loop ID = 428 : 1CXLA.pdb.bin ( 605 - 615) INFO : 909 -24.790 = -14.000 - 80.50 * 0.366^2 ( 2.135) : GPVVCNGELQG : Loop ID = 1100 : 1FY8E.pdb.bin ( 170 - 180) INFO : 910 -24.806 = -15.000 - 80.50 * 0.349^2 ( 1.217) : GPLLCAGAAQG : Loop ID = 579 : 1T31A.pdb.bin ( 183 - 193) INFO : 911 -24.817 = -21.000 - 80.50 * 0.218^2 ( 1.195) : WQKCSSGGTCT : Loop ID = 560 : 4CELA.pdb.bin ( 14 - 24) INFO : 912 -24.851 = -14.000 - 80.50 * 0.367^2 ( 2.172) : GPVVCNGELQG : Loop ID = 1116 : 1EZSC.pdb.bin ( 178 - 188) INFO : 913 -24.882 = -15.000 - 80.50 * 0.350^2 ( 1.763) : TVLGVKGNQVR : Loop ID = 940 : 1VPZA.pdb.bin ( 20 - 30) INFO : 914 -24.913 = -17.000 - 80.50 * 0.314^2 ( 1.110) : LTGSVSELGNW : Loop ID = 472 : 1D3CA.pdb.bin ( 605 - 615) INFO : 915 -24.920 = -17.000 - 80.50 * 0.314^2 ( 1.379) : EDLTEEEDGGI : Loop ID = 719 : 1Q1CA.pdb.bin ( 119 - 129) INFO : 916 -24.925 = -21.000 - 80.50 * 0.221^2 ( 1.459) : WQKCSSGGTCT : Loop ID = 784 : 7CEL_.pdb.bin ( 14 - 24) INFO : 917 -24.940 = -17.000 - 80.50 * 0.314^2 ( 2.040) : VEIKFSNGSQD : Loop ID = 1060 : 1T3AA.pdb.bin ( 130 - 140) INFO : 918 -24.944 = -13.000 - 80.50 * 0.385^2 ( 1.773) : PIIDHGSHIVP : Loop ID = 946 : 2BWNA.pdb.bin ( 321 - 331) INFO : 919 -24.944 = -20.000 - 80.50 * 0.248^2 ( 1.085) : VFVYDVNDKRY : Loop ID = 442 : 1Z7DA.pdb.bin ( 30 - 40) INFO : 920 -24.976 = -17.000 - 80.50 * 0.315^2 ( 1.117) : LTGSVSELGNW : Loop ID = 478 : 1PJ9A.pdb.bin ( 605 - 615) INFO : 921 -24.999 = -16.000 - 80.50 * 0.334^2 ( 1.166) : TCGFASNKTIE : Loop ID = 528 : 1B9VA.pdb.bin ( 201 - 211) INFO : 922 -25.006 = -17.000 - 80.50 * 0.315^2 ( 2.205) : GPVKLTDGRVF : Loop ID = 1124 : 1GZ3A.pdb.bin ( 430 - 440) INFO : 923 -25.008 = -15.000 - 80.50 * 0.353^2 ( 1.356) : SPLVCNGLIHG : Loop ID = 705 : 1HNEE.pdb.bin ( 174 - 184) INFO : 924 -25.025 = -17.000 - 80.50 * 0.316^2 ( 1.473) : GPLYSGTRAIG : Loop ID = 791 : 1SGPE.pdb.bin ( 142 - 152) INFO : 925 -25.042 = -17.000 - 80.50 * 0.316^2 ( 1.381) : ARHNTASDQSF : Loop ID = 722 : 3SIL_.pdb.bin ( 51 - 61) INFO : 926 -25.043 = -22.000 - 80.50 * 0.194^2 ( 0.775) : RGTNFGYDNLI : Loop ID = 170 : 1O60A.pdb.bin ( 160 - 170) INFO : 927 -25.056 = -17.000 - 80.50 * 0.316^2 ( 1.736) : RRYNDHRGLWG : Loop ID = 925 : 1ODKA.pdb.bin ( 36 - 46) INFO : 928 -25.086 = -17.000 - 80.50 * 0.317^2 ( 2.245) : LRIHLPGREAH : Loop ID = 1133 : 1CTT_.pdb.bin ( 144 - 154) INFO : 929 -25.094 = -18.000 - 80.50 * 0.297^2 ( 2.156) : EPRYKVDMTKY : Loop ID = 1109 : 1RY6A.pdb.bin ( 35 - 45) INFO : 930 -25.102 = -21.000 - 80.50 * 0.226^2 ( 1.195) : WQKCSSGGTCT : Loop ID = 559 : 1CELA.pdb.bin ( 14 - 24) INFO : 931 -25.111 = -15.000 - 80.50 * 0.354^2 ( 1.549) : GPLLCAGVAQG : Loop ID = 824 : 1KLT_.pdb.bin ( 183 - 193) INFO : 932 -25.140 = -14.000 - 80.50 * 0.372^2 ( 2.263) : GPVVCNGELQG : Loop ID = 1141 : 1QL9A.pdb.bin ( 178 - 188) INFO : 933 -25.146 = -19.000 - 80.50 * 0.276^2 ( 1.036) : GWVLSYGSRCY : Loop ID = 390 : 1T7LA.pdb.bin ( 485 - 495) INFO : 934 -25.153 = -18.000 - 80.50 * 0.298^2 ( 1.913) : LYVVWEDGRSE : Loop ID = 1002 : 1VPVA.pdb.bin ( 25 - 35) INFO : 935 -25.176 = -16.000 - 80.50 * 0.338^2 ( 0.403) : EDFHVDQVTTV : Loop ID = 15 : 1QLPA.pdb.bin ( 183 - 193) INFO : 936 -25.203 = -13.000 - 80.50 * 0.389^2 ( 1.146) : GKYSFGATCVK : Loop ID = 501 : 1MOXA.pdb.bin ( 258 - 268) INFO : 937 -25.204 = -20.000 - 80.50 * 0.254^2 ( 0.778) : TNVLMADGSIE : Loop ID = 174 : 1GPPA.pdb.bin ( 7 - 17) INFO : 938 -25.218 = -17.000 - 80.50 * 0.320^2 ( 1.617) : GPLYSGTRAIG : Loop ID = 859 : 2SGFE.pdb.bin ( 142 - 152) INFO : 939 -25.251 = -14.000 - 80.50 * 0.374^2 ( 2.251) : GPVVCNGELQG : Loop ID = 1137 : 1SLUB.pdb.bin ( 171 - 181) INFO : 940 -25.279 = -18.000 - 80.50 * 0.301^2 ( 1.488) : LRFTDTKGKEQ : Loop ID = 805 : 1F52A.pdb.bin ( 18 - 28) INFO : 941 -25.324 = -17.000 - 80.50 * 0.322^2 ( 1.983) : VEIKFSNGSQD : Loop ID = 1035 : 1ZL6A.pdb.bin ( 130 - 140) INFO : 942 -25.354 = -17.000 - 80.50 * 0.322^2 ( 1.099) : LTGSVSELGNW : Loop ID = 456 : 1OT1A.pdb.bin ( 605 - 615) INFO : 943 -25.387 = -15.000 - 80.50 * 0.359^2 ( 1.583) : TRHYTKHAEGS : Loop ID = 840 : 1R6LA.pdb.bin ( 16 - 26) INFO : 944 -25.403 = -16.000 - 80.50 * 0.342^2 ( 1.292) : VFFQASGVSLQ : Loop ID = 642 : 1OFZA.pdb.bin ( 277 - 287) INFO : 945 -25.473 = -11.000 - 80.50 * 0.424^2 ( 1.501) : ICSTLPGNKYG : Loop ID = 811 : 1SUE_.pdb.bin ( 195 - 205) INFO : 946 -25.510 = -17.000 - 80.50 * 0.325^2 ( 1.401) : QPTISVFGVTG : Loop ID = 741 : 4LIPD.pdb.bin ( 213 - 223) INFO : 947 -25.513 = -21.000 - 80.50 * 0.237^2 ( 1.339) : IQLQRRNGSKF : Loop ID = 686 : 1UQ4A.pdb.bin ( 225 - 235) INFO : 948 -25.515 = -16.000 - 80.50 * 0.344^2 ( 1.277) : VFFQASGVSLQ : Loop ID = 629 : 1IUCA.pdb.bin ( 277 - 287) INFO : 949 -25.558 = -13.000 - 80.50 * 0.395^2 ( 0.937) : TNVFTGGKGDR : Loop ID = 308 : 1UMZA.pdb.bin ( 97 - 107) INFO : 950 -25.575 = -19.000 - 80.50 * 0.286^2 ( 1.818) : FSIRHENGAVE : Loop ID = 965 : 1NBWA.pdb.bin ( 473 - 483) INFO : 951 -25.580 = 3.000 - 80.50 * 0.596^2 ( 1.171) : PLIKSHNDFVA : Loop ID = 532 : 2F15A.pdb.bin ( 29 - 39) INFO : 952 -25.606 = -19.000 - 80.50 * 0.286^2 ( 1.764) : FMQIINKEHIK : Loop ID = 941 : 1GQZA.pdb.bin ( 192 - 202) INFO : 953 -25.609 = -18.000 - 80.50 * 0.307^2 ( 0.716) : SRYWQTGDMYQ : Loop ID = 134 : 1I5QA.pdb.bin ( 253 - 263) INFO : 954 -25.611 = -20.000 - 80.50 * 0.264^2 ( 0.758) : CYIDDRGFRYS : Loop ID = 159 : 1EAXA.pdb.bin ( 42 - 52) INFO : 955 -25.627 = -21.000 - 80.50 * 0.240^2 ( 0.834) : LNCPAADGSWQ : Loop ID = 213 : 1FONA.pdb.bin ( 182 - 192) INFO : 956 -25.648 = -17.000 - 80.50 * 0.328^2 ( 1.337) : YSFVDKGGREV : Loop ID = 682 : 1WU7A.pdb.bin ( 62 - 72) INFO : 957 -25.667 = -15.000 - 80.50 * 0.364^2 ( 1.786) : GPLICDGIIQG : Loop ID = 952 : 1FUJA.pdb.bin ( 177 - 187) INFO : 958 -25.676 = -20.000 - 80.50 * 0.266^2 ( 0.923) : TNVLMADGSIE : Loop ID = 293 : 1JVAA.pdb.bin ( 7 - 17) INFO : 959 -25.730 = -17.000 - 80.50 * 0.329^2 ( 1.227) : LTGNVSELGNW : Loop ID = 588 : 1UKSA.pdb.bin ( 605 - 615) INFO : 960 -25.735 = -20.000 - 80.50 * 0.267^2 ( 0.891) : HQFLLANQVVV : Loop ID = 265 : 1GPPA.pdb.bin ( 205 - 215) INFO : 961 -25.741 = -20.000 - 80.50 * 0.267^2 ( 0.882) : QEIGSGQFGLV : Loop ID = 257 : 1SM2A.pdb.bin ( 10 - 20) INFO : 962 -25.753 = -18.000 - 80.50 * 0.310^2 ( 0.802) : TIHAIWNGGVL : Loop ID = 192 : 2D80A.pdb.bin ( 267 - 277) INFO : 963 -25.822 = -17.000 - 80.50 * 0.331^2 ( 2.046) : FPIMLEGKING : Loop ID = 1062 : 1EP5A.pdb.bin ( 8 - 18) INFO : 964 -25.855 = -13.000 - 80.50 * 0.400^2 ( 2.062) : ETLDRTTNGTG : Loop ID = 1069 : 1ZCCA.pdb.bin ( 50 - 60) INFO : 965 -25.875 = -11.000 - 80.50 * 0.430^2 ( 1.743) : FLLYAMDSYWH : Loop ID = 929 : 1RUTX.pdb.bin ( 15 - 25) INFO : 966 -25.881 = -18.000 - 80.50 * 0.313^2 ( 1.775) : TEVELASGTVL : Loop ID = 948 : 1VGOA.pdb.bin ( 66 - 76) INFO : 967 -25.899 = -21.000 - 80.50 * 0.247^2 ( 1.102) : LPVGPAGGNQM : Loop ID = 460 : 1I1NA.pdb.bin ( 178 - 188) INFO : 968 -25.913 = -19.000 - 80.50 * 0.293^2 ( 1.532) : MPVRDNLGCVR : Loop ID = 820 : 1CCWB.pdb.bin ( 418 - 428) INFO : 969 -25.936 = -21.000 - 80.50 * 0.248^2 ( 0.630) : IQLQRRNGSKF : Loop ID = 94 : 1IFT_.pdb.bin ( 224 - 234) INFO : 970 -25.959 = -22.000 - 80.50 * 0.222^2 ( 0.856) : FARFVDAKTLE : Loop ID = 230 : 1GESA.pdb.bin ( 111 - 121) INFO : 971 -25.974 = -13.000 - 80.50 * 0.401^2 ( 1.386) : ETATAGEWQGK : Loop ID = 728 : 1ANJA.pdb.bin ( 209 - 219) INFO : 972 -25.982 = -20.000 - 80.50 * 0.273^2 ( 1.962) : CRVWDVEGREY : Loop ID = 1023 : 1SZSA.pdb.bin ( 31 - 41) INFO : 973 -25.986 = -20.000 - 80.50 * 0.273^2 ( 0.942) : IKLQSSDGEIF : Loop ID = 312 : 1FS1B.pdb.bin ( 2 - 12) INFO : 974 -25.987 = -19.000 - 80.50 * 0.295^2 ( 1.221) : YGTFADANTLL : Loop ID = 584 : 2A8XA.pdb.bin ( 109 - 119) INFO : 975 -26.040 = -17.000 - 80.50 * 0.335^2 ( 2.088) : MMGRTWLQQAL : Loop ID = 1079 : 1Q5NA.pdb.bin ( 146 - 156) INFO : 976 -26.044 = -17.000 - 80.50 * 0.335^2 ( 2.087) : AIIADDHGQVW : Loop ID = 1077 : 1GYHA.pdb.bin ( 130 - 140) INFO : 977 -26.081 = -21.000 - 80.50 * 0.251^2 ( 0.523) : VSYGTGVFAPG : Loop ID = 38 : 1H49A.pdb.bin ( 186 - 196) INFO : 978 -26.133 = -19.000 - 80.50 * 0.298^2 ( 0.559) : EAMPYGNQAYY : Loop ID = 57 : 1F58H.pdb.bin ( 99 - 109) INFO : 979 -26.148 = -18.000 - 80.50 * 0.318^2 ( 1.335) : KTLGTGSFGRV : Loop ID = 679 : 1XH8A.pdb.bin ( 35 - 45) INFO : 980 -26.148 = -20.000 - 80.50 * 0.276^2 ( 1.212) : YKFPSRSSGIF : Loop ID = 573 : 1VYIA.pdb.bin ( 27 - 37) INFO : 981 -26.234 = -18.000 - 80.50 * 0.320^2 ( 0.966) : SRYWQTGDMYQ : Loop ID = 332 : 1MY8A.pdb.bin ( 253 - 263) INFO : 982 -26.267 = -16.000 - 80.50 * 0.357^2 ( 0.834) : TMNTIQSKSLL : Loop ID = 214 : 1RYBA.pdb.bin ( 37 - 47) INFO : 983 -26.288 = -17.000 - 80.50 * 0.340^2 ( 1.486) : AYTFDAGPNAV : Loop ID = 802 : 1FI4A.pdb.bin ( 286 - 296) INFO : 984 -26.316 = -11.000 - 80.50 * 0.436^2 ( 1.603) : ICSTLPGNKYG : Loop ID = 851 : 1DUIA.pdb.bin ( 195 - 205) INFO : 985 -26.324 = -21.000 - 80.50 * 0.257^2 ( 0.599) : RYLPTDNGKLF : Loop ID = 72 : 1IZZA.pdb.bin ( 53 - 63) INFO : 986 -26.342 = -19.000 - 80.50 * 0.302^2 ( 1.402) : FDFVTAENCQK : Loop ID = 743 : 1F7SA.pdb.bin ( 67 - 77) INFO : 987 -26.346 = -17.000 - 80.50 * 0.341^2 ( 2.092) : FALMYEGRRVA : Loop ID = 1081 : 1X6VA.pdb.bin ( 262 - 272) INFO : 988 -26.356 = -21.000 - 80.50 * 0.258^2 ( 0.872) : LNCPAADGSWQ : Loop ID = 250 : 1PYTC.pdb.bin ( 198 - 208) INFO : 989 -26.390 = -18.000 - 80.50 * 0.323^2 ( 0.685) : SRYWQTGDMYQ : Loop ID = 116 : 1PI4A.pdb.bin ( 253 - 263) INFO : 990 -26.397 = -18.000 - 80.50 * 0.323^2 ( 1.613) : KTLGTGSFGRV : Loop ID = 856 : 1XH9A.pdb.bin ( 34 - 44) INFO : 991 -26.414 = -22.000 - 80.50 * 0.234^2 ( 0.517) : FARFVDAKTLE : Loop ID = 34 : 1GERA.pdb.bin ( 111 - 121) INFO : 992 -26.431 = -18.000 - 80.50 * 0.324^2 ( 0.912) : SRYWQTGDMYQ : Loop ID = 287 : 1L0FA.pdb.bin ( 253 - 263) INFO : 993 -26.444 = -20.000 - 80.50 * 0.283^2 ( 1.440) : CRVWDVEGREY : Loop ID = 773 : 1SFFA.pdb.bin ( 31 - 41) INFO : 994 -26.487 = -15.000 - 80.50 * 0.378^2 ( 1.822) : GPLICNGMWQG : Loop ID = 968 : 2PKAB.pdb.bin ( 105 - 115) INFO : 995 -26.493 = -20.000 - 80.50 * 0.284^2 ( 0.546) : TNVLMADGSIE : Loop ID = 49 : 1DFAA.pdb.bin ( 5 - 15) INFO : 996 -26.560 = -22.000 - 80.50 * 0.238^2 ( 1.031) : GKLIFCSGLVL : Loop ID = 384 : 1YJEA.pdb.bin ( 97 - 107) INFO : 997 -26.580 = -14.000 - 80.50 * 0.395^2 ( 0.628) : LEVKDRQGRAS : Loop ID = 92 : 1SNZA.pdb.bin ( 44 - 54) INFO : 998 -26.620 = -16.000 - 80.50 * 0.363^2 ( 1.714) : VTTMAKNKPTL : Loop ID = 913 : 1OK8A.pdb.bin ( 30 - 40) INFO : 999 -26.671 = -20.000 - 80.50 * 0.288^2 ( 0.781) : ETVVIGQGKPY : Loop ID = 177 : 2KINA.pdb.bin ( 35 - 45) INFO : 1000 -26.685 = -21.000 - 80.50 * 0.266^2 ( 1.756) : IQLQRRNGSKF : Loop ID = 937 : 1UQ5A.pdb.bin ( 225 - 235) INFO : 1001 -26.716 = -16.000 - 80.50 * 0.365^2 ( 1.700) : CVLSKGRETAD : Loop ID = 904 : 2BH1A.pdb.bin ( 97 - 107) INFO : 1002 -26.738 = -19.000 - 80.50 * 0.310^2 ( 1.381) : EGHVSNKPGIE : Loop ID = 721 : 1DQ3A.pdb.bin ( 249 - 259) INFO : 1003 -26.759 = -18.000 - 80.50 * 0.330^2 ( 1.989) : KTLGTGSFGRV : Loop ID = 1038 : 1YDRE.pdb.bin ( 32 - 42) INFO : 1004 -26.777 = -22.000 - 80.50 * 0.244^2 ( 0.806) : QGRVNQLGGVF : Loop ID = 197 : 1PDNC.pdb.bin ( 0 - 10) INFO : 1005 -26.778 = -18.000 - 80.50 * 0.330^2 ( 0.685) : SRYWQTGDMYQ : Loop ID = 115 : 1L0DA.pdb.bin ( 253 - 263) INFO : 1006 -26.790 = -20.000 - 80.50 * 0.290^2 ( 1.487) : AYAWDVDGNRY : Loop ID = 803 : 2GSAA.pdb.bin ( 43 - 53) INFO : 1007 -26.815 = -17.000 - 80.50 * 0.349^2 ( 1.935) : LYWTDSQNKKE : Loop ID = 1014 : 1T6BX.pdb.bin ( 118 - 128) INFO : 1008 -26.856 = -18.000 - 80.50 * 0.332^2 ( 1.807) : GTWYNQLGSTF : Loop ID = 962 : 1RXKA.pdb.bin ( 4 - 14) INFO : 1009 -26.861 = -18.000 - 80.50 * 0.332^2 ( 2.268) : KTLGTGSFGRV : Loop ID = 1144 : 1RDQE.pdb.bin ( 38 - 48) INFO : 1010 -26.879 = -17.000 - 80.50 * 0.350^2 ( 1.965) : GPLVCGDHLRG : Loop ID = 1026 : 1LO6A.pdb.bin ( 177 - 187) INFO : 1011 -26.882 = -18.000 - 80.50 * 0.332^2 ( 1.285) : KTLGTGSFGRV : Loop ID = 636 : 1SMHA.pdb.bin ( 46 - 56) INFO : 1012 -26.918 = -17.000 - 80.50 * 0.351^2 ( 1.390) : LTGNVSELGNW : Loop ID = 734 : 1D7FA.pdb.bin ( 605 - 615) INFO : 1013 -26.997 = -18.000 - 80.50 * 0.334^2 ( 1.518) : LFDLNFQAGFL : Loop ID = 816 : 1D4AA.pdb.bin ( 226 - 236) INFO : 1014 -27.011 = -11.000 - 80.50 * 0.446^2 ( 1.684) : QVVVKGDEVRE : Loop ID = 895 : 2AMHA.pdb.bin ( 77 - 87) INFO : 1015 -27.020 = -18.000 - 80.50 * 0.335^2 ( 0.586) : LTFPDKNGKNQ : Loop ID = 64 : 1LURA.pdb.bin ( 26 - 36) INFO : 1016 -27.038 = -21.000 - 80.50 * 0.274^2 ( 0.474) : SRLLLNNGAKM : Loop ID = 28 : 1ADS_.pdb.bin ( 1 - 11) INFO : 1017 -27.053 = -19.000 - 80.50 * 0.316^2 ( 0.407) : GWVLSYGSRCY : Loop ID = 16 : 1XDJA.pdb.bin ( 463 - 473) INFO : 1018 -27.074 = -18.000 - 80.50 * 0.336^2 ( 1.409) : VWNNTKLNSGK : Loop ID = 752 : 1XOVA.pdb.bin ( 266 - 276) INFO : 1019 -27.077 = -18.000 - 80.50 * 0.336^2 ( 0.939) : SRYWQTGDMYQ : Loop ID = 310 : 1O07A.pdb.bin ( 253 - 263) INFO : 1020 -27.095 = -19.000 - 80.50 * 0.317^2 ( 1.842) : RTVGLGRSSLR : Loop ID = 977 : 2CYEA.pdb.bin ( 71 - 81) INFO : 1021 -27.166 = -20.000 - 80.50 * 0.298^2 ( 0.865) : SRYWRIGDMYQ : Loop ID = 240 : 1FR1A.pdb.bin ( 256 - 266) INFO : 1022 -27.175 = -20.000 - 80.50 * 0.299^2 ( 1.837) : VSYGTGVLAPG : Loop ID = 975 : 1V03A.pdb.bin ( 185 - 195) INFO : 1023 -27.209 = -18.000 - 80.50 * 0.338^2 ( 0.795) : SRYWQTGDMYQ : Loop ID = 187 : 1L0GA.pdb.bin ( 253 - 263) INFO : 1024 -27.272 = -23.000 - 80.50 * 0.230^2 ( 1.083) : WAKVLDGKQVE : Loop ID = 439 : 1LVL_.pdb.bin ( 116 - 126) INFO : 1025 -27.298 = -22.000 - 80.50 * 0.257^2 ( 1.011) : SRFYLSKKKWV : Loop ID = 368 : 1AS4A.pdb.bin ( 181 - 191) INFO : 1026 -27.315 = -18.000 - 80.50 * 0.340^2 ( 0.799) : SRYWQTGDMYQ : Loop ID = 188 : 1L0EA.pdb.bin ( 253 - 263) INFO : 1027 -27.319 = -21.000 - 80.50 * 0.280^2 ( 1.222) : IQLQRRNGSKF : Loop ID = 585 : 1BR5A.pdb.bin ( 229 - 239) INFO : 1028 -27.427 = -17.000 - 80.50 * 0.360^2 ( 0.539) : MPFRVTEQESK : Loop ID = 46 : 1JTIA.pdb.bin ( 194 - 204) INFO : 1029 -27.430 = -20.000 - 80.50 * 0.304^2 ( 0.780) : FPIRRDDGSWE : Loop ID = 175 : 1HWXA.pdb.bin ( 62 - 72) INFO : 1030 -27.440 = -17.000 - 80.50 * 0.360^2 ( 1.545) : TPLVCEGLAHG : Loop ID = 821 : 1A7S_.pdb.bin ( 172 - 182) INFO : 1031 -27.442 = -21.000 - 80.50 * 0.283^2 ( 1.151) : AYLDYINGQHT : Loop ID = 511 : 1CLC_.pdb.bin ( 143 - 153) INFO : 1032 -27.442 = -17.000 - 80.50 * 0.360^2 ( 1.606) : GPLLCNNVAHG : Loop ID = 853 : 1CGHA.pdb.bin ( 182 - 192) INFO : 1033 -27.547 = -21.000 - 80.50 * 0.285^2 ( 0.541) : FSYGTGVFAPG : Loop ID = 47 : 1V08A.pdb.bin ( 186 - 196) INFO : 1034 -27.603 = -20.000 - 80.50 * 0.307^2 ( 2.096) : IPVEMDDGSVK : Loop ID = 1082 : 1BVUA.pdb.bin ( 38 - 48) INFO : 1035 -27.688 = -16.000 - 80.50 * 0.381^2 ( 1.235) : GPLLCAGVAHG : Loop ID = 594 : 3RP2A.pdb.bin ( 183 - 193) INFO : 1036 -27.688 = -18.000 - 80.50 * 0.347^2 ( 2.175) : KTLGTGSFGRV : Loop ID = 1118 : 1Q62A.pdb.bin ( 34 - 44) INFO : 1037 -27.700 = -22.000 - 80.50 * 0.266^2 ( 1.095) : IYLWDVEGRKY : Loop ID = 451 : 2OATA.pdb.bin ( 32 - 42) INFO : 1038 -27.777 = -19.000 - 80.50 * 0.330^2 ( 2.189) : ECMSTGFDQYK : Loop ID = 1122 : 1CVUA.pdb.bin ( 13 - 23) INFO : 1039 -27.901 = -18.000 - 80.50 * 0.351^2 ( 2.026) : VYTVAEGNNLE : Loop ID = 1055 : 1XI0A.pdb.bin ( 126 - 136) INFO : 1040 -28.006 = -17.000 - 80.50 * 0.370^2 ( 1.479) : TPLVCEGLAHG : Loop ID = 795 : 1FY3A.pdb.bin ( 170 - 180) INFO : 1041 -28.032 = -18.000 - 80.50 * 0.353^2 ( 2.102) : GTWYAQLGSTF : Loop ID = 1088 : 1N43A.pdb.bin ( 3 - 13) INFO : 1042 -28.078 = -21.000 - 80.50 * 0.297^2 ( 1.480) : HERWINNDVII : Loop ID = 796 : 1UKTA.pdb.bin ( 409 - 419) INFO : 1043 -28.136 = -22.000 - 80.50 * 0.276^2 ( 1.397) : APLQIADHTWQ : Loop ID = 738 : 1SMLA.pdb.bin ( 20 - 30) INFO : 1044 -28.185 = -20.000 - 80.50 * 0.319^2 ( 1.207) : YFLLKNDGTFI : Loop ID = 567 : 1UNQA.pdb.bin ( 26 - 36) INFO : 1045 -28.194 = -22.000 - 80.50 * 0.277^2 ( 1.137) : IYLWDVEGRKY : Loop ID = 492 : 2BYLA.pdb.bin ( 32 - 42) INFO : 1046 -28.328 = -21.000 - 80.50 * 0.302^2 ( 1.151) : HERWINNDVII : Loop ID = 513 : 1V3JA.pdb.bin ( 409 - 419) INFO : 1047 -28.430 = -19.000 - 80.50 * 0.342^2 ( 1.144) : EFRVDGEYNLY : Loop ID = 500 : 2SLI_.pdb.bin ( 369 - 379) INFO : 1048 -28.505 = -22.000 - 80.50 * 0.284^2 ( 1.263) : SRFYLSKKKWV : Loop ID = 613 : 3CAAA.pdb.bin ( 179 - 189) INFO : 1049 -28.533 = -25.000 - 80.50 * 0.209^2 ( 1.860) : FTLYDCLDRAW : Loop ID = 982 : 1EVLA.pdb.bin ( 226 - 236) INFO : 1050 -28.548 = -20.000 - 80.50 * 0.326^2 ( 2.174) : ISSLRQDGKTF : Loop ID = 1117 : 1ACC_.pdb.bin ( 594 - 604) INFO : 1051 -28.555 = -9.000 - 80.50 * 0.493^2 ( 1.269) : LVMRAQGNVYH : Loop ID = 620 : 1RUTX.pdb.bin ( 80 - 90) INFO : 1052 -28.575 = -18.000 - 80.50 * 0.362^2 ( 2.081) : RGRGFHYYYYG : Loop ID = 1074 : 1W72H.pdb.bin ( 97 - 107) INFO : 1053 -28.630 = -21.000 - 80.50 * 0.308^2 ( 2.150) : AWYSYKGEKIG : Loop ID = 1106 : 1U94A.pdb.bin ( 263 - 273) INFO : 1054 -28.661 = -20.000 - 80.50 * 0.328^2 ( 0.727) : SRYWRIGDMYQ : Loop ID = 142 : 1RGYA.pdb.bin ( 255 - 265) INFO : 1055 -28.703 = -22.000 - 80.50 * 0.289^2 ( 1.407) : APLQIADHTWQ : Loop ID = 746 : 2AIOA.pdb.bin ( 20 - 30) INFO : 1056 -28.716 = -22.000 - 80.50 * 0.289^2 ( 1.931) : IELGCGNFGSV : Loop ID = 1012 : 1U59A.pdb.bin ( 14 - 24) INFO : 1057 -28.717 = -24.000 - 80.50 * 0.242^2 ( 0.484) : TPLCVGAGSCN : Loop ID = 29 : 1YYMG.pdb.bin ( 40 - 50) INFO : 1058 -28.770 = -22.000 - 80.50 * 0.290^2 ( 1.478) : LPGYSHLQKAQ : Loop ID = 793 : 1TJUA.pdb.bin ( 138 - 148) INFO : 1059 -28.784 = -21.000 - 80.50 * 0.311^2 ( 0.901) : RYLPTDNGKLF : Loop ID = 275 : 1N57A.pdb.bin ( 54 - 64) INFO : 1060 -29.306 = -17.000 - 80.50 * 0.391^2 ( 1.917) : TPLVCEGLAHG : Loop ID = 1003 : 1FY1A.pdb.bin ( 176 - 186) INFO : 1061 -29.326 = -19.000 - 80.50 * 0.358^2 ( 1.354) : GPLNYNGLTYG : Loop ID = 704 : 1AZZA.pdb.bin ( 179 - 189) INFO : 1062 -29.364 = -24.000 - 80.50 * 0.258^2 ( 1.219) : LPGYTHLQKAQ : Loop ID = 582 : 1K7WA.pdb.bin ( 138 - 148) INFO : 1063 -29.464 = -23.000 - 80.50 * 0.283^2 ( 1.192) : FSYQLEDEPWK : Loop ID = 555 : 1EERB.pdb.bin ( 47 - 57) INFO : 1064 -29.491 = -23.000 - 80.50 * 0.284^2 ( 1.522) : PYNMDWRGRVY : Loop ID = 818 : 1MSWD.pdb.bin ( 396 - 406) INFO : 1065 -29.494 = -18.000 - 80.50 * 0.378^2 ( 2.060) : LCDNLAVGGTT : Loop ID = 1068 : 2BDQA.pdb.bin ( 25 - 35) INFO : 1066 -29.499 = -14.000 - 80.50 * 0.439^2 ( 0.643) : KKNRSLNGEKV : Loop ID = 101 : 1BKPA.pdb.bin ( 112 - 122) INFO : 1067 -29.500 = -23.000 - 80.50 * 0.284^2 ( 0.899) : VSDFDNAKGLN : Loop ID = 269 : 1F2FA.pdb.bin ( 44 - 54) INFO : 1068 -29.511 = -23.000 - 80.50 * 0.284^2 ( 2.172) : VSDFDNAKGLN : Loop ID = 1115 : 1O4RA.pdb.bin ( 46 - 56) INFO : 1069 -29.550 = -18.000 - 80.50 * 0.379^2 ( 1.996) : EYTVTEGDNLK : Loop ID = 1041 : 1Y2TA.pdb.bin ( 125 - 135) INFO : 1070 -29.610 = -19.000 - 80.50 * 0.363^2 ( 1.581) : QRDFLEYPEGS : Loop ID = 837 : 1UDOA.pdb.bin ( 15 - 25) INFO : 1071 -29.745 = -19.000 - 80.50 * 0.365^2 ( 1.413) : QRDFLEYPEGS : Loop ID = 757 : 1UDNA.pdb.bin ( 15 - 25) INFO : 1072 -29.861 = -24.000 - 80.50 * 0.270^2 ( 0.718) : CAHFTDDGRWN : Loop ID = 136 : 1DV8A.pdb.bin ( 101 - 111) INFO : 1073 -29.969 = -19.000 - 80.50 * 0.369^2 ( 1.616) : QRDFLEYPEGS : Loop ID = 858 : 1UDSA.pdb.bin ( 15 - 25) INFO : 1074 -29.974 = -20.000 - 80.50 * 0.352^2 ( 1.182) : TEILTVEYGPL : Loop ID = 544 : 1ZD7A.pdb.bin ( 5 - 15) INFO : 1075 -29.990 = -23.000 - 80.50 * 0.295^2 ( 1.317) : IEYSINNASLC : Loop ID = 663 : 1SSXA.pdb.bin ( 6 - 16) INFO : 1076 -30.133 = -24.000 - 80.50 * 0.276^2 ( 1.215) : LPGYTHLQKAQ : Loop ID = 576 : 1AUWA.pdb.bin ( 138 - 148) INFO : 1077 -30.179 = -20.000 - 80.50 * 0.356^2 ( 1.752) : ARYETSFDNSF : Loop ID = 935 : 2AGSA.pdb.bin ( 55 - 65) INFO : 1078 -30.368 = -23.000 - 80.50 * 0.303^2 ( 1.649) : LPGYDHLQKAQ : Loop ID = 879 : 1TJVA.pdb.bin ( 138 - 148) INFO : 1079 -30.437 = -24.000 - 80.50 * 0.283^2 ( 0.722) : VPYLKENGALG : Loop ID = 138 : 1XI1A.pdb.bin ( 398 - 408) INFO : 1080 -30.522 = -19.000 - 80.50 * 0.378^2 ( 1.730) : QRDFLEYPEGS : Loop ID = 924 : 1UDQA.pdb.bin ( 15 - 25) INFO : 1081 -30.540 = -24.000 - 80.50 * 0.285^2 ( 1.102) : LPGYTHLQKAQ : Loop ID = 459 : 1HY1A.pdb.bin ( 138 - 148) INFO : 1082 -30.678 = -18.000 - 80.50 * 0.397^2 ( 1.979) : DFLWFEGIAFP : Loop ID = 1032 : 1EFHA.pdb.bin ( 0 - 10) INFO : 1083 -30.724 = -19.000 - 80.50 * 0.382^2 ( 1.555) : ARYETSFDNSL : Loop ID = 827 : 1MS9A.pdb.bin ( 50 - 60) INFO : 1084 -30.765 = -21.000 - 80.50 * 0.348^2 ( 1.981) : EQRWINGDVYV : Loop ID = 1034 : 1CYG_.pdb.bin ( 405 - 415) INFO : 1085 -31.062 = -23.000 - 80.50 * 0.316^2 ( 1.215) : VQGVRGYDETE : Loop ID = 577 : 1WCUA.pdb.bin ( 76 - 86) INFO : 1086 -31.071 = -26.000 - 80.50 * 0.251^2 ( 2.105) : CELILSDGRRL : Loop ID = 1090 : 1MGVA.pdb.bin ( 34 - 44) INFO : 1087 -31.073 = -25.000 - 80.50 * 0.275^2 ( 0.989) : TKLIFCNGTVL : Loop ID = 350 : 1PDUA.pdb.bin ( 94 - 104) INFO : 1088 -31.287 = -23.000 - 80.50 * 0.321^2 ( 1.033) : VGHLYGVHAPG : Loop ID = 387 : 2CBUA.pdb.bin ( 170 - 180) INFO : 1089 -31.448 = -21.000 - 80.50 * 0.360^2 ( 1.059) : YGKITGKNQVT : Loop ID = 413 : 1ZMDA.pdb.bin ( 115 - 125) INFO : 1090 -31.457 = -23.000 - 80.50 * 0.324^2 ( 1.674) : MPGYTHLQKAL : Loop ID = 888 : 1I0AA.pdb.bin ( 144 - 154) INFO : 1091 -31.529 = -21.000 - 80.50 * 0.362^2 ( 2.100) : RELGQGSFGMV : Loop ID = 1084 : 1P14A.pdb.bin ( 22 - 32) INFO : 1092 -31.564 = -24.000 - 80.50 * 0.307^2 ( 1.469) : LPGYTNLQKAQ : Loop ID = 788 : 1DCNC.pdb.bin ( 138 - 148) INFO : 1093 -31.594 = -23.000 - 80.50 * 0.327^2 ( 1.235) : VGHLYGVHAPG : Loop ID = 593 : 1UZ1A.pdb.bin ( 170 - 180) INFO : 1094 -31.615 = -23.000 - 80.50 * 0.327^2 ( 1.996) : YPIITSSDEVQ : Loop ID = 1040 : 2F20A.pdb.bin ( 43 - 53) INFO : 1095 -31.659 = -21.000 - 80.50 * 0.364^2 ( 0.564) : FSYGTGVFAPG : Loop ID = 59 : 1HXJA.pdb.bin ( 187 - 197) INFO : 1096 -31.784 = -24.000 - 80.50 * 0.311^2 ( 1.787) : VPILLDDQTVQ : Loop ID = 953 : 1Z1AA.pdb.bin ( 98 - 108) INFO : 1097 -31.994 = -15.000 - 80.50 * 0.459^2 ( 1.591) : RSCDKGCAATS : Loop ID = 846 : 1MPXA.pdb.bin ( 368 - 378) INFO : 1098 -32.134 = -23.000 - 80.50 * 0.337^2 ( 1.478) : TRIATLDGELI : Loop ID = 794 : 1GXJA.pdb.bin ( 139 - 149) INFO : 1099 -32.181 = -20.000 - 80.50 * 0.389^2 ( 1.013) : DWVGYQRKCYF : Loop ID = 371 : 1E87A.pdb.bin ( 5 - 15) INFO : 1100 -32.302 = -21.000 - 80.50 * 0.375^2 ( 1.678) : WLFGWKKGSVF : Loop ID = 892 : 1K3IA.pdb.bin ( 346 - 356) INFO : 1101 -32.489 = -16.000 - 80.50 * 0.453^2 ( 2.216) : RFYVQDGKVIE : Loop ID = 1126 : 1OJJA.pdb.bin ( 283 - 293) INFO : 1102 -32.559 = -21.000 - 80.50 * 0.379^2 ( 2.187) : QQRWINNDVYV : Loop ID = 1121 : 1CGT_.pdb.bin ( 409 - 419) INFO : 1103 -32.746 = -12.000 - 80.50 * 0.508^2 ( 0.945) : SILIRGISKGI : Loop ID = 315 : 2A65A.pdb.bin ( 174 - 184) INFO : 1104 -32.794 = -21.000 - 80.50 * 0.383^2 ( 1.603) : WLFGWKKGSVF : Loop ID = 852 : 1T2XA.pdb.bin ( 335 - 345) INFO : 1105 -33.231 = -14.000 - 80.50 * 0.489^2 ( 0.878) : KKNRSLNGEKV : Loop ID = 255 : 1B02A.pdb.bin ( 113 - 123) INFO : 1106 -33.285 = -25.000 - 80.50 * 0.321^2 ( 2.110) : YGVELDYGGWM : Loop ID = 1092 : 1UMPA.pdb.bin ( 283 - 293) INFO : 1107 -33.565 = -17.000 - 80.50 * 0.454^2 ( 0.683) : RGYGSALDAPG : Loop ID = 114 : 1DWAM.pdb.bin ( 191 - 201) INFO : 1108 -33.715 = -17.000 - 80.50 * 0.456^2 ( 0.690) : RGYGSALDAPG : Loop ID = 118 : 1E4MM.pdb.bin ( 191 - 201) INFO : 1109 -33.844 = -15.000 - 80.50 * 0.484^2 ( 1.636) : TMNTNQFKSLL : Loop ID = 870 : 1RYNA.pdb.bin ( 38 - 48) INFO : 1110 -34.690 = -20.000 - 80.50 * 0.427^2 ( 2.052) : FGLWVDGNCEE : Loop ID = 1063 : 1W8KA.pdb.bin ( 192 - 202) INFO : 1111 -34.815 = -28.000 - 80.50 * 0.291^2 ( 0.324) : YPFFVFGQGWS : Loop ID = 9 : 1OA8A.pdb.bin ( 87 - 97) INFO : 1112 -35.563 = -22.000 - 80.50 * 0.410^2 ( 1.034) : LGHWTGEHAPG : Loop ID = 388 : 1UG6A.pdb.bin ( 167 - 177) INFO : 1113 -35.893 = -15.000 - 80.50 * 0.509^2 ( 2.285) : VDFHGATGALG : Loop ID = 1150 : 1BQ5_.pdb.bin ( 89 - 99) INFO : 1114 -36.360 = -22.000 - 80.50 * 0.422^2 ( 2.181) : AGYVTNKGRQK : Loop ID = 1120 : 1HRHA.pdb.bin ( 28 - 38) INFO : 1115 -36.520 = -27.000 - 80.50 * 0.344^2 ( 1.259) : YRFILNDGTML : Loop ID = 612 : 1OJ5A.pdb.bin ( 69 - 79) INFO : 1116 -36.560 = -23.000 - 80.50 * 0.410^2 ( 1.344) : APELQGWGGTM : Loop ID = 690 : 1ECSA.pdb.bin ( 91 - 101) INFO : 1117 -36.974 = -29.000 - 80.50 * 0.315^2 ( 1.917) : IGYLSFCGNMD : Loop ID = 1004 : 1K0EA.pdb.bin ( 377 - 387) INFO : 1118 -37.347 = -14.000 - 80.50 * 0.539^2 ( 1.155) : DYQELNGVKVV : Loop ID = 518 : 1FWXA.pdb.bin ( 231 - 241) INFO : 1119 -37.358 = -22.000 - 80.50 * 0.437^2 ( 2.143) : GSFIINGADRV : Loop ID = 1105 : 2A6HC.pdb.bin ( 124 - 134) INFO : 1120 -38.023 = -21.000 - 80.50 * 0.460^2 ( 1.323) : FNYYTNGVGNH : Loop ID = 667 : 1GBG_.pdb.bin ( 119 - 129) INFO : 1121 -38.380 = -23.000 - 80.50 * 0.437^2 ( 1.860) : FNYYTNGVGGH : Loop ID = 981 : 2AYH_.pdb.bin ( 119 - 129) INFO : 1122 -38.469 = -21.000 - 80.50 * 0.466^2 ( 1.909) : YDLRCGEYTLN : Loop ID = 1000 : 1TX2A.pdb.bin ( 3 - 13) INFO : 1123 -39.234 = -23.000 - 80.50 * 0.449^2 ( 1.522) : FNYYTNGVGGH : Loop ID = 819 : 1AXKA.pdb.bin ( 61 - 71) INFO : 1124 -39.486 = -23.000 - 80.50 * 0.453^2 ( 1.739) : FNYYTNGVGGH : Loop ID = 927 : 1U0AA.pdb.bin ( 119 - 129) INFO : 1125 -39.636 = -19.000 - 80.50 * 0.506^2 ( 1.648) : GALVVDGKKIT : Loop ID = 877 : 1DSSG.pdb.bin ( 60 - 70) INFO : 1126 -39.796 = -20.000 - 80.50 * 0.496^2 ( 1.161) : GGTGITKRDVT : Loop ID = 522 : 1Y5EA.pdb.bin ( 68 - 78) INFO : 1127 -39.846 = -18.000 - 80.50 * 0.521^2 ( 1.335) : PRGVQSGDRST : Loop ID = 678 : 1TU5A.pdb.bin ( 157 - 167) INFO : 1128 -40.086 = -26.000 - 80.50 * 0.418^2 ( 1.233) : MGYLTAYWPPF : Loop ID = 591 : 1VFFA.pdb.bin ( 161 - 171) INFO : 1129 -40.146 = -23.000 - 80.50 * 0.462^2 ( 1.459) : FNYYTNGVGGH : Loop ID = 783 : 1CPN_.pdb.bin ( 61 - 71) INFO : 1130 -40.214 = -24.000 - 80.50 * 0.449^2 ( 1.400) : WGLCCRKGDST : Loop ID = 740 : 1GYDB.pdb.bin ( 205 - 215) INFO : 1131 -40.354 = -23.000 - 80.50 * 0.464^2 ( 1.988) : FNYYTNGVGGH : Loop ID = 1037 : 1AJKA.pdb.bin ( 36 - 46) INFO : 1132 -40.440 = -23.000 - 80.50 * 0.465^2 ( 1.721) : FNYYTNGVGGH : Loop ID = 917 : 1MACA.pdb.bin ( 117 - 127) INFO : 1133 -40.717 = -24.000 - 80.50 * 0.456^2 ( 1.671) : WGLCCRKGDST : Loop ID = 885 : 1GYHA.pdb.bin ( 208 - 218) INFO : 1134 -41.070 = -17.000 - 80.50 * 0.547^2 ( 1.999) : DWSSYEGHCYK : Loop ID = 1046 : 1IODB.pdb.bin ( 4 - 14) INFO : 1135 -41.119 = -17.000 - 80.50 * 0.547^2 ( 1.483) : DWSSYKGHCYK : Loop ID = 801 : 1JWIA.pdb.bin ( 3 - 13) INFO : 1136 -41.973 = -24.000 - 80.50 * 0.473^2 ( 2.025) : VKGVYKDLEIH : Loop ID = 1054 : 1II7A.pdb.bin ( 130 - 140) INFO : 1137 -41.976 = -24.000 - 80.50 * 0.473^2 ( 2.243) : LAEGKLGPGLN : Loop ID = 1132 : 2C8SA.pdb.bin ( 48 - 58) INFO : 1138 -42.492 = -24.000 - 80.50 * 0.479^2 ( 1.925) : VKGVYKDLEIH : Loop ID = 1006 : 1S8EA.pdb.bin ( 130 - 140) INFO : 1139 -43.482 = -24.000 - 80.50 * 0.492^2 ( 1.519) : WGLCCRKGDST : Loop ID = 817 : 1GYEB.pdb.bin ( 206 - 216) INFO : 1140 -43.528 = -16.000 - 80.50 * 0.585^2 ( 2.111) : NNSTPLLGNFM : Loop ID = 1093 : 1T6LA.pdb.bin ( 71 - 81) INFO : 1141 -43.950 = -21.000 - 80.50 * 0.534^2 ( 2.012) : FGLWVDGNCED : Loop ID = 1052 : 1Z40A.pdb.bin ( 189 - 199) INFO : 1142 -43.970 = -17.000 - 80.50 * 0.579^2 ( 1.878) : GRYTFGASCVT : Loop ID = 986 : 1N8YC.pdb.bin ( 249 - 259) INFO : 1143 -44.063 = -13.000 - 80.50 * 0.621^2 ( 2.011) : IMVDMENNLFS : Loop ID = 1051 : 1WD3A.pdb.bin ( 198 - 208) INFO : 1144 -44.697 = -9.000 - 80.50 * 0.666^2 ( 1.952) : IFEVQPWNVIT : Loop ID = 1017 : 1H54A.pdb.bin ( 3 - 13) INFO : 1145 -45.803 = -21.000 - 80.50 * 0.555^2 ( 2.141) : WYAVIDGEIWL : Loop ID = 1104 : 1RFEA.pdb.bin ( 38 - 48) INFO : 1146 -48.779 = -18.000 - 80.50 * 0.618^2 ( 2.088) : PCDGPGRGGTC : Loop ID = 1080 : 1JB0B.pdb.bin ( 563 - 573) INFO : 1147 -50.509 = -17.000 - 80.50 * 0.645^2 ( 1.429) : GRYTFGASCVT : Loop ID = 763 : 2A91A.pdb.bin ( 261 - 271) INFO : 1148 -51.446 = -28.000 - 80.50 * 0.540^2 ( 1.789) : VKCVKFNDQLI : Loop ID = 956 : 1OQJA.pdb.bin ( 28 - 38) INFO : 1149 -51.934 = -17.000 - 80.50 * 0.659^2 ( 2.281) : DWSSYEGHCYK : Loop ID = 1148 : 1J34B.pdb.bin ( 4 - 14) INFO : 1150 -52.450 = -27.000 - 80.50 * 0.562^2 ( 1.745) : PGEWVDGYRLF : Loop ID = 933 : 2CZGA.pdb.bin ( 308 - 318) INFO : 1151 -56.821 = -23.000 - 80.50 * 0.648^2 ( 1.672) : AKYTYGAFCVK : Loop ID = 886 : 2AHXA.pdb.bin ( 251 - 261) WARN : Steric clash between D 113 -> I 66 = 3.156 in loop 490 - 1QNIA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.199 in loop 464 - 1CU5A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.196 in loop 299 - 141L_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.198 in loop 334 - 143L_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.156 in loop 882 - 197L_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.187 in loop 666 - 147L_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.194 in loop 438 - 1L29_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.158 in loop 906 - 1CX7A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.168 in loop 715 - 1L10_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.172 in loop 673 - 1L04_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.176 in loop 928 - 140L_.pdb.bin WARN : Steric clash between T 77 -> T 72 = 1.843 in loop 894 - 1Y4TA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.185 in loop 617 - 1L84_.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.910 in loop 534 - 1VB9A.pdb.bin WARN : Steric clash between D 113 -> P 67 = 3.177 in loop 919 - 1U7LA.pdb.bin WARN : Steric clash between E 112 -> K 68 = 1.798 in loop 1131 - 2CYHA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.162 in loop 896 - 258LA.pdb.bin WARN : Steric clash between A 115 -> T 72 = 2.797 in loop 324 - 1UM0A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.746 in loop 866 - 1JI2A.pdb.bin WARN : Steric clash between E 112 -> K 68 = 1.858 in loop 1108 - 1CYNA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.095 in loop 991 - 1D4DA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.117 in loop 627 - 1DJXA.pdb.bin WARN : Steric clash between E 112 -> K 68 = 3.184 in loop 426 - 1PYYA.pdb.bin WARN : Steric clash between E 112 -> K 68 = 3.131 in loop 605 - 1QMEA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.639 in loop 781 - 1J0HA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.060 in loop 537 - 1QASA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.995 in loop 445 - 1VHOA.pdb.bin WARN : Steric clash between H 64 -> G 69 = 2.265 in loop 50 - 1Z6OA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.192 in loop 48 - 1X6MA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.131 in loop 708 - 1YWPA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.675 in loop 1145 - 1WZKA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 3.105 in loop 129 - 1OUVA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.001 in loop 609 - 1HFC_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.133 in loop 13 - 1Q6GA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.164 in loop 998 - 1Z1AA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.169 in loop 398 - 1U8EA.pdb.bin WARN : Steric clash between E 112 -> K 68 = 2.515 in loop 96 - 1UUQA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.172 in loop 8 - 1Q6EA.pdb.bin WARN : Steric clash between A 115 -> G 69 = 3.109 in loop 1013 - 1Y97A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.135 in loop 18 - 1Q6DA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.097 in loop 444 - 1JYDA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.105 in loop 102 - 1V3IA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.818 in loop 813 - 1OUVA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.153 in loop 647 - 1X70A.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.056 in loop 2 - 2C3BA.pdb.bin WARN : Steric clash between D 113 -> K 68 = 0.370 in loop 736 - 1OUVA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.456 in loop 198 - 2B3JA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.017 in loop 521 - 1BYB_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.155 in loop 189 - 1ORVA.pdb.bin WARN : Steric clash between D 113 -> K 68 = 0.467 in loop 484 - 1KLXA.pdb.bin WARN : Steric clash between E 112 -> G 69 = 2.004 in loop 107 - 1PA2A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.028 in loop 209 - 1UKOA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.117 in loop 720 - 1JYJA.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.883 in loop 1087 - 1AOP_.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.501 in loop 60 - 1OUVA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.059 in loop 224 - 1V3HA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.985 in loop 154 - 1FXHB.pdb.bin WARN : Steric clash between D 113 -> K 68 = 0.836 in loop 111 - 1OUVA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.128 in loop 182 - 1JX9B.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.963 in loop 110 - 1H2GB.pdb.bin WARN : Steric clash between A 115 -> F 73 = 2.207 in loop 215 - 1S0WC.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.034 in loop 407 - 1UKPA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.849 in loop 137 - 1GK9B.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.068 in loop 698 - 1WDQA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.430 in loop 786 - 9PAP_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.077 in loop 145 - 1WDSA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.076 in loop 672 - 1WDRA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.948 in loop 770 - 1KECB.pdb.bin WARN : Steric clash between H 64 -> P 70 = 2.893 in loop 3 - 1D4AA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.840 in loop 565 - 1GKFB.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.062 in loop 643 - 1AJQB.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.080 in loop 607 - 1WDPA.pdb.bin WARN : Steric clash between E 112 -> K 68 = 3.167 in loop 1103 - 1HA7A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.193 in loop 955 - 1XVQA.pdb.bin WARN : Steric clash between D 113 -> K 68 = 0.848 in loop 616 - 1YXAA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.081 in loop 622 - 1V7WA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.044 in loop 909 - 1FA2A.pdb.bin WARN : Steric clash between E 112 -> P 71 = 3.135 in loop 554 - 1QOZA.pdb.bin WARN : Steric clash between D 113 -> T 72 = 2.993 in loop 104 - 1VPSA.pdb.bin WARN : Steric clash between H 64 -> P 70 = 2.583 in loop 81 - 1QRDA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 3.075 in loop 911 - 1HW5A.pdb.bin WARN : Steric clash between A 115 -> F 73 = 2.313 in loop 217 - 1XXMC.pdb.bin WARN : Steric clash between H 64 -> P 70 = 2.482 in loop 149 - 1HK8A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.158 in loop 823 - 1Y25A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.122 in loop 974 - 1IARB.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.167 in loop 68 - 1CP9B.pdb.bin WARN : Steric clash between D 113 -> I 66 = 2.970 in loop 1045 - 1GCI_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 2.933 in loop 366 - 1SCNE.pdb.bin WARN : Steric clash between A 115 -> F 73 = 2.502 in loop 533 - 1JTGB.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.111 in loop 614 - 2BVPA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.868 in loop 848 - 1D7YA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.161 in loop 963 - 1NTYA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.112 in loop 660 - 1ZHLA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.101 in loop 969 - 2BSSA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.248 in loop 80 - 1UIJA.pdb.bin WARN : Steric clash between E 112 -> K 68 = 2.583 in loop 7 - 1AORA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.128 in loop 540 - 1N2RA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.188 in loop 854 - 2AFHE.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.086 in loop 687 - 1XR9A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.159 in loop 701 - 1E27A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.168 in loop 1011 - 1ODOA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.114 in loop 800 - 1K5NA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.166 in loop 235 - 1QO3A.pdb.bin WARN : Steric clash between G 78 -> T 72 = 2.303 in loop 809 - 1WUOA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.112 in loop 646 - 1M6OA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.143 in loop 549 - 1SYVA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.187 in loop 298 - 1A1NA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.969 in loop 1033 - 1NW1A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.091 in loop 893 - 1HHKA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.149 in loop 725 - 2A83A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.145 in loop 85 - 1VGKA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.124 in loop 920 - 1M05A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.504 in loop 703 - 1FMTA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.107 in loop 638 - 1A9EA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.132 in loop 662 - 1A1OA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.177 in loop 317 - 1I4FA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.140 in loop 150 - 1S7QA.pdb.bin WARN : Steric clash between A 115 -> T 72 = 3.068 in loop 252 - 1HXN_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.170 in loop 1130 - 1LRWA.pdb.bin WARN : Steric clash between A 115 -> T 72 = 2.588 in loop 996 - 1QG3A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.042 in loop 1151 - 1QG3A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.056 in loop 661 - 1ZT1A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.145 in loop 550 - 1OGAA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.160 in loop 598 - 1QVOA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.152 in loop 463 - 1WBZA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.133 in loop 608 - 1LEKA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.132 in loop 597 - 1LK2A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.921 in loop 680 - 1TVZA.pdb.bin WARN : Steric clash between E 112 -> K 68 = 2.799 in loop 491 - 1FP2A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.176 in loop 284 - 1X7QA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.170 in loop 517 - 1YDPA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.672 in loop 604 - 1RY2A.pdb.bin WARN : Steric clash between G 78 -> T 72 = 2.284 in loop 163 - 1MDBA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.148 in loop 347 - 1JPFA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.087 in loop 1098 - 1K8DA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.142 in loop 479 - 1KJVA.pdb.bin WARN : Steric clash between G 78 -> T 72 = 2.501 in loop 884 - 1SDJA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.189 in loop 489 - 1JUFA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.184 in loop 348 - 1WBXA.pdb.bin WARN : Steric clash between T 77 -> F 73 = 2.493 in loop 370 - 2BNUB.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.128 in loop 583 - 1PG4A.pdb.bin WARN : Steric clash between A 115 -> T 72 = 3.193 in loop 352 - 1BD2E.pdb.bin WARN : Steric clash between D 113 -> I 66 = 2.991 in loop 1008 - 1JLYA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.183 in loop 469 - 1YN6A.pdb.bin WARN : Steric clash between D 113 -> P 70 = 2.319 in loop 659 - 1RLEA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.167 in loop 868 - 1WDKC.pdb.bin WARN : Steric clash between D 113 -> I 66 = 2.954 in loop 1071 - 1YKKB.pdb.bin WARN : Steric clash between T 77 -> F 73 = 2.507 in loop 639 - 1OGAE.pdb.bin WARN : Steric clash between D 113 -> I 66 = 2.936 in loop 1125 - 1YKPB.pdb.bin WARN : Steric clash between D 113 -> P 70 = 2.371 in loop 397 - 1VJJA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.154 in loop 871 - 1CWVA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.143 in loop 1095 - 1V8WA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.559 in loop 1043 - 1XJJA.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.879 in loop 380 - 1KCLA.pdb.bin WARN : Steric clash between A 114 -> G 69 = 3.044 in loop 872 - 1M33A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.131 in loop 349 - 1NSCA.pdb.bin WARN : Steric clash between T 77 -> F 73 = 2.662 in loop 989 - 2BDPA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.096 in loop 1139 - 1V8YA.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.087 in loop 109 - 1CBG_.pdb.bin WARN : Steric clash between D 113 -> P 70 = 3.011 in loop 777 - 1R7OA.pdb.bin WARN : Steric clash between D 113 -> P 70 = 3.050 in loop 972 - 1ODZA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.143 in loop 831 - 1L8FA.pdb.bin WARN : Steric clash between T 77 -> F 73 = 2.802 in loop 992 - 1NK4A.pdb.bin WARN : Steric clash between T 77 -> F 73 = 2.876 in loop 954 - 1U4BA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.220 in loop 790 - 1ILE_.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.947 in loop 383 - 1OT2A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.142 in loop 1142 - 1QSSA.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.720 in loop 428 - 1CXLA.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.870 in loop 472 - 1D3CA.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.821 in loop 478 - 1PJ9A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.913 in loop 528 - 1B9VA.pdb.bin WARN : Steric clash between A 115 -> T 72 = 0.797 in loop 722 - 3SIL_.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.183 in loop 1133 - 1CTT_.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.095 in loop 1109 - 1RY6A.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.854 in loop 456 - 1OT1A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 2.946 in loop 811 - 1SUE_.pdb.bin WARN : Steric clash between D 113 -> P 67 = 2.899 in loop 159 - 1EAXA.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.355 in loop 588 - 1UKSA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 2.879 in loop 1079 - 1Q5NA.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.175 in loop 38 - 1H49A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.457 in loop 214 - 1RYBA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.031 in loop 851 - 1DUIA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.781 in loop 913 - 1OK8A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.195 in loop 1144 - 1RDQE.pdb.bin WARN : Steric clash between T 77 -> K 68 = 2.511 in loop 734 - 1D7FA.pdb.bin WARN : Steric clash between A 115 -> T 72 = 2.983 in loop 752 - 1XOVA.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.172 in loop 975 - 1V03A.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.166 in loop 47 - 1V08A.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.198 in loop 1082 - 1BVUA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.075 in loop 1055 - 1XI0A.pdb.bin WARN : Steric clash between T 77 -> F 73 = 2.993 in loop 1074 - 1W72H.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.187 in loop 746 - 2AIOA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 3.081 in loop 793 - 1TJUA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 3.011 in loop 582 - 1K7WA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.577 in loop 101 - 1BKPA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.055 in loop 1041 - 1Y2TA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 2.933 in loop 576 - 1AUWA.pdb.bin WARN : Steric clash between A 115 -> T 72 = 1.221 in loop 935 - 2AGSA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 3.007 in loop 879 - 1TJVA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 3.018 in loop 459 - 1HY1A.pdb.bin WARN : Steric clash between A 115 -> T 72 = 1.091 in loop 827 - 1MS9A.pdb.bin WARN : Steric clash between D 113 -> T 72 = 2.709 in loop 387 - 2CBUA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 3.027 in loop 888 - 1I0AA.pdb.bin WARN : Steric clash between G 78 -> F 73 = 3.094 in loop 1084 - 1P14A.pdb.bin WARN : Steric clash between A 115 -> T 72 = 3.191 in loop 788 - 1DCNC.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.186 in loop 593 - 1UZ1A.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.040 in loop 1040 - 2F20A.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.041 in loop 59 - 1HXJA.pdb.bin WARN : Steric clash between T 77 -> K 68 = 1.872 in loop 846 - 1MPXA.pdb.bin WARN : Steric clash between T 77 -> F 73 = 2.878 in loop 1126 - 1OJJA.pdb.bin WARN : Steric clash between T 77 -> P 71 = 2.704 in loop 315 - 2A65A.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.042 in loop 114 - 1DWAM.pdb.bin WARN : Steric clash between E 95 -> G 69 = 3.037 in loop 118 - 1E4MM.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.360 in loop 870 - 1RYNA.pdb.bin WARN : Steric clash between E 95 -> G 69 = 2.907 in loop 388 - 1UG6A.pdb.bin WARN : Steric clash between T 77 -> T 72 = 3.101 in loop 1150 - 1BQ5_.pdb.bin WARN : Steric clash between A 115 -> F 73 = 2.997 in loop 1000 - 1TX2A.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.450 in loop 522 - 1Y5EA.pdb.bin WARN : Steric clash between D 113 -> T 72 = 2.395 in loop 591 - 1VFFA.pdb.bin WARN : Steric clash between D 113 -> I 66 = 3.119 in loop 1054 - 1II7A.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.254 in loop 1132 - 2C8SA.pdb.bin WARN : Steric clash between A 115 -> F 73 = 2.622 in loop 1006 - 1S8EA.pdb.bin WARN : Steric clash between D 113 -> P 67 = 1.705 in loop 1093 - 1T6LA.pdb.bin WARN : Steric clash between A 115 -> K 68 = 3.055 in loop 1080 - 1JB0B.pdb.bin WARN : Steric clash between G 78 -> F 73 = 2.340 in loop 956 - 1OQJA.pdb.bin INFO : Identifed 926 loops for gap 65 - 75 : 'NIPKGPPTFDA' WARN : Model missing 42 N-terminal residues WARN : Model missing 187 C-terminal residues ________________________________________________________________________________ INFO : Cyclic-Coordinate Descent (CCD) and selection for gap 65 - 75 INFO : CCD : Closed loop 196 in 562 N->C cycles (RMSD = 0.0799987 : N-C = 1.33658) INFO : CCD : Closed loop 400 in 73 N->C cycles (RMSD = 0.0799806 : N-C = 1.33357) INFO : CCD : Closed loop 35 in 66 N->C cycles (RMSD = 0.0799772 : N-C = 1.33956) INFO : CCD : Closed loop 1 in 89 N->C cycles (RMSD = 0.0799931 : N-C = 1.34342) INFO : CCD : Closed loop 1001 in 317 N->C cycles (RMSD = 0.0799967 : N-C = 1.33794) INFO : CCD : Closed loop 54 in 16 N->C cycles (RMSD = 0.0799655 : N-C = 1.33211) INFO : CCD : Closed loop 179 in 14 N->C cycles (RMSD = 0.0799603 : N-C = 1.33051) INFO : CCD : Closed loop 204 in 8 N->C cycles (RMSD = 0.0768482 : N-C = 1.31966) INFO : CCD : Closed loop 78 in 7 N->C cycles (RMSD = 0.0793409 : N-C = 1.33544) INFO : CCD : Closed loop 222 in 63 N->C cycles (RMSD = 0.0798706 : N-C = 1.33254) INFO : CCD : Closed loop 133 in 70 N->C cycles (RMSD = 0.0798468 : N-C = 1.33548) INFO : CCD : Closed loop 27 in 13 N->C cycles (RMSD = 0.0792334 : N-C = 1.35197) INFO : CCD : Closed loop 25 in 6 N->C cycles (RMSD = 0.0778551 : N-C = 1.31608) INFO : CCD : Closed loop 51 in 24 N->C cycles (RMSD = 0.0799707 : N-C = 1.33815) INFO : CCD : Closed loop 248 in 53 N->C cycles (RMSD = 0.0799412 : N-C = 1.34114) INFO : CCD : Closed loop 58 in 19 N->C cycles (RMSD = 0.0796295 : N-C = 1.34841) INFO : CCD : Closed loop 245 in 9 N->C cycles (RMSD = 0.0775806 : N-C = 1.30861) INFO : CCD : Closed loop 135 in 34 N->C cycles (RMSD = 0.0798021 : N-C = 1.33134) INFO : CCD : Closed loop 253 in 11 N->C cycles (RMSD = 0.0788631 : N-C = 1.29671) INFO : CCD : Closed loop 173 in 6 N->C cycles (RMSD = 0.0783397 : N-C = 1.32273) ________________________________________________________________________________ WARN : Number of combinations exceeds maximum number (20 = 20 > 10) INFO : Randomly assembling loop combinations INFO : Combining loops by simulated annealing. T = 2.00 -> 0 in 100 steps (T update = 0.02) INFO : Combination 1 / 10 INFO : 1 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 1 : Energy = -33.421 (T = 1.98) : I = 1 : R = 1 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 1.96) : I = 2 : R = 1 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 1.94) : I = 3 : R = 1 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -35.987 (T = 1.92) : I = 4 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.90) : I = 5 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 1 : Energy = -35.987 (T = 1.88) : I = 6 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.86) : I = 7 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.84) : I = 8 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.82) : I = 9 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.80) : I = 10 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.78) : I = 11 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.76) : I = 12 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.74) : I = 13 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.72) : I = 14 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.70) : I = 15 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.68) : I = 16 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.66) : I = 17 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.64) : I = 18 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.62) : I = 19 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.60) : I = 20 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.58) : I = 21 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 1 : Energy = -35.987 (T = 1.56) : I = 22 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.54) : I = 23 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.52) : I = 24 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.50) : I = 25 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.48) : I = 26 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.46) : I = 27 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.44) : I = 28 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.42) : I = 29 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.40) : I = 30 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.38) : I = 31 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.36) : I = 32 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.34) : I = 33 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.32) : I = 34 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.30) : I = 35 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.28) : I = 36 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.26) : I = 37 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.24) : I = 38 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.22) : I = 39 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.20) : I = 40 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.18) : I = 41 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.16) : I = 42 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.14) : I = 43 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.12) : I = 44 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.10) : I = 45 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.08) : I = 46 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.06) : I = 47 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.04) : I = 48 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.02) : I = 49 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 1.00) : I = 50 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.98) : I = 51 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -33.555 (T = 0.96) : I = 52 : R = 3 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 1 : Energy = -33.421 (T = 0.94) : I = 53 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 0.92) : I = 54 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -29.173 (T = 0.90) : I = 55 : R = 5 : RoG = 40.417 : PP = 32.858 : SP = 3.987 : SE = 6.347 : HO = -108.939 : TE = -3.842460 INFO : 1 : Energy = -30.603 (T = 0.88) : I = 56 : R = 6 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 1 : Energy = -30.638 (T = 0.86) : I = 57 : R = 7 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 1 : Energy = -31.144 (T = 0.84) : I = 58 : R = 8 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 1 : Energy = -31.144 (T = 0.82) : I = 59 : R = 8 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 1 : Energy = -30.594 (T = 0.80) : I = 60 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 1 : Energy = -30.594 (T = 0.78) : I = 61 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 1 : Energy = -31.144 (T = 0.76) : I = 62 : R = 10 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 1 : Energy = -30.638 (T = 0.74) : I = 63 : R = 11 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 1 : Energy = -30.638 (T = 0.72) : I = 64 : R = 11 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 1 : Energy = -31.207 (T = 0.70) : I = 65 : R = 12 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 1 : Energy = -33.421 (T = 0.68) : I = 66 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 1 : Energy = -33.421 (T = 0.66) : I = 67 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 0.64) : I = 68 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 0.62) : I = 69 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 0.60) : I = 70 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 0.58) : I = 71 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 0.56) : I = 72 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -33.421 (T = 0.54) : I = 73 : R = 13 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 1 : Energy = -35.987 (T = 0.52) : I = 74 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.50) : I = 75 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.48) : I = 76 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.46) : I = 77 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.44) : I = 78 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.42) : I = 79 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.40) : I = 80 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.38) : I = 81 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.36) : I = 82 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.34) : I = 83 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.32) : I = 84 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.30) : I = 85 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.28) : I = 86 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.26) : I = 87 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.24) : I = 88 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.22) : I = 89 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.20) : I = 90 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 1 : Energy = -35.987 (T = 0.18) : I = 91 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.16) : I = 92 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.14) : I = 93 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.12) : I = 94 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.10) : I = 95 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.08) : I = 96 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.06) : I = 97 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.04) : I = 98 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 1 : Energy = -35.987 (T = 0.02) : I = 99 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 2 / 10 INFO : 2 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 2 : Energy = -30.594 (T = 1.98) : I = 1 : R = 1 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 2 : Energy = -30.594 (T = 1.96) : I = 2 : R = 1 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 2 : Energy = -33.555 (T = 1.94) : I = 3 : R = 2 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 2 : Energy = -33.555 (T = 1.92) : I = 4 : R = 2 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 2 : Energy = -33.421 (T = 1.90) : I = 5 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 2 : Energy = -35.987 (T = 1.88) : I = 6 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.86) : I = 7 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.84) : I = 8 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.82) : I = 9 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.80) : I = 10 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.78) : I = 11 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.76) : I = 12 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.74) : I = 13 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.72) : I = 14 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.70) : I = 15 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.68) : I = 16 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.66) : I = 17 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.64) : I = 18 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.62) : I = 19 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.60) : I = 20 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 2 : Energy = -35.987 (T = 1.58) : I = 21 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.56) : I = 22 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.54) : I = 23 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.52) : I = 24 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.50) : I = 25 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.48) : I = 26 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.46) : I = 27 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.44) : I = 28 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.42) : I = 29 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.40) : I = 30 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.38) : I = 31 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.36) : I = 32 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.34) : I = 33 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.32) : I = 34 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.30) : I = 35 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.28) : I = 36 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 2 : Energy = -35.987 (T = 1.26) : I = 37 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.24) : I = 38 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.22) : I = 39 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.20) : I = 40 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.18) : I = 41 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.16) : I = 42 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.14) : I = 43 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.12) : I = 44 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.10) : I = 45 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.08) : I = 46 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.06) : I = 47 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.04) : I = 48 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.02) : I = 49 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 1.00) : I = 50 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.98) : I = 51 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.96) : I = 52 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.94) : I = 53 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.92) : I = 54 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.90) : I = 55 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 2 : Energy = -35.987 (T = 0.88) : I = 56 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 2 : Energy = -35.987 (T = 0.86) : I = 57 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.84) : I = 58 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.82) : I = 59 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.80) : I = 60 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.78) : I = 61 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.76) : I = 62 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.74) : I = 63 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.72) : I = 64 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.70) : I = 65 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.68) : I = 66 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.66) : I = 67 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.64) : I = 68 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.62) : I = 69 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.60) : I = 70 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.58) : I = 71 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.56) : I = 72 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.54) : I = 73 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.52) : I = 74 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.50) : I = 75 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.48) : I = 76 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.46) : I = 77 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.44) : I = 78 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.42) : I = 79 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.40) : I = 80 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.38) : I = 81 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.36) : I = 82 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.34) : I = 83 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.32) : I = 84 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.30) : I = 85 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.28) : I = 86 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.26) : I = 87 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.24) : I = 88 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.22) : I = 89 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.20) : I = 90 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.18) : I = 91 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.16) : I = 92 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.14) : I = 93 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.12) : I = 94 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.10) : I = 95 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.08) : I = 96 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.06) : I = 97 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.04) : I = 98 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 2 : Energy = -35.987 (T = 0.02) : I = 99 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 3 / 10 INFO : 3 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 3 : Energy = -30.594 (T = 1.98) : I = 1 : R = 1 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 3 : Energy = -30.068 (T = 1.96) : I = 2 : R = 2 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 3 : Energy = -30.068 (T = 1.94) : I = 3 : R = 2 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 3 : Energy = -30.239 (T = 1.92) : I = 4 : R = 3 : RoG = 40.496 : PP = 32.219 : SP = 3.215 : SE = 5.607 : HO = -107.963 : TE = -3.812912 INFO : 3 : Energy = -33.555 (T = 1.90) : I = 5 : R = 4 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 3 : Energy = -33.421 (T = 1.88) : I = 6 : R = 5 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.86) : I = 7 : R = 5 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -31.144 (T = 1.84) : I = 8 : R = 6 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 3 : Energy = -31.144 (T = 1.82) : I = 9 : R = 6 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 3 : Energy = -31.144 (T = 1.80) : I = 10 : R = 6 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 3 : Energy = -31.144 (T = 1.78) : I = 11 : R = 6 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 3 : Energy = -33.555 (T = 1.76) : I = 12 : R = 7 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 3 : Energy = -33.555 (T = 1.74) : I = 13 : R = 7 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 3 : Energy = -33.555 (T = 1.72) : I = 14 : R = 7 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 3 : Energy = -33.555 (T = 1.70) : I = 15 : R = 7 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 3 : Energy = -33.555 (T = 1.68) : I = 16 : R = 7 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 3 : Energy = -33.555 (T = 1.66) : I = 17 : R = 7 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 3 : Energy = -30.638 (T = 1.64) : I = 18 : R = 8 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 3 : Energy = -30.638 (T = 1.62) : I = 19 : R = 8 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 ERROR : Loop combination has steric clash INFO : 3 : Energy = -30.638 (T = 1.60) : I = 20 : R = 8 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 ERROR : Loop combination has steric clash INFO : 3 : Energy = -30.638 (T = 1.58) : I = 21 : R = 8 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 ERROR : Loop combination has steric clash INFO : 3 : Energy = -30.638 (T = 1.56) : I = 22 : R = 8 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 3 : Energy = -30.603 (T = 1.54) : I = 23 : R = 9 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 3 : Energy = -27.899 (T = 1.52) : I = 24 : R = 10 : RoG = 40.531 : PP = 31.204 : SP = 3.006 : SE = 11.496 : HO = -110.284 : TE = -3.852418 INFO : 3 : Energy = -28.589 (T = 1.50) : I = 25 : R = 11 : RoG = 40.478 : PP = 33.088 : SP = 3.558 : SE = 7.481 : HO = -109.326 : TE = -3.868868 INFO : 3 : Energy = -35.987 (T = 1.48) : I = 26 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.46) : I = 27 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.44) : I = 28 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.42) : I = 29 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.40) : I = 30 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.38) : I = 31 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.36) : I = 32 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.34) : I = 33 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 1.32) : I = 34 : R = 12 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -31.207 (T = 1.30) : I = 35 : R = 13 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 3 : Energy = -31.207 (T = 1.28) : I = 36 : R = 13 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 3 : Energy = -33.421 (T = 1.26) : I = 37 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.24) : I = 38 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 3 : Energy = -33.421 (T = 1.22) : I = 39 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.20) : I = 40 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 3 : Energy = -33.421 (T = 1.18) : I = 41 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.16) : I = 42 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.14) : I = 43 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.12) : I = 44 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.10) : I = 45 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.08) : I = 46 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.06) : I = 47 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.04) : I = 48 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.02) : I = 49 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 1.00) : I = 50 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.98) : I = 51 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.96) : I = 52 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.94) : I = 53 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.92) : I = 54 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.90) : I = 55 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.88) : I = 56 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.86) : I = 57 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.84) : I = 58 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.82) : I = 59 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.80) : I = 60 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 3 : Energy = -33.421 (T = 0.78) : I = 61 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.76) : I = 62 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 3 : Energy = -33.421 (T = 0.74) : I = 63 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.72) : I = 64 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.70) : I = 65 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.68) : I = 66 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.66) : I = 67 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.64) : I = 68 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.62) : I = 69 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.60) : I = 70 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -33.421 (T = 0.58) : I = 71 : R = 14 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 3 : Energy = -35.987 (T = 0.56) : I = 72 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 3 : Energy = -35.987 (T = 0.54) : I = 73 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.52) : I = 74 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.50) : I = 75 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.48) : I = 76 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.46) : I = 77 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.44) : I = 78 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.42) : I = 79 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.40) : I = 80 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 3 : Energy = -35.987 (T = 0.38) : I = 81 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.36) : I = 82 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.34) : I = 83 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.32) : I = 84 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.30) : I = 85 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.28) : I = 86 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.26) : I = 87 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.24) : I = 88 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.22) : I = 89 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.20) : I = 90 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.18) : I = 91 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.16) : I = 92 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.14) : I = 93 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.12) : I = 94 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.10) : I = 95 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.08) : I = 96 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.06) : I = 97 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.04) : I = 98 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 3 : Energy = -35.987 (T = 0.02) : I = 99 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 4 / 10 INFO : 4 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 4 : Energy = -30.068 (T = 1.98) : I = 1 : R = 1 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 4 : Energy = -33.421 (T = 1.96) : I = 2 : R = 2 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.94) : I = 3 : R = 2 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.92) : I = 4 : R = 2 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -30.638 (T = 1.90) : I = 5 : R = 3 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 4 : Energy = -30.603 (T = 1.88) : I = 6 : R = 4 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 4 : Energy = -31.207 (T = 1.86) : I = 7 : R = 5 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 4 : Energy = -33.421 (T = 1.84) : I = 8 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.82) : I = 9 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.80) : I = 10 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.78) : I = 11 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.76) : I = 12 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.74) : I = 13 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.72) : I = 14 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.70) : I = 15 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.68) : I = 16 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.66) : I = 17 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.64) : I = 18 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.62) : I = 19 : R = 6 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -35.987 (T = 1.60) : I = 20 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.58) : I = 21 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.56) : I = 22 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.54) : I = 23 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.52) : I = 24 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.50) : I = 25 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.48) : I = 26 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.46) : I = 27 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.44) : I = 28 : R = 7 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -33.421 (T = 1.42) : I = 29 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 4 : Energy = -33.421 (T = 1.40) : I = 30 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 4 : Energy = -33.421 (T = 1.38) : I = 31 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.421 (T = 1.36) : I = 32 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 4 : Energy = -33.555 (T = 1.34) : I = 33 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.32) : I = 34 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.30) : I = 35 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.28) : I = 36 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.26) : I = 37 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.24) : I = 38 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.22) : I = 39 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.20) : I = 40 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.18) : I = 41 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.16) : I = 42 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -33.555 (T = 1.14) : I = 43 : R = 9 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 4 : Energy = -35.987 (T = 1.12) : I = 44 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.10) : I = 45 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.08) : I = 46 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.06) : I = 47 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.04) : I = 48 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.02) : I = 49 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 1.00) : I = 50 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 4 : Energy = -35.987 (T = 0.98) : I = 51 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.96) : I = 52 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.94) : I = 53 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 4 : Energy = -35.987 (T = 0.92) : I = 54 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.90) : I = 55 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.88) : I = 56 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.86) : I = 57 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.84) : I = 58 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.82) : I = 59 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.80) : I = 60 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.78) : I = 61 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.76) : I = 62 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.74) : I = 63 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.72) : I = 64 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.70) : I = 65 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.68) : I = 66 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.66) : I = 67 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.64) : I = 68 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.62) : I = 69 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.60) : I = 70 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.58) : I = 71 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.56) : I = 72 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.54) : I = 73 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.52) : I = 74 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.50) : I = 75 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.48) : I = 76 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.46) : I = 77 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.44) : I = 78 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.42) : I = 79 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.40) : I = 80 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.38) : I = 81 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.36) : I = 82 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.34) : I = 83 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.32) : I = 84 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 4 : Energy = -35.987 (T = 0.30) : I = 85 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.28) : I = 86 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.26) : I = 87 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.24) : I = 88 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.22) : I = 89 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.20) : I = 90 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.18) : I = 91 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.16) : I = 92 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.14) : I = 93 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.12) : I = 94 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.10) : I = 95 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.08) : I = 96 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.06) : I = 97 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.04) : I = 98 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 4 : Energy = -35.987 (T = 0.02) : I = 99 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 5 / 10 INFO : 5 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 5 : Energy = -29.638 (T = 1.98) : I = 1 : R = 1 : RoG = 40.546 : PP = 32.294 : SP = 3.002 : SE = 7.301 : HO = -108.917 : TE = -3.863248 INFO : 5 : Energy = -31.144 (T = 1.96) : I = 2 : R = 2 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 5 : Energy = -33.421 (T = 1.94) : I = 3 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.92) : I = 4 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.90) : I = 5 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.88) : I = 6 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.86) : I = 7 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.84) : I = 8 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.82) : I = 9 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.80) : I = 10 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.78) : I = 11 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -33.421 (T = 1.76) : I = 12 : R = 3 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 5 : Energy = -35.987 (T = 1.74) : I = 13 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.72) : I = 14 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.70) : I = 15 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.68) : I = 16 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.66) : I = 17 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.64) : I = 18 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.62) : I = 19 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.60) : I = 20 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.58) : I = 21 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.56) : I = 22 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.54) : I = 23 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.52) : I = 24 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.50) : I = 25 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.48) : I = 26 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.46) : I = 27 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.44) : I = 28 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.42) : I = 29 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.40) : I = 30 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.38) : I = 31 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.36) : I = 32 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.34) : I = 33 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.32) : I = 34 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.30) : I = 35 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.28) : I = 36 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.26) : I = 37 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.24) : I = 38 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.22) : I = 39 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.20) : I = 40 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.18) : I = 41 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.16) : I = 42 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.14) : I = 43 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.12) : I = 44 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.10) : I = 45 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.08) : I = 46 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.06) : I = 47 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.04) : I = 48 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.02) : I = 49 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 1.00) : I = 50 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.98) : I = 51 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.96) : I = 52 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.94) : I = 53 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 5 : Energy = -35.987 (T = 0.92) : I = 54 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.90) : I = 55 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.88) : I = 56 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.86) : I = 57 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.84) : I = 58 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.82) : I = 59 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 5 : Energy = -35.987 (T = 0.80) : I = 60 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.78) : I = 61 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.76) : I = 62 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 5 : Energy = -35.987 (T = 0.74) : I = 63 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.72) : I = 64 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.70) : I = 65 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.68) : I = 66 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.66) : I = 67 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.64) : I = 68 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.62) : I = 69 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.60) : I = 70 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.58) : I = 71 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.56) : I = 72 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.54) : I = 73 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.52) : I = 74 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 5 : Energy = -35.987 (T = 0.50) : I = 75 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.48) : I = 76 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.46) : I = 77 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.44) : I = 78 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.42) : I = 79 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.40) : I = 80 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 5 : Energy = -35.987 (T = 0.38) : I = 81 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.36) : I = 82 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.34) : I = 83 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.32) : I = 84 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.30) : I = 85 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.28) : I = 86 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.26) : I = 87 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.24) : I = 88 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.22) : I = 89 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.20) : I = 90 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.18) : I = 91 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.16) : I = 92 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.14) : I = 93 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.12) : I = 94 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.10) : I = 95 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.08) : I = 96 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 5 : Energy = -35.987 (T = 0.06) : I = 97 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.04) : I = 98 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 5 : Energy = -35.987 (T = 0.02) : I = 99 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 6 / 10 INFO : 6 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 6 : Energy = -24.364 (T = 1.98) : I = 1 : R = 1 : RoG = 40.440 : PP = 33.514 : SP = 3.508 : SE = 10.877 : HO = -108.852 : TE = -3.850707 INFO : 6 : Energy = -28.529 (T = 1.96) : I = 2 : R = 2 : RoG = 40.468 : PP = 32.391 : SP = 3.539 : SE = 8.977 : HO = -110.044 : TE = -3.859912 INFO : 6 : Energy = -28.589 (T = 1.94) : I = 3 : R = 3 : RoG = 40.478 : PP = 33.088 : SP = 3.558 : SE = 7.481 : HO = -109.326 : TE = -3.868868 INFO : 6 : Energy = -29.638 (T = 1.92) : I = 4 : R = 4 : RoG = 40.546 : PP = 32.294 : SP = 3.002 : SE = 7.301 : HO = -108.917 : TE = -3.863248 INFO : 6 : Energy = -28.589 (T = 1.90) : I = 5 : R = 5 : RoG = 40.478 : PP = 33.088 : SP = 3.558 : SE = 7.481 : HO = -109.326 : TE = -3.868868 INFO : 6 : Energy = -27.899 (T = 1.88) : I = 6 : R = 6 : RoG = 40.531 : PP = 31.204 : SP = 3.006 : SE = 11.496 : HO = -110.284 : TE = -3.852418 INFO : 6 : Energy = -28.887 (T = 1.86) : I = 7 : R = 7 : RoG = 40.451 : PP = 31.914 : SP = 3.436 : SE = 8.120 : HO = -108.964 : TE = -3.843538 INFO : 6 : Energy = -28.887 (T = 1.84) : I = 8 : R = 7 : RoG = 40.451 : PP = 31.914 : SP = 3.436 : SE = 8.120 : HO = -108.964 : TE = -3.843538 INFO : 6 : Energy = -31.144 (T = 1.82) : I = 9 : R = 8 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 6 : Energy = -29.763 (T = 1.80) : I = 10 : R = 9 : RoG = 40.480 : PP = 32.050 : SP = 3.322 : SE = 7.533 : HO = -109.290 : TE = -3.859165 ERROR : Loop combination has steric clash INFO : 6 : Energy = -29.763 (T = 1.78) : I = 11 : R = 9 : RoG = 40.480 : PP = 32.050 : SP = 3.322 : SE = 7.533 : HO = -109.290 : TE = -3.859165 INFO : 6 : Energy = -30.239 (T = 1.76) : I = 12 : R = 10 : RoG = 40.496 : PP = 32.219 : SP = 3.215 : SE = 5.607 : HO = -107.963 : TE = -3.812912 INFO : 6 : Energy = -30.239 (T = 1.74) : I = 13 : R = 10 : RoG = 40.496 : PP = 32.219 : SP = 3.215 : SE = 5.607 : HO = -107.963 : TE = -3.812912 INFO : 6 : Energy = -30.594 (T = 1.72) : I = 14 : R = 11 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 6 : Energy = -28.529 (T = 1.70) : I = 15 : R = 12 : RoG = 40.468 : PP = 32.391 : SP = 3.539 : SE = 8.977 : HO = -110.044 : TE = -3.859912 INFO : 6 : Energy = -31.144 (T = 1.68) : I = 16 : R = 13 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 6 : Energy = -31.144 (T = 1.66) : I = 17 : R = 13 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 6 : Energy = -31.144 (T = 1.64) : I = 18 : R = 13 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 6 : Energy = -31.144 (T = 1.62) : I = 19 : R = 13 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 6 : Energy = -31.207 (T = 1.60) : I = 20 : R = 14 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 6 : Energy = -31.207 (T = 1.58) : I = 21 : R = 14 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 6 : Energy = -31.207 (T = 1.56) : I = 22 : R = 14 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 6 : Energy = -30.603 (T = 1.54) : I = 23 : R = 15 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 6 : Energy = -30.603 (T = 1.52) : I = 24 : R = 15 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 6 : Energy = -29.638 (T = 1.50) : I = 25 : R = 16 : RoG = 40.546 : PP = 32.294 : SP = 3.002 : SE = 7.301 : HO = -108.917 : TE = -3.863248 INFO : 6 : Energy = -30.239 (T = 1.48) : I = 26 : R = 17 : RoG = 40.496 : PP = 32.219 : SP = 3.215 : SE = 5.607 : HO = -107.963 : TE = -3.812912 INFO : 6 : Energy = -33.555 (T = 1.46) : I = 27 : R = 18 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.44) : I = 28 : R = 18 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.42) : I = 29 : R = 18 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.421 (T = 1.40) : I = 30 : R = 19 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 6 : Energy = -33.421 (T = 1.38) : I = 31 : R = 19 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -31.144 (T = 1.36) : I = 32 : R = 20 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 ERROR : Loop combination has steric clash INFO : 6 : Energy = -31.144 (T = 1.34) : I = 33 : R = 20 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 6 : Energy = -31.144 (T = 1.32) : I = 34 : R = 20 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 6 : Energy = -30.239 (T = 1.30) : I = 35 : R = 21 : RoG = 40.496 : PP = 32.219 : SP = 3.215 : SE = 5.607 : HO = -107.963 : TE = -3.812912 INFO : 6 : Energy = -30.068 (T = 1.28) : I = 36 : R = 22 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 6 : Energy = -30.068 (T = 1.26) : I = 37 : R = 22 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 6 : Energy = -29.763 (T = 1.24) : I = 38 : R = 23 : RoG = 40.480 : PP = 32.050 : SP = 3.322 : SE = 7.533 : HO = -109.290 : TE = -3.859165 INFO : 6 : Energy = -29.763 (T = 1.22) : I = 39 : R = 23 : RoG = 40.480 : PP = 32.050 : SP = 3.322 : SE = 7.533 : HO = -109.290 : TE = -3.859165 INFO : 6 : Energy = -33.555 (T = 1.20) : I = 40 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.18) : I = 41 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.16) : I = 42 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.14) : I = 43 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.12) : I = 44 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.10) : I = 45 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.08) : I = 46 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.06) : I = 47 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.04) : I = 48 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.02) : I = 49 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 1.00) : I = 50 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.98) : I = 51 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.96) : I = 52 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.94) : I = 53 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.92) : I = 54 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.90) : I = 55 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.88) : I = 56 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.86) : I = 57 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.84) : I = 58 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.82) : I = 59 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.80) : I = 60 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.78) : I = 61 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 ERROR : Loop combination has steric clash INFO : 6 : Energy = -33.555 (T = 0.76) : I = 62 : R = 24 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.421 (T = 0.74) : I = 63 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.72) : I = 64 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.70) : I = 65 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.68) : I = 66 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 6 : Energy = -33.421 (T = 0.66) : I = 67 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.64) : I = 68 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.62) : I = 69 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.60) : I = 70 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.58) : I = 71 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.56) : I = 72 : R = 25 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.555 (T = 0.54) : I = 73 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.52) : I = 74 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.50) : I = 75 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.48) : I = 76 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.46) : I = 77 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.44) : I = 78 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.42) : I = 79 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.555 (T = 0.40) : I = 80 : R = 26 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 6 : Energy = -33.421 (T = 0.38) : I = 81 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.36) : I = 82 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.34) : I = 83 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.32) : I = 84 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.30) : I = 85 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.28) : I = 86 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.26) : I = 87 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.24) : I = 88 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.22) : I = 89 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -33.421 (T = 0.20) : I = 90 : R = 27 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 6 : Energy = -35.987 (T = 0.18) : I = 91 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.16) : I = 92 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.14) : I = 93 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.12) : I = 94 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.10) : I = 95 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.08) : I = 96 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.06) : I = 97 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.04) : I = 98 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 6 : Energy = -35.987 (T = 0.02) : I = 99 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 7 / 10 INFO : 7 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 7 : Energy = -31.144 (T = 1.98) : I = 1 : R = 1 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 7 : Energy = -35.987 (T = 1.96) : I = 2 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.94) : I = 3 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.92) : I = 4 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.90) : I = 5 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.88) : I = 6 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.86) : I = 7 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.84) : I = 8 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.82) : I = 9 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -28.529 (T = 1.80) : I = 10 : R = 3 : RoG = 40.468 : PP = 32.391 : SP = 3.539 : SE = 8.977 : HO = -110.044 : TE = -3.859912 INFO : 7 : Energy = -29.792 (T = 1.78) : I = 11 : R = 4 : RoG = 40.516 : PP = 30.413 : SP = 3.245 : SE = 8.424 : HO = -108.592 : TE = -3.797687 INFO : 7 : Energy = -28.589 (T = 1.76) : I = 12 : R = 5 : RoG = 40.478 : PP = 33.088 : SP = 3.558 : SE = 7.481 : HO = -109.326 : TE = -3.868868 INFO : 7 : Energy = -31.207 (T = 1.74) : I = 13 : R = 6 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 7 : Energy = -31.207 (T = 1.72) : I = 14 : R = 6 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 7 : Energy = -30.603 (T = 1.70) : I = 15 : R = 7 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 7 : Energy = -31.207 (T = 1.68) : I = 16 : R = 8 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 7 : Energy = -31.207 (T = 1.66) : I = 17 : R = 8 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 7 : Energy = -31.207 (T = 1.64) : I = 18 : R = 8 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 7 : Energy = -31.207 (T = 1.62) : I = 19 : R = 8 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 7 : Energy = -30.068 (T = 1.60) : I = 20 : R = 9 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 7 : Energy = -33.555 (T = 1.58) : I = 21 : R = 10 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 7 : Energy = -35.987 (T = 1.56) : I = 22 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.54) : I = 23 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.52) : I = 24 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.50) : I = 25 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.48) : I = 26 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.46) : I = 27 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.44) : I = 28 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.42) : I = 29 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.40) : I = 30 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.38) : I = 31 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.36) : I = 32 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.34) : I = 33 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.32) : I = 34 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.30) : I = 35 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.28) : I = 36 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.26) : I = 37 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.24) : I = 38 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.22) : I = 39 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.20) : I = 40 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.18) : I = 41 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.16) : I = 42 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.14) : I = 43 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 7 : Energy = -35.987 (T = 1.12) : I = 44 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.10) : I = 45 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.08) : I = 46 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.06) : I = 47 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.04) : I = 48 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.02) : I = 49 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 1.00) : I = 50 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.98) : I = 51 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.96) : I = 52 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.94) : I = 53 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.92) : I = 54 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.90) : I = 55 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.88) : I = 56 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.86) : I = 57 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.84) : I = 58 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.82) : I = 59 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.80) : I = 60 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.78) : I = 61 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.76) : I = 62 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.74) : I = 63 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.72) : I = 64 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.70) : I = 65 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.68) : I = 66 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.66) : I = 67 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.64) : I = 68 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.62) : I = 69 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.60) : I = 70 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.58) : I = 71 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.56) : I = 72 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.54) : I = 73 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.52) : I = 74 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.50) : I = 75 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.48) : I = 76 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.46) : I = 77 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.44) : I = 78 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.42) : I = 79 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.40) : I = 80 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.38) : I = 81 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.36) : I = 82 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.34) : I = 83 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.32) : I = 84 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.30) : I = 85 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.28) : I = 86 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.26) : I = 87 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.24) : I = 88 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.22) : I = 89 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.20) : I = 90 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 7 : Energy = -35.987 (T = 0.18) : I = 91 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.16) : I = 92 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.14) : I = 93 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.12) : I = 94 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.10) : I = 95 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.08) : I = 96 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.06) : I = 97 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.04) : I = 98 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 7 : Energy = -35.987 (T = 0.02) : I = 99 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 8 / 10 INFO : 8 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 8 : Energy = -29.763 (T = 1.98) : I = 1 : R = 1 : RoG = 40.480 : PP = 32.050 : SP = 3.322 : SE = 7.533 : HO = -109.290 : TE = -3.859165 INFO : 8 : Energy = -35.987 (T = 1.96) : I = 2 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.94) : I = 3 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.92) : I = 4 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.90) : I = 5 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.88) : I = 6 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.86) : I = 7 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.84) : I = 8 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.82) : I = 9 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 8 : Energy = -35.987 (T = 1.80) : I = 10 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 8 : Energy = -35.987 (T = 1.78) : I = 11 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.76) : I = 12 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.74) : I = 13 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.72) : I = 14 : R = 2 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -31.144 (T = 1.70) : I = 15 : R = 3 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 8 : Energy = -30.239 (T = 1.68) : I = 16 : R = 4 : RoG = 40.496 : PP = 32.219 : SP = 3.215 : SE = 5.607 : HO = -107.963 : TE = -3.812912 INFO : 8 : Energy = -30.068 (T = 1.66) : I = 17 : R = 5 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 8 : Energy = -30.068 (T = 1.64) : I = 18 : R = 5 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 8 : Energy = -30.594 (T = 1.62) : I = 19 : R = 6 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 ERROR : Loop combination has steric clash INFO : 8 : Energy = -30.594 (T = 1.60) : I = 20 : R = 6 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -30.638 (T = 1.58) : I = 21 : R = 7 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 8 : Energy = -31.144 (T = 1.56) : I = 22 : R = 8 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 8 : Energy = -31.144 (T = 1.54) : I = 23 : R = 8 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 8 : Energy = -30.594 (T = 1.52) : I = 24 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -30.594 (T = 1.50) : I = 25 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -30.594 (T = 1.48) : I = 26 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -30.594 (T = 1.46) : I = 27 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -30.594 (T = 1.44) : I = 28 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -30.594 (T = 1.42) : I = 29 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -30.594 (T = 1.40) : I = 30 : R = 9 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -31.207 (T = 1.38) : I = 31 : R = 10 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 8 : Energy = -31.207 (T = 1.36) : I = 32 : R = 10 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 8 : Energy = -31.207 (T = 1.34) : I = 33 : R = 10 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 8 : Energy = -31.207 (T = 1.32) : I = 34 : R = 10 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 8 : Energy = -30.239 (T = 1.30) : I = 35 : R = 11 : RoG = 40.496 : PP = 32.219 : SP = 3.215 : SE = 5.607 : HO = -107.963 : TE = -3.812912 INFO : 8 : Energy = -31.144 (T = 1.28) : I = 36 : R = 12 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 ERROR : Loop combination has steric clash INFO : 8 : Energy = -31.144 (T = 1.26) : I = 37 : R = 12 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 8 : Energy = -30.594 (T = 1.24) : I = 38 : R = 13 : RoG = 40.711 : PP = 30.947 : SP = 2.887 : SE = 7.245 : HO = -108.546 : TE = -3.838661 INFO : 8 : Energy = -29.792 (T = 1.22) : I = 39 : R = 14 : RoG = 40.516 : PP = 30.413 : SP = 3.245 : SE = 8.424 : HO = -108.592 : TE = -3.797687 INFO : 8 : Energy = -33.421 (T = 1.20) : I = 40 : R = 15 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 8 : Energy = -33.421 (T = 1.18) : I = 41 : R = 15 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 8 : Energy = -33.421 (T = 1.16) : I = 42 : R = 15 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 8 : Energy = -33.421 (T = 1.14) : I = 43 : R = 15 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 8 : Energy = -33.421 (T = 1.12) : I = 44 : R = 15 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 8 : Energy = -33.421 (T = 1.10) : I = 45 : R = 15 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 8 : Energy = -35.987 (T = 1.08) : I = 46 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.06) : I = 47 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.04) : I = 48 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.02) : I = 49 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 1.00) : I = 50 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.98) : I = 51 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.96) : I = 52 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.94) : I = 53 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.92) : I = 54 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.90) : I = 55 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.88) : I = 56 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.86) : I = 57 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 8 : Energy = -35.987 (T = 0.84) : I = 58 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 8 : Energy = -35.987 (T = 0.82) : I = 59 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.80) : I = 60 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.78) : I = 61 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.76) : I = 62 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.74) : I = 63 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.72) : I = 64 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.70) : I = 65 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.68) : I = 66 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.66) : I = 67 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.64) : I = 68 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.62) : I = 69 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.60) : I = 70 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.58) : I = 71 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.56) : I = 72 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.54) : I = 73 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.52) : I = 74 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.50) : I = 75 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.48) : I = 76 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.46) : I = 77 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.44) : I = 78 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.42) : I = 79 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.40) : I = 80 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.38) : I = 81 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.36) : I = 82 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.34) : I = 83 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.32) : I = 84 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.30) : I = 85 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.28) : I = 86 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.26) : I = 87 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.24) : I = 88 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.22) : I = 89 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.20) : I = 90 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.18) : I = 91 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.16) : I = 92 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.14) : I = 93 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.12) : I = 94 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.10) : I = 95 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.08) : I = 96 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.06) : I = 97 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.04) : I = 98 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 8 : Energy = -35.987 (T = 0.02) : I = 99 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 9 / 10 INFO : 9 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 9 : Energy = -27.899 (T = 1.98) : I = 1 : R = 1 : RoG = 40.531 : PP = 31.204 : SP = 3.006 : SE = 11.496 : HO = -110.284 : TE = -3.852418 INFO : 9 : Energy = -29.792 (T = 1.96) : I = 2 : R = 2 : RoG = 40.516 : PP = 30.413 : SP = 3.245 : SE = 8.424 : HO = -108.592 : TE = -3.797687 INFO : 9 : Energy = -29.792 (T = 1.94) : I = 3 : R = 2 : RoG = 40.516 : PP = 30.413 : SP = 3.245 : SE = 8.424 : HO = -108.592 : TE = -3.797687 INFO : 9 : Energy = -29.763 (T = 1.92) : I = 4 : R = 3 : RoG = 40.480 : PP = 32.050 : SP = 3.322 : SE = 7.533 : HO = -109.290 : TE = -3.859165 INFO : 9 : Energy = -27.899 (T = 1.90) : I = 5 : R = 4 : RoG = 40.531 : PP = 31.204 : SP = 3.006 : SE = 11.496 : HO = -110.284 : TE = -3.852418 INFO : 9 : Energy = -29.173 (T = 1.88) : I = 6 : R = 5 : RoG = 40.417 : PP = 32.858 : SP = 3.987 : SE = 6.347 : HO = -108.939 : TE = -3.842460 INFO : 9 : Energy = -30.603 (T = 1.86) : I = 7 : R = 6 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 9 : Energy = -30.603 (T = 1.84) : I = 8 : R = 6 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 9 : Energy = -30.603 (T = 1.82) : I = 9 : R = 6 : RoG = 40.474 : PP = 32.243 : SP = 3.343 : SE = 7.272 : HO = -110.070 : TE = -3.864197 INFO : 9 : Energy = -30.638 (T = 1.80) : I = 10 : R = 7 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 9 : Energy = -30.638 (T = 1.78) : I = 11 : R = 7 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 9 : Energy = -28.529 (T = 1.76) : I = 12 : R = 8 : RoG = 40.468 : PP = 32.391 : SP = 3.539 : SE = 8.977 : HO = -110.044 : TE = -3.859912 INFO : 9 : Energy = -31.144 (T = 1.74) : I = 13 : R = 9 : RoG = 40.482 : PP = 31.936 : SP = 3.252 : SE = 6.945 : HO = -109.896 : TE = -3.862967 INFO : 9 : Energy = -31.207 (T = 1.72) : I = 14 : R = 10 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 9 : Energy = -33.555 (T = 1.70) : I = 15 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.68) : I = 16 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 ERROR : Loop combination has steric clash INFO : 9 : Energy = -33.555 (T = 1.66) : I = 17 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.64) : I = 18 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.62) : I = 19 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.60) : I = 20 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.58) : I = 21 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 ERROR : Loop combination has steric clash INFO : 9 : Energy = -33.555 (T = 1.56) : I = 22 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.54) : I = 23 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.52) : I = 24 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 ERROR : Loop combination has steric clash INFO : 9 : Energy = -33.555 (T = 1.50) : I = 25 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.48) : I = 26 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.46) : I = 27 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.44) : I = 28 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.42) : I = 29 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -33.555 (T = 1.40) : I = 30 : R = 11 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 9 : Energy = -31.207 (T = 1.38) : I = 31 : R = 12 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 9 : Energy = -30.068 (T = 1.36) : I = 32 : R = 13 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 9 : Energy = -35.987 (T = 1.34) : I = 33 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.32) : I = 34 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.30) : I = 35 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.28) : I = 36 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.26) : I = 37 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 9 : Energy = -35.987 (T = 1.24) : I = 38 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.22) : I = 39 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.20) : I = 40 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.18) : I = 41 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 9 : Energy = -35.987 (T = 1.16) : I = 42 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.14) : I = 43 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.12) : I = 44 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.10) : I = 45 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.08) : I = 46 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.06) : I = 47 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.04) : I = 48 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 9 : Energy = -35.987 (T = 1.02) : I = 49 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 1.00) : I = 50 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.98) : I = 51 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.96) : I = 52 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.94) : I = 53 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.92) : I = 54 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.90) : I = 55 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.88) : I = 56 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.86) : I = 57 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.84) : I = 58 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.82) : I = 59 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.80) : I = 60 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.78) : I = 61 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.76) : I = 62 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.74) : I = 63 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.72) : I = 64 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.70) : I = 65 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.68) : I = 66 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.66) : I = 67 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.64) : I = 68 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.62) : I = 69 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.60) : I = 70 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.58) : I = 71 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.56) : I = 72 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.54) : I = 73 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.52) : I = 74 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.50) : I = 75 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.48) : I = 76 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.46) : I = 77 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.44) : I = 78 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.42) : I = 79 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.40) : I = 80 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.38) : I = 81 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.36) : I = 82 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.34) : I = 83 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.32) : I = 84 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.30) : I = 85 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.28) : I = 86 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.26) : I = 87 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.24) : I = 88 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.22) : I = 89 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.20) : I = 90 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.18) : I = 91 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.16) : I = 92 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.14) : I = 93 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.12) : I = 94 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.10) : I = 95 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.08) : I = 96 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.06) : I = 97 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.04) : I = 98 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 9 : Energy = -35.987 (T = 0.02) : I = 99 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Combination 10 / 10 INFO : 10 : Energy = -38.586 (T = 2.00) : I = 0 : R = 0 : RoG = 40.987 : PP = 22.126 : SP = 3.928 : SE = 0.700 : HO = -102.552 : TE = -3.775082 INFO : 10 : Energy = -30.068 (T = 1.98) : I = 1 : R = 1 : RoG = 40.482 : PP = 31.403 : SP = 3.490 : SE = 7.504 : HO = -109.105 : TE = -3.841892 INFO : 10 : Energy = -33.421 (T = 1.96) : I = 2 : R = 2 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.94) : I = 3 : R = 2 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.92) : I = 4 : R = 2 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.90) : I = 5 : R = 2 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -31.207 (T = 1.88) : I = 6 : R = 3 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 10 : Energy = -33.421 (T = 1.86) : I = 7 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.84) : I = 8 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.82) : I = 9 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.80) : I = 10 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.78) : I = 11 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.76) : I = 12 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 ERROR : Loop combination has steric clash INFO : 10 : Energy = -33.421 (T = 1.74) : I = 13 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.72) : I = 14 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.70) : I = 15 : R = 4 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.555 (T = 1.68) : I = 16 : R = 5 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 10 : Energy = -33.555 (T = 1.66) : I = 17 : R = 5 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 10 : Energy = -33.555 (T = 1.64) : I = 18 : R = 5 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 10 : Energy = -33.555 (T = 1.62) : I = 19 : R = 5 : RoG = 40.513 : PP = 29.978 : SP = 3.285 : SE = 7.088 : HO = -110.565 : TE = -3.854766 INFO : 10 : Energy = -31.207 (T = 1.60) : I = 20 : R = 6 : RoG = 40.455 : PP = 29.990 : SP = 4.223 : SE = 7.339 : HO = -109.352 : TE = -3.861836 INFO : 10 : Energy = -30.638 (T = 1.58) : I = 21 : R = 7 : RoG = 40.523 : PP = 31.598 : SP = 3.568 : SE = 6.734 : HO = -109.225 : TE = -3.834935 INFO : 10 : Energy = -33.421 (T = 1.56) : I = 22 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.54) : I = 23 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.52) : I = 24 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.50) : I = 25 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.48) : I = 26 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.46) : I = 27 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -33.421 (T = 1.44) : I = 28 : R = 8 : RoG = 40.531 : PP = 29.961 : SP = 3.121 : SE = 5.343 : HO = -108.569 : TE = -3.807745 INFO : 10 : Energy = -35.987 (T = 1.42) : I = 29 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.40) : I = 30 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.38) : I = 31 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.36) : I = 32 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.34) : I = 33 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.32) : I = 34 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.30) : I = 35 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.28) : I = 36 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.26) : I = 37 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 10 : Energy = -35.987 (T = 1.24) : I = 38 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.22) : I = 39 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.20) : I = 40 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.18) : I = 41 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.16) : I = 42 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.14) : I = 43 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.12) : I = 44 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.10) : I = 45 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.08) : I = 46 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.06) : I = 47 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.04) : I = 48 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.02) : I = 49 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 1.00) : I = 50 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.98) : I = 51 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.96) : I = 52 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.94) : I = 53 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.92) : I = 54 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.90) : I = 55 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.88) : I = 56 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.86) : I = 57 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.84) : I = 58 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.82) : I = 59 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.80) : I = 60 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.78) : I = 61 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.76) : I = 62 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.74) : I = 63 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.72) : I = 64 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 10 : Energy = -35.987 (T = 0.70) : I = 65 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.68) : I = 66 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.66) : I = 67 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.64) : I = 68 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.62) : I = 69 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 10 : Energy = -35.987 (T = 0.60) : I = 70 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.58) : I = 71 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.56) : I = 72 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.54) : I = 73 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.52) : I = 74 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ERROR : Loop combination has steric clash INFO : 10 : Energy = -35.987 (T = 0.50) : I = 75 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.48) : I = 76 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.46) : I = 77 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.44) : I = 78 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.42) : I = 79 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.40) : I = 80 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.38) : I = 81 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.36) : I = 82 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.34) : I = 83 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.32) : I = 84 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.30) : I = 85 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.28) : I = 86 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.26) : I = 87 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.24) : I = 88 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.22) : I = 89 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.20) : I = 90 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.18) : I = 91 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.16) : I = 92 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.14) : I = 93 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.12) : I = 94 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.10) : I = 95 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.08) : I = 96 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.06) : I = 97 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.04) : I = 98 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : 10 : Energy = -35.987 (T = 0.02) : I = 99 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : Assembled 10 loop combinations ________________________________________________________________________________ INFO : Ranking final models by energy INFO : Outputting models to dir 'loop/model.1' INFO : model.1.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.2.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 9 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.3.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 11 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.4.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 16 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.5.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.6.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 28 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.7.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 15 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.8.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 10 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.9.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 14 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 INFO : model.10.pdb : Energy = -35.987 (T = 0) : I = 100 : R = 4 : RoG = 40.557 : PP = 30.346 : SP = 3.409 : SE = 6.177 : HO = -112.645 : TE = -3.830770 ________________________________________________________________________________ INFO : Model building complete 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