# command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading dunbrack-2191.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 53157 examples # computed average trans backbone unit before proline from 2010 examples # computed average cis backbone unit from 97 examples # trans (non-proline) backbone unit: # CA= -2.2087 1.0126 -0.0030 # O= -0.1499 2.2440 0.0016 # C= -0.6889 1.1368 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 -0.0000 0.0000 # cis backbone unit: # CA= -0.1436 2.4534 -0.0002 # O= -2.0284 0.9742 0.0015 # C= -0.8018 1.0771 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4668 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2100 1.0631 -0.0014 # O= -0.1236 2.2458 0.0075 # C= -0.6872 1.1517 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading dunbrack-2191.atoms have 2191 chains in training database # Count of chains,residues,atoms: 2191,500310,3902258 # 493341 residues have no bad marker # 3226 residues lack atoms needed to compute omega # 1453 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 4 # HAS_OXT 1167 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 3052 # HAS_UNKNOWN_ATOMS 9 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 979 # NON_PLANAR_PEPTIDE 888 # BAD_PEPTIDE 2680 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-2191.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0364/ # command:# Making conformation for sequence T0364 numbered 1 through 156 Created new target T0364 from T0364.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0364/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0364//projects/compbio/experiments/protein-predict/casp7/T0364/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0364//projects/compbio/experiments/protein-predict/casp7/T0364/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0364/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0364/align.constraints_v3.costfcn # future Constraint commands -> align # future HelixConstraint commands -> align # future StrandConstraint commands -> align # future SheetConstraint commands -> align # future Hbond commands -> align # future SSbond commands -> align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)L111.CB) [> 4.0192 = 6.6986 < 8.7082] w=1.0000 to align # Constraint # added constraint: constraint((T0364)T58.CB, (T0364)Q109.CB) [> 3.5121 = 5.8535 < 7.6096] w=1.0000 to align # Constraint # added constraint: constraint((T0364)T58.CB, (T0364)M110.CB) [> 4.3015 = 7.1691 < 9.3199] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)M110.CB) [> 2.8034 = 4.6723 < 6.0740] w=1.0000 to align # Constraint # added constraint: constraint((T0364)E60.CB, (T0364)Q109.CB) [> 4.2020 = 7.0033 < 9.1042] w=1.0000 to align # Constraint # added constraint: constraint((T0364)Y65.CB, (T0364)A105.CB) [> 3.0770 = 5.1284 < 6.6669] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L66.CB, (T0364)L104.CB) [> 3.6600 = 6.1000 < 7.9300] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L66.CB, (T0364)A105.CB) [> 3.6725 = 6.1209 < 7.9572] w=1.0000 to align # Constraint # added constraint: constraint((T0364)H67.CB, (T0364)L104.CB) [> 3.1431 = 5.2384 < 6.8100] w=1.0000 to align # Constraint # added constraint: constraint((T0364)V69.CB, (T0364)L104.CB) [> 3.3359 = 5.5598 < 7.2277] w=1.0000 to align # Constraint # added constraint: constraint((T0364)V75.CB, (T0364)L95.CB) [> 3.4458 = 5.7430 < 7.4659] w=1.0000 to align # Constraint # added constraint: constraint((T0364)W76.CB, (T0364)L95.CB) [> 4.2510 = 7.0850 < 9.2105] w=1.0000 to align # Constraint # added constraint: constraint((T0364)V77.CB, (T0364)H93.CB) [> 3.5348 = 5.8913 < 7.6587] w=1.0000 to align # Constraint # added constraint: constraint((T0364)V77.CB, (T0364)S94.CB) [> 4.4035 = 7.3392 < 9.5410] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L95.CB, (T0364)A106.CB) [> 4.3582 = 7.2637 < 9.4428] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L95.CB, (T0364)A105.CB) [> 2.6113 = 4.3522 < 5.6578] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L95.CB, (T0364)L104.CB) [> 2.7825 = 4.6376 < 6.0288] w=1.0000 to align # Constraint # added constraint: constraint((T0364)S94.CB, (T0364)A106.CB) [> 3.1566 = 5.2610 < 6.8392] w=1.0000 to align # Constraint # added constraint: constraint((T0364)S94.CB, (T0364)V103.CB) [> 3.7417 = 6.2362 < 8.1070] w=1.0000 to align # Constraint # added constraint: constraint((T0364)H93.CB, (T0364)Q109.CB) [> 4.0820 = 6.8034 < 8.8444] w=1.0000 to align # Constraint # added constraint: constraint((T0364)H93.CB, (T0364)A106.CB) [> 4.1697 = 6.9495 < 9.0343] w=1.0000 to align # Constraint # added constraint: constraint((T0364)V91.CB, (T0364)Q109.CB) [> 2.9761 = 4.9602 < 6.4482] w=1.0000 to align # Constraint # added constraint: constraint((T0364)H90.CB, (T0364)M110.CB) [> 3.2433 = 5.4056 < 7.0272] w=1.0000 to align # Constraint # added constraint: constraint((T0364)H90.CB, (T0364)Q109.CB) [> 4.3461 = 7.2436 < 9.4167] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L89.CB, (T0364)L111.CB) [> 2.9067 = 4.8444 < 6.2978] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L89.CB, (T0364)M110.CB) [> 4.3845 = 7.3075 < 9.4997] w=1.0000 to align # Constraint # added constraint: constraint((T0364)R88.CB, (T0364)L111.CB) [> 4.0320 = 6.7200 < 8.7360] w=1.0000 to align # Constraint # added constraint: constraint((T0364)R88.CB, (T0364)M110.CB) [> 3.6637 = 6.1062 < 7.9380] w=1.0000 to align # Constraint # added constraint: constraint((T0364)L56.CB, (T0364)L111.CB) [> 2.7338 = 4.5563 < 5.9232] w=0.9878 to align # Constraint # added constraint: constraint((T0364)A61.CB, (T0364)Q109.CB) [> 2.8280 = 4.7134 < 6.1274] w=0.9878 to align # Constraint # added constraint: constraint((T0364)E60.CB, (T0364)M110.CB) [> 2.5900 = 4.3166 < 5.6116] w=0.9878 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)L111.CB) [> 3.8514 = 6.4190 < 8.3447] w=0.9878 to align # Constraint # added constraint: constraint((T0364)T58.CB, (T0364)L111.CB) [> 3.4428 = 5.7380 < 7.4595] w=0.9878 to align # Constraint # added constraint: constraint((T0364)Y27.CB, (T0364)L95.CB) [> 3.7613 = 6.2689 < 8.1496] w=0.9758 to align # Constraint # added constraint: constraint((T0364)A34.CB, (T0364)V77.CB) [> 2.5823 = 4.3039 < 5.5950] w=0.9758 to align # Constraint # added constraint: constraint((T0364)A34.CB, (T0364)H93.CB) [> 3.6436 = 6.0726 < 7.8944] w=0.9668 to align # Constraint # added constraint: constraint((T0364)T79.CB, (T0364)H93.CB) [> 3.0086 = 5.0144 < 6.5187] w=0.9650 to align # Constraint # added constraint: constraint((T0364)T79.CB, (T0364)V91.CB) [> 3.3470 = 5.5782 < 7.2517] w=0.9650 to align # Constraint # added constraint: constraint((T0364)Q78.CB, (T0364)H93.CB) [> 4.1063 = 6.8438 < 8.8969] w=0.9650 to align # Constraint # added constraint: constraint((T0364)V77.CB, (T0364)L95.CB) [> 3.1812 = 5.3020 < 6.8926] w=0.9650 to align # Constraint # added constraint: constraint((T0364)V75.CB, (T0364)L104.CB) [> 4.0192 = 6.6986 < 8.7082] w=0.9650 to align # Constraint # added constraint: constraint((T0364)W76.CB, (T0364)H96.CB) [> 2.8770 = 4.7950 < 6.2334] w=0.9636 to align # Constraint # added constraint: constraint((T0364)V75.CB, (T0364)H96.CB) [> 4.1308 = 6.8847 < 8.9501] w=0.9636 to align # Constraint # added constraint: constraint((T0364)V91.CB, (T0364)L111.CB) [> 3.9586 = 6.5976 < 8.5769] w=0.9635 to align # Constraint # added constraint: constraint((T0364)H93.CB, (T0364)S107.CB) [> 2.8289 = 4.7148 < 6.1293] w=0.9635 to align # Constraint # added constraint: constraint((T0364)Y92.CB, (T0364)E108.CB) [> 3.3445 = 5.5742 < 7.2464] w=0.9635 to align # Constraint # added constraint: constraint((T0364)V91.CB, (T0364)E108.CB) [> 4.2293 = 7.0489 < 9.1635] w=0.9635 to align # Constraint # added constraint: constraint((T0364)H90.CB, (T0364)E108.CB) [> 3.8401 = 6.4002 < 8.3203] w=0.9635 to align # Constraint # added constraint: constraint((T0364)N64.CB, (T0364)A105.CB) [> 3.8788 = 6.4646 < 8.4039] w=0.9635 to align # Constraint # added constraint: constraint((T0364)I63.CB, (T0364)S107.CB) [> 2.5124 = 4.1874 < 5.4436] w=0.9635 to align # Constraint # added constraint: constraint((T0364)I63.CB, (T0364)A106.CB) [> 4.3316 = 7.2193 < 9.3851] w=0.9635 to align # Constraint # added constraint: constraint((T0364)I63.CB, (T0364)A105.CB) [> 3.5276 = 5.8794 < 7.6432] w=0.9635 to align # Constraint # added constraint: constraint((T0364)L66.CB, (T0364)V103.CB) [> 3.3039 = 5.5064 < 7.1584] w=0.9634 to align # Constraint # added constraint: constraint((T0364)Y65.CB, (T0364)L104.CB) [> 4.4454 = 7.4090 < 9.6317] w=0.9634 to align # Constraint # added constraint: constraint((T0364)L22.CB, (T0364)V69.CB) [> 2.4455 = 4.0759 < 5.2986] w=0.9624 to align # Constraint # added constraint: constraint((T0364)L22.CB, (T0364)E68.CB) [> 4.1353 = 6.8922 < 8.9598] w=0.9624 to align # Constraint # added constraint: constraint((T0364)H62.CB, (T0364)S107.CB) [> 3.6146 = 6.0244 < 7.8317] w=0.9598 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)Q109.CB) [> 3.3210 = 5.5350 < 7.1955] w=0.9547 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)V91.CB) [> 3.0371 = 5.0619 < 6.5804] w=0.9547 to align # Constraint # added constraint: constraint((T0364)W15.CB, (T0364)F26.CB) [> 2.8600 = 4.7667 < 6.1968] w=0.9528 to align # Constraint # added constraint: constraint((T0364)A61.CB, (T0364)E108.CB) [> 4.3190 = 7.1983 < 9.3578] w=0.9513 to align # Constraint # added constraint: constraint((T0364)A61.CB, (T0364)S107.CB) [> 3.8242 = 6.3737 < 8.2858] w=0.9513 to align # Constraint # added constraint: constraint((T0364)A61.CB, (T0364)M110.CB) [> 4.4261 = 7.3767 < 9.5898] w=0.9513 to align # Constraint # added constraint: constraint((T0364)H62.CB, (T0364)E108.CB) [> 2.9483 = 4.9138 < 6.3880] w=0.9500 to align # Constraint # added constraint: constraint((T0364)Q78.CB, (T0364)S94.CB) [> 3.0067 = 5.0112 < 6.5146] w=0.9420 to align # Constraint # added constraint: constraint((T0364)T79.CB, (T0364)Y92.CB) [> 4.2162 = 7.0270 < 9.1351] w=0.9420 to align # Constraint # added constraint: constraint((T0364)Q80.CB, (T0364)V91.CB) [> 4.1500 = 6.9167 < 8.9916] w=0.9420 to align # Constraint # added constraint: constraint((T0364)Q80.CB, (T0364)Y92.CB) [> 3.1144 = 5.1907 < 6.7479] w=0.9420 to align # Constraint # added constraint: constraint((T0364)I81.CB, (T0364)V91.CB) [> 3.3355 = 5.5592 < 7.2270] w=0.9420 to align # Constraint # added constraint: constraint((T0364)L82.CB, (T0364)V91.CB) [> 3.8576 = 6.4294 < 8.3582] w=0.9420 to align # Constraint # added constraint: constraint((T0364)L82.CB, (T0364)Y92.CB) [> 3.0127 = 5.0211 < 6.5275] w=0.9420 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)V69.CB) [> 3.4066 = 5.6777 < 7.3810] w=0.9408 to align # Constraint # added constraint: constraint((T0364)I30.CB, (T0364)V77.CB) [> 3.2473 = 5.4123 < 7.0359] w=0.9408 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)L112.CB) [> 3.2414 = 5.4023 < 7.0230] w=0.9393 to align # Constraint # added constraint: constraint((T0364)I30.CB, (T0364)L95.CB) [> 4.0586 = 6.7643 < 8.7936] w=0.9392 to align # Constraint # added constraint: constraint((T0364)Y27.CB, (T0364)A105.CB) [> 3.3113 = 5.5188 < 7.1744] w=0.9392 to align # Constraint # added constraint: constraint((T0364)A34.CB, (T0364)T79.CB) [> 2.7479 = 4.5799 < 5.9538] w=0.9318 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)T79.CB) [> 3.3483 = 5.5806 < 7.2547] w=0.9286 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)S107.CB) [> 3.1227 = 5.2045 < 6.7659] w=0.9271 to align # Constraint # added constraint: constraint((T0364)V69.CB, (T0364)R97.CB) [> 3.6210 = 6.0349 < 7.8454] w=0.9271 to align # Constraint # added constraint: constraint((T0364)H93.CB, (T0364)E108.CB) [> 4.3678 = 7.2797 < 9.4636] w=0.9269 to align # Constraint # added constraint: constraint((T0364)H67.CB, (T0364)E102.CB) [> 3.6011 = 6.0018 < 7.8024] w=0.9269 to align # Constraint # added constraint: constraint((T0364)Y92.CB, (T0364)S107.CB) [> 4.5026 = 7.5044 < 9.7556] w=0.9234 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)R88.CB) [> 4.2387 = 7.0645 < 9.1839] w=0.9157 to align # Constraint # added constraint: constraint((T0364)L56.CB, (T0364)L112.CB) [> 4.0646 = 6.7743 < 8.8066] w=0.9149 to align # Constraint # added constraint: constraint((T0364)R88.CB, (T0364)L112.CB) [> 3.3521 = 5.5868 < 7.2629] w=0.9149 to align # Constraint # added constraint: constraint((T0364)K87.CB, (T0364)L112.CB) [> 3.7652 = 6.2753 < 8.1579] w=0.9149 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)G72.CA) [> 3.0427 = 5.0711 < 6.5924] w=0.9079 to align # Constraint # added constraint: constraint((T0364)I81.CB, (T0364)H90.CB) [> 4.3201 = 7.2002 < 9.3602] w=0.9054 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)W76.CB) [> 4.3587 = 7.2645 < 9.4438] w=0.9044 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)V77.CB) [> 2.8568 = 4.7614 < 6.1898] w=0.9044 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)L22.CB) [> 3.2761 = 5.4602 < 7.0982] w=0.9044 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)T73.CB) [> 3.0053 = 5.0088 < 6.5115] w=0.9043 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)V75.CB) [> 3.8426 = 6.4044 < 8.3257] w=0.9042 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)V77.CB) [> 3.6444 = 6.0740 < 7.8962] w=0.9042 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)L112.CB) [> 3.0380 = 5.0634 < 6.5824] w=0.9027 to align # Constraint # added constraint: constraint((T0364)Y27.CB, (T0364)Y65.CB) [> 4.3978 = 7.3297 < 9.5286] w=0.9027 to align # Constraint # added constraint: constraint((T0364)I30.CB, (T0364)V75.CB) [> 3.9001 = 6.5002 < 8.4502] w=0.9027 to align # Constraint # added constraint: constraint((T0364)D24.CB, (T0364)Y65.CB) [> 3.6153 = 6.0254 < 7.8330] w=0.9027 to align # Constraint # added constraint: constraint((T0364)V75.CB, (T0364)R97.CB) [> 3.5459 = 5.9099 < 7.6829] w=0.8921 to align # Constraint # added constraint: constraint((T0364)L28.CB, (T0364)A61.CB) [> 4.1824 = 6.9707 < 9.0618] w=0.8905 to align # Constraint # added constraint: constraint((T0364)S94.CB, (T0364)A105.CB) [> 4.4882 = 7.4803 < 9.7244] w=0.8903 to align # Constraint # added constraint: constraint((T0364)H21.CB, (T0364)E68.CB) [> 2.5470 = 4.2451 < 5.5186] w=0.8874 to align # Constraint # added constraint: constraint((T0364)H21.CB, (T0364)V69.CB) [> 3.7883 = 6.3138 < 8.2079] w=0.8874 to align # Constraint # added constraint: constraint((T0364)Y92.CB, (T0364)A106.CB) [> 4.4934 = 7.4890 < 9.7357] w=0.8869 to align # Constraint # added constraint: constraint((T0364)H67.CB, (T0364)V103.CB) [> 4.2511 = 7.0852 < 9.2107] w=0.8867 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)A34.CB) [> 2.7738 = 4.6229 < 6.0098] w=0.8801 to align # Constraint # added constraint: constraint((T0364)R8.CB, (T0364)W76.CB) [> 3.1849 = 5.3082 < 6.9007] w=0.8798 to align # Constraint # added constraint: constraint((T0364)R8.CB, (T0364)V75.CB) [> 4.1571 = 6.9285 < 9.0071] w=0.8798 to align # Constraint # added constraint: constraint((T0364)Q78.CB, (T0364)H96.CB) [> 4.3522 = 7.2537 < 9.4298] w=0.8691 to align # Constraint # added constraint: constraint((T0364)L38.CB, (T0364)T79.CB) [> 2.8668 = 4.7781 < 6.2115] w=0.8679 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)V75.CB) [> 3.1088 = 5.1813 < 6.7357] w=0.8677 to align # Constraint # added constraint: constraint((T0364)T10.CB, (T0364)E74.CB) [> 3.3705 = 5.6175 < 7.3027] w=0.8677 to align # Constraint # added constraint: constraint((T0364)T6.CB, (T0364)Q78.CB) [> 3.0843 = 5.1405 < 6.6826] w=0.8557 to align # Constraint # added constraint: constraint((T0364)T6.CB, (T0364)V77.CB) [> 4.0381 = 6.7302 < 8.7493] w=0.8557 to align # Constraint # added constraint: constraint((T0364)H90.CB, (T0364)L111.CB) [> 4.5626 = 7.6044 < 9.8856] w=0.8541 to align # Constraint # added constraint: constraint((T0364)L66.CB, (T0364)A106.CB) [> 4.2039 = 7.0065 < 9.1084] w=0.8538 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)L111.CB) [> 4.2168 = 7.0280 < 9.1365] w=0.8451 to align # Constraint # added constraint: constraint((T0364)T6.CB, (T0364)W76.CB) [> 3.6806 = 6.1342 < 7.9745] w=0.8435 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)I30.CB) [> 3.2952 = 5.4920 < 7.1396] w=0.8434 to align # Constraint # added constraint: constraint((T0364)R8.CB, (T0364)V77.CB) [> 4.5205 = 7.5341 < 9.7944] w=0.8433 to align # Constraint # added constraint: constraint((T0364)R8.CB, (T0364)E74.CB) [> 3.5721 = 5.9535 < 7.7395] w=0.8433 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)K70.CB) [> 4.0405 = 6.7342 < 8.7545] w=0.8313 to align # Constraint # added constraint: constraint((T0364)L28.CB, (T0364)I63.CB) [> 3.6601 = 6.1002 < 7.9302] w=0.8296 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)L95.CB) [> 3.9977 = 6.6628 < 8.6616] w=0.8296 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)T79.CB) [> 2.9524 = 4.9206 < 6.3968] w=0.8179 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)Q78.CB) [> 4.3439 = 7.2398 < 9.4118] w=0.8179 to align # Constraint # added constraint: constraint((T0364)N64.CB, (T0364)S107.CB) [> 4.2890 = 7.1483 < 9.2928] w=0.8178 to align # Constraint # added constraint: constraint((T0364)G20.CA, (T0364)K70.CB) [> 3.9331 = 6.5552 < 8.5217] w=0.8154 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)L71.CB) [> 2.9993 = 4.9988 < 6.4985] w=0.8019 to align # Constraint # added constraint: constraint((T0364)L82.CB, (T0364)E108.CB) [> 4.3559 = 7.2598 < 9.4377] w=0.7959 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)E74.CB) [> 4.2417 = 7.0694 < 9.1903] w=0.7946 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)H93.CB) [> 3.6424 = 6.0707 < 7.8919] w=0.7944 to align # Constraint # added constraint: constraint((T0364)L56.CB, (T0364)H113.CB) [> 3.4444 = 5.7407 < 7.4628] w=0.7910 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)I63.CB) [> 4.2028 = 7.0047 < 9.1060] w=0.7893 to align # Constraint # added constraint: constraint((T0364)E74.CB, (T0364)R97.CB) [> 4.2162 = 7.0271 < 9.1352] w=0.7797 to align # Constraint # added constraint: constraint((T0364)K87.CB, (T0364)H113.CB) [> 3.2726 = 5.4543 < 7.0906] w=0.7788 to align # Constraint # added constraint: constraint((T0364)Y27.CB, (T0364)I63.CB) [> 3.9834 = 6.6390 < 8.6307] w=0.7772 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)Y33.CB) [> 3.7989 = 6.3316 < 8.2311] w=0.7591 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)A34.CB) [> 3.6989 = 6.1648 < 8.0143] w=0.7482 to align # Constraint # added constraint: constraint((T0364)S32.CB, (T0364)T58.CB) [> 3.8833 = 6.4723 < 8.4139] w=0.7443 to align # Constraint # added constraint: constraint((T0364)T6.CB, (T0364)T79.CB) [> 4.5102 = 7.5169 < 9.7720] w=0.7436 to align # Constraint # added constraint: constraint((T0364)E13.CB, (T0364)L71.CB) [> 3.4585 = 5.7641 < 7.4933] w=0.7403 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)T79.CB) [> 4.5403 = 7.5672 < 9.8374] w=0.7350 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)A37.CB) [> 3.7143 = 6.1906 < 8.0478] w=0.7264 to align # Constraint # added constraint: constraint((T0364)L56.CB, (T0364)L89.CB) [> 4.1797 = 6.9662 < 9.0561] w=0.7229 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)V77.CB) [> 4.1746 = 6.9577 < 9.0449] w=0.7219 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)E74.CB) [> 4.3521 = 7.2534 < 9.4295] w=0.7215 to align # Constraint # added constraint: constraint((T0364)L38.CB, (T0364)V91.CB) [> 3.7752 = 6.2920 < 8.1796] w=0.7112 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)L38.CB) [> 2.7233 = 4.5389 < 5.9006] w=0.7086 to align # Constraint # added constraint: constraint((T0364)Q12.CB, (T0364)L71.CB) [> 3.9729 = 6.6216 < 8.6081] w=0.6960 to align # Constraint # added constraint: constraint((T0364)V16.CB, (T0364)L71.CB) [> 3.4852 = 5.8088 < 7.5514] w=0.6938 to align # Constraint # added constraint: constraint((T0364)L89.CB, (T0364)H113.CB) [> 4.2068 = 7.0114 < 9.1148] w=0.6935 to align # Constraint # added constraint: constraint((T0364)Y27.CB, (T0364)L104.CB) [> 4.2522 = 7.0870 < 9.2130] w=0.6833 to align # Constraint # added constraint: constraint((T0364)L38.CB, (T0364)I81.CB) [> 3.9134 = 6.5224 < 8.4791] w=0.6762 to align # Constraint # added constraint: constraint((T0364)S55.CB, (T0364)H113.CB) [> 4.3029 = 7.1715 < 9.3229] w=0.6692 to align # Constraint # added constraint: constraint((T0364)N54.CB, (T0364)H113.CB) [> 3.4292 = 5.7153 < 7.4299] w=0.6679 to align # Constraint # added constraint: constraint((T0364)M39.CB, (T0364)L56.CB) [> 3.2801 = 5.4669 < 7.1070] w=0.6627 to align # Constraint # added constraint: constraint((T0364)L4.CB, (T0364)T79.CB) [> 4.0139 = 6.6898 < 8.6967] w=0.6598 to align # Constraint # added constraint: constraint((T0364)L4.CB, (T0364)Q80.CB) [> 3.0132 = 5.0220 < 6.5286] w=0.6476 to align # Constraint # added constraint: constraint((T0364)I81.CB, (T0364)Y92.CB) [> 4.5689 = 7.6148 < 9.8992] w=0.6467 to align # Constraint # added constraint: constraint((T0364)T10.CB, (T0364)G72.CA) [> 3.6821 = 6.1369 < 7.9780] w=0.6466 to align # Constraint # added constraint: constraint((T0364)D24.CB, (T0364)I63.CB) [> 4.3216 = 7.2026 < 9.3634] w=0.6447 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)A37.CB) [> 3.4326 = 5.7211 < 7.4374] w=0.6388 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)T79.CB) [> 4.5553 = 7.5921 < 9.8697] w=0.6232 to align # Constraint # added constraint: constraint((T0364)T10.CB, (T0364)V75.CB) [> 4.5433 = 7.5722 < 9.8439] w=0.6230 to align # Constraint # added constraint: constraint((T0364)Q12.CB, (T0364)G72.CA) [> 4.3959 = 7.3264 < 9.5244] w=0.6106 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)V114.CB) [> 3.5001 = 5.8335 < 7.5835] w=0.6074 to align # Constraint # added constraint: constraint((T0364)L28.CB, (T0364)S107.CB) [> 4.3343 = 7.2239 < 9.3910] w=0.5877 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)I30.CB) [> 3.9554 = 6.5924 < 8.5701] w=0.5853 to align # Constraint # added constraint: constraint((T0364)L4.CB, (T0364)Q78.CB) [> 3.9125 = 6.5208 < 8.4770] w=0.5745 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)A105.CB) [> 4.2602 = 7.1003 < 9.2304] w=0.5617 to align # Constraint # added constraint: constraint((T0364)A34.CB, (T0364)Q78.CB) [> 4.2471 = 7.0785 < 9.2021] w=0.5553 to align # Constraint # added constraint: constraint((T0364)G20.CA, (T0364)L71.CB) [> 3.9460 = 6.5767 < 8.5497] w=0.5477 to align # Constraint # added constraint: constraint((T0364)S55.CB, (T0364)V114.CB) [> 3.3447 = 5.5745 < 7.2468] w=0.5465 to align # Constraint # added constraint: constraint((T0364)Y27.CB, (T0364)V75.CB) [> 4.3016 = 7.1694 < 9.3202] w=0.5388 to align # Constraint # added constraint: constraint((T0364)S94.CB, (T0364)S107.CB) [> 4.6214 = 7.7024 < 10.0131] w=0.5349 to align # Constraint # added constraint: constraint((T0364)N54.CB, (T0364)V114.CB) [> 4.1848 = 6.9746 < 9.0670] w=0.5221 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)L56.CB) [> 3.7429 = 6.2381 < 8.1096] w=0.5166 to align # Constraint # added constraint: constraint((T0364)L22.CB, (T0364)V75.CB) [> 4.3002 = 7.1670 < 9.3170] w=0.5132 to align # Constraint # added constraint: constraint((T0364)Y27.CB, (T0364)V69.CB) [> 4.1138 = 6.8564 < 8.9133] w=0.5118 to align # Constraint # added constraint: constraint((T0364)S32.CB, (T0364)A61.CB) [> 3.8243 = 6.3739 < 8.2860] w=0.5097 to align # Constraint # added constraint: constraint((T0364)E74.CB, (T0364)A98.CB) [> 3.3298 = 5.5497 < 7.2147] w=0.5031 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)A61.CB) [> 4.2668 = 7.1114 < 9.2448] w=0.4985 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)T58.CB) [> 4.2583 = 7.0972 < 9.2264] w=0.4762 to align # Constraint # added constraint: constraint((T0364)L38.CB, (T0364)Q80.CB) [> 4.2472 = 7.0786 < 9.2022] w=0.4733 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)R41.CB) [> 3.9522 = 6.5870 < 8.5632] w=0.4686 to align # Constraint # added constraint: constraint((T0364)Q80.CB, (T0364)H93.CB) [> 4.6260 = 7.7100 < 10.0230] w=0.4683 to align # Constraint # added constraint: constraint((T0364)T58.CB, (T0364)L112.CB) [> 4.6563 = 7.7605 < 10.0886] w=0.4631 to align # Constraint # added constraint: constraint((T0364)M39.CB, (T0364)L111.CB) [> 3.0351 = 5.0585 < 6.5761] w=0.4556 to align # Constraint # added constraint: constraint((T0364)L89.CB, (T0364)L112.CB) [> 4.6574 = 7.7624 < 10.0911] w=0.4537 to align # Constraint # added constraint: constraint((T0364)L56.CB, (T0364)V114.CB) [> 4.3202 = 7.2003 < 9.3603] w=0.4506 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)T58.CB) [> 4.0683 = 6.7805 < 8.8147] w=0.4501 to align # Constraint # added constraint: constraint((T0364)L22.CB, (T0364)L71.CB) [> 4.3361 = 7.2268 < 9.3948] w=0.4403 to align # Constraint # added constraint: constraint((T0364)M39.CB, (T0364)L89.CB) [> 3.2459 = 5.4099 < 7.0329] w=0.4326 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)L111.CB) [> 4.0757 = 6.7929 < 8.8308] w=0.4294 to align # Constraint # added constraint: constraint((T0364)M39.CB, (T0364)V91.CB) [> 3.9070 = 6.5116 < 8.4651] w=0.4294 to align # Constraint # added constraint: constraint((T0364)V16.CB, (T0364)K70.CB) [> 4.3689 = 7.2815 < 9.4659] w=0.4286 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)Q80.CB) [> 4.3446 = 7.2409 < 9.4132] w=0.4275 to align # Constraint # added constraint: constraint((T0364)K87.CB, (T0364)S121.CB) [> 2.7362 = 4.5604 < 5.9285] w=0.4264 to align # Constraint # added constraint: constraint((T0364)L112.CB, (T0364)S121.CB) [> 3.1372 = 5.2288 < 6.7974] w=0.4264 to align # Constraint # added constraint: constraint((T0364)H113.CB, (T0364)A122.CB) [> 3.1806 = 5.3011 < 6.8914] w=0.4264 to align # Constraint # added constraint: constraint((T0364)T73.CB, (T0364)A98.CB) [> 4.0310 = 6.7182 < 8.7337] w=0.4205 to align # Constraint # added constraint: constraint((T0364)A3.CB, (T0364)Q80.CB) [> 3.8708 = 6.4514 < 8.3868] w=0.4164 to align # Constraint # added constraint: constraint((T0364)E60.CB, (T0364)E108.CB) [> 4.5677 = 7.6129 < 9.8967] w=0.4138 to align # Constraint # added constraint: constraint((T0364)H93.CB, (T0364)A105.CB) [> 4.6849 = 7.8082 < 10.1506] w=0.4051 to align # Constraint # added constraint: constraint((T0364)E74.CB, (T0364)G99.CA) [> 3.7852 = 6.3087 < 8.2013] w=0.3974 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)W76.CB) [> 4.5797 = 7.6328 < 9.9226] w=0.3910 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)S107.CB) [> 4.4191 = 7.3652 < 9.5748] w=0.3799 to align # Constraint # added constraint: constraint((T0364)H113.CB, (T0364)F124.CB) [> 3.0940 = 5.1567 < 6.7037] w=0.3777 to align # Constraint # added constraint: constraint((T0364)R86.CB, (T0364)F124.CB) [> 4.2952 = 7.1587 < 9.3063] w=0.3655 to align # Constraint # added constraint: constraint((T0364)L89.CB, (T0364)F124.CB) [> 3.9832 = 6.6387 < 8.6304] w=0.3655 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)A46.CB) [> 3.6699 = 6.1165 < 7.9515] w=0.3653 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)Y33.CB) [> 3.9207 = 6.5346 < 8.4950] w=0.3411 to align # Constraint # added constraint: constraint((T0364)N19.CB, (T0364)E68.CB) [> 4.5354 = 7.5590 < 9.8267] w=0.3152 to align # Constraint # added constraint: constraint((T0364)D24.CB, (T0364)A105.CB) [> 4.4553 = 7.4255 < 9.6532] w=0.2969 to align # Constraint # added constraint: constraint((T0364)D40.CB, (T0364)L56.CB) [> 3.4821 = 5.8035 < 7.5446] w=0.2956 to align # Constraint # added constraint: constraint((T0364)F84.CB, (T0364)F124.CB) [> 3.7365 = 6.2275 < 8.0957] w=0.2924 to align # Constraint # added constraint: constraint((T0364)F84.CB, (T0364)V129.CB) [> 4.0683 = 6.7805 < 8.8147] w=0.2924 to align # Constraint # added constraint: constraint((T0364)M39.CB, (T0364)I81.CB) [> 4.2878 = 7.1463 < 9.2902] w=0.2923 to align # Constraint # added constraint: constraint((T0364)K87.CB, (T0364)V114.CB) [> 4.6274 = 7.7123 < 10.0259] w=0.2910 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)Q109.CB) [> 4.6594 = 7.7657 < 10.0954] w=0.2887 to align # Constraint # added constraint: constraint((T0364)I42.CB, (T0364)I81.CB) [> 4.0700 = 6.7833 < 8.8183] w=0.2857 to align # Constraint # added constraint: constraint((T0364)I63.CB, (T0364)E108.CB) [> 4.7056 = 7.8427 < 10.1955] w=0.2835 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)F26.CB) [> 4.4351 = 7.3918 < 9.6094] w=0.2812 to align # Constraint # added constraint: constraint((T0364)N54.CB, (T0364)A122.CB) [> 3.9923 = 6.6539 < 8.6500] w=0.2801 to align # Constraint # added constraint: constraint((T0364)N54.CB, (T0364)D115.CB) [> 3.6662 = 6.1103 < 7.9434] w=0.2788 to align # Constraint # added constraint: constraint((T0364)Y92.CB, (T0364)Q109.CB) [> 4.6979 = 7.8298 < 10.1787] w=0.2788 to align # Constraint # added constraint: constraint((T0364)G53.CA, (T0364)D115.CB) [> 3.6176 = 6.0293 < 7.8381] w=0.2666 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)T35.CB) [> 4.5938 = 7.6564 < 9.9532] w=0.2654 to align # Constraint # added constraint: constraint((T0364)W76.CB, (T0364)A98.CB) [> 3.8281 = 6.3801 < 8.2942] w=0.2643 to align # Constraint # added constraint: constraint((T0364)I81.CB, (T0364)L132.CB) [> 3.6153 = 6.0256 < 7.8332] w=0.2559 to align # Constraint # added constraint: constraint((T0364)L22.CB, (T0364)L104.CB) [> 4.4441 = 7.4068 < 9.6289] w=0.2555 to align # Constraint # added constraint: constraint((T0364)G53.CA, (T0364)L116.CB) [> 3.4580 = 5.7634 < 7.4924] w=0.2468 to align # Constraint # added constraint: constraint((T0364)S55.CB, (T0364)L116.CB) [> 3.4759 = 5.7932 < 7.5312] w=0.2347 to align # Constraint # added constraint: constraint((T0364)A46.CB, (T0364)L56.CB) [> 3.5782 = 5.9637 < 7.7528] w=0.2313 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)L38.CB) [> 4.4590 = 7.4316 < 9.6611] w=0.2282 to align # Constraint # added constraint: constraint((T0364)L28.CB, (T0364)A105.CB) [> 4.5427 = 7.5711 < 9.8424] w=0.2240 to align # Constraint # added constraint: constraint((T0364)I42.CB, (T0364)L89.CB) [> 3.8375 = 6.3959 < 8.3147] w=0.2237 to align # Constraint # added constraint: constraint((T0364)W76.CB, (T0364)D101.CB) [> 4.6358 = 7.7263 < 10.0442] w=0.2228 to align # Constraint # added constraint: constraint((T0364)G53.CA, (T0364)A117.CB) [> 4.1095 = 6.8492 < 8.9039] w=0.2193 to align # Constraint # added constraint: constraint((T0364)L89.CB, (T0364)L132.CB) [> 4.3120 = 7.1867 < 9.3428] w=0.2193 to align # Constraint # added constraint: constraint((T0364)F84.CB, (T0364)L132.CB) [> 3.6871 = 6.1452 < 7.9888] w=0.2193 to align # Constraint # added constraint: constraint((T0364)L44.CB, (T0364)T128.CB) [> 3.8333 = 6.3888 < 8.3055] w=0.2193 to align # Constraint # added constraint: constraint((T0364)G43.CA, (T0364)R131.CB) [> 3.9549 = 6.5915 < 8.5689] w=0.2193 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)L56.CB) [> 4.4140 = 7.3567 < 9.5637] w=0.2094 to align # Constraint # added constraint: constraint((T0364)D85.CB, (T0364)H113.CB) [> 4.6069 = 7.6782 < 9.9816] w=0.2081 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)A61.CB) [> 4.4574 = 7.4290 < 9.6577] w=0.1993 to align # Constraint # added constraint: constraint((T0364)N54.CB, (T0364)L116.CB) [> 4.2967 = 7.1612 < 9.3095] w=0.1981 to align # Constraint # added constraint: constraint((T0364)A46.CB, (T0364)S55.CB) [> 3.8059 = 6.3432 < 8.2462] w=0.1981 to align # Constraint # added constraint: constraint((T0364)V16.CB, (T0364)F26.CB) [> 4.6339 = 7.7232 < 10.0402] w=0.1939 to align # Constraint # added constraint: constraint((T0364)L44.CB, (T0364)L56.CB) [> 4.1207 = 6.8679 < 8.9282] w=0.1849 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)H113.CB) [> 4.6215 = 7.7024 < 10.0132] w=0.1838 to align # Constraint # added constraint: constraint((T0364)T10.CB, (T0364)L71.CB) [> 4.4997 = 7.4994 < 9.7493] w=0.1825 to align # Constraint # added constraint: constraint((T0364)V11.CB, (T0364)H21.CB) [> 4.6801 = 7.8002 < 10.1403] w=0.1717 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)Q109.CB) [> 4.3066 = 7.1777 < 9.3311] w=0.1716 to align # Constraint # added constraint: constraint((T0364)S55.CB, (T0364)D115.CB) [> 4.3157 = 7.1929 < 9.3507] w=0.1705 to align # Constraint # added constraint: constraint((T0364)G53.CA, (T0364)H113.CB) [> 4.3272 = 7.2120 < 9.3756] w=0.1688 to align # Constraint # added constraint: constraint((T0364)Y7.CB, (T0364)Q78.CB) [> 4.6410 = 7.7349 < 10.0554] w=0.1605 to align # Constraint # added constraint: constraint((T0364)H113.CB, (T0364)T128.CB) [> 4.2896 = 7.1493 < 9.2941] w=0.1584 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)A46.CB) [> 4.3383 = 7.2304 < 9.3996] w=0.1583 to align # Constraint # added constraint: constraint((T0364)T79.CB, (T0364)Q109.CB) [> 4.4982 = 7.4970 < 9.7460] w=0.1494 to align # Constraint # added constraint: constraint((T0364)L44.CB, (T0364)S55.CB) [> 4.0806 = 6.8010 < 8.8412] w=0.1483 to align # Constraint # added constraint: constraint((T0364)L44.CB, (T0364)R131.CB) [> 3.7724 = 6.2872 < 8.1734] w=0.1462 to align # Constraint # added constraint: constraint((T0364)I63.CB, (T0364)H93.CB) [> 4.6239 = 7.7065 < 10.0185] w=0.1459 to align # Constraint # added constraint: constraint((T0364)I30.CB, (T0364)H93.CB) [> 4.5475 = 7.5792 < 9.8529] w=0.1451 to align # Constraint # added constraint: constraint((T0364)L22.CB, (T0364)G72.CA) [> 4.5806 = 7.6343 < 9.9245] w=0.1373 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)D47.CB) [> 3.9017 = 6.5029 < 8.4537] w=0.1338 to align # Constraint # added constraint: constraint((T0364)G20.CA, (T0364)E68.CB) [> 4.6405 = 7.7342 < 10.0544] w=0.1327 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)R49.CB) [> 3.7476 = 6.2460 < 8.1198] w=0.1215 to align # Constraint # added constraint: constraint((T0364)M39.CB, (T0364)S55.CB) [> 4.1634 = 6.9391 < 9.0208] w=0.1203 to align # Constraint # added constraint: constraint((T0364)L44.CB, (T0364)N54.CB) [> 2.7389 = 4.5648 < 5.9342] w=0.1104 to align # Constraint # added constraint: constraint((T0364)I81.CB, (T0364)L135.CB) [> 3.3890 = 5.6484 < 7.3429] w=0.1097 to align # Constraint # added constraint: constraint((T0364)W15.CB, (T0364)V69.CB) [> 4.6305 = 7.7175 < 10.0328] w=0.1097 to align # Constraint # added constraint: constraint((T0364)L4.CB, (T0364)R41.CB) [> 4.2259 = 7.0433 < 9.1562] w=0.1096 to align # Constraint # added constraint: constraint((T0364)S52.CB, (T0364)H113.CB) [> 3.2252 = 5.3753 < 6.9879] w=0.1095 to align # Constraint # added constraint: constraint((T0364)I42.CB, (T0364)L56.CB) [> 4.2441 = 7.0735 < 9.1956] w=0.1086 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)Y27.CB) [> 4.6961 = 7.8268 < 10.1749] w=0.0996 to align # Constraint # added constraint: constraint((T0364)L112.CB, (T0364)A122.CB) [> 4.4110 = 7.3516 < 9.5571] w=0.0975 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)Y92.CB) [> 4.6575 = 7.7626 < 10.0913] w=0.0907 to align # Constraint # added constraint: constraint((T0364)G43.CA, (T0364)H113.CB) [> 4.1610 = 6.9350 < 9.0155] w=0.0843 to align # Constraint # added constraint: constraint((T0364)I5.CB, (T0364)I42.CB) [> 4.2378 = 7.0629 < 9.1818] w=0.0820 to align # Constraint # added constraint: constraint((T0364)L28.CB, (T0364)Q109.CB) [> 4.7425 = 7.9042 < 10.2754] w=0.0768 to align # Constraint # added constraint: constraint((T0364)G50.CA, (T0364)L116.CB) [> 3.6637 = 6.1061 < 7.9380] w=0.0731 to align # Constraint # added constraint: constraint((T0364)I81.CB, (T0364)V136.CB) [> 3.1405 = 5.2342 < 6.8044] w=0.0731 to align # Constraint # added constraint: constraint((T0364)Q80.CB, (T0364)V136.CB) [> 4.1971 = 6.9952 < 9.0938] w=0.0731 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)S121.CB) [> 4.5703 = 7.6172 < 9.9024] w=0.0731 to align # Constraint # added constraint: constraint((T0364)F84.CB, (T0364)N133.CB) [> 3.9184 = 6.5306 < 8.4898] w=0.0731 to align # Constraint # added constraint: constraint((T0364)F84.CB, (T0364)L135.CB) [> 4.2387 = 7.0645 < 9.1839] w=0.0731 to align # Constraint # added constraint: constraint((T0364)G83.CA, (T0364)L135.CB) [> 3.7542 = 6.2571 < 8.1342] w=0.0731 to align # Constraint # added constraint: constraint((T0364)G83.CA, (T0364)L132.CB) [> 3.9125 = 6.5208 < 8.4771] w=0.0731 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)F57.CB) [> 4.2501 = 7.0836 < 9.2086] w=0.0730 to align # Constraint # added constraint: constraint((T0364)S52.CB, (T0364)I81.CB) [> 4.6351 = 7.7252 < 10.0427] w=0.0726 to align # Constraint # added constraint: constraint((T0364)T9.CB, (T0364)L29.CB) [> 4.6739 = 7.7899 < 10.1268] w=0.0721 to align # Constraint # added constraint: constraint((T0364)Q78.CB, (T0364)Y92.CB) [> 4.4894 = 7.4824 < 9.7271] w=0.0716 to align # Constraint # added constraint: constraint((T0364)V77.CB, (T0364)A105.CB) [> 4.7744 = 7.9573 < 10.3445] w=0.0631 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)S55.CB) [> 3.6547 = 6.0911 < 7.9184] w=0.0609 to align # Constraint # added constraint: constraint((T0364)A46.CB, (T0364)L111.CB) [> 3.3854 = 5.6423 < 7.3350] w=0.0608 to align # Constraint # added constraint: constraint((T0364)D115.CB, (T0364)G125.CA) [> 3.3966 = 5.6610 < 7.3593] w=0.0608 to align # Constraint # added constraint: constraint((T0364)D14.CB, (T0364)F26.CB) [> 4.7660 = 7.9434 < 10.3264] w=0.0599 to align # Constraint # added constraint: constraint((T0364)F26.CB, (T0364)V75.CB) [> 4.4216 = 7.3693 < 9.5801] w=0.0594 to align # Constraint # added constraint: constraint((T0364)R86.CB, (T0364)V114.CB) [> 2.8159 = 4.6931 < 6.1010] w=0.0580 to align # Constraint # added constraint: constraint((T0364)S52.CB, (T0364)A122.CB) [> 4.3455 = 7.2425 < 9.4153] w=0.0487 to align # Constraint # added constraint: constraint((T0364)S55.CB, (T0364)L111.CB) [> 4.3997 = 7.3328 < 9.5327] w=0.0487 to align # Constraint # added constraint: constraint((T0364)E74.CB, (T0364)F100.CB) [> 4.2445 = 7.0741 < 9.1963] w=0.0487 to align # Constraint # added constraint: constraint((T0364)D24.CB, (T0364)V69.CB) [> 4.5225 = 7.5375 < 9.7988] w=0.0487 to align # Constraint # added constraint: constraint((T0364)P2.CB, (T0364)Q80.CB) [> 3.7992 = 6.3320 < 8.2316] w=0.0485 to align # Constraint # added constraint: constraint((T0364)D17.CB, (T0364)F26.CB) [> 4.6418 = 7.7363 < 10.0572] w=0.0390 to align # Constraint # added constraint: constraint((T0364)Y65.CB, (T0364)L95.CB) [> 4.1662 = 6.9436 < 9.0267] w=0.0366 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)D45.CB) [> 4.0701 = 6.7835 < 8.8185] w=0.0366 to align # Constraint # added constraint: constraint((T0364)Q78.CB, (T0364)V103.CB) [> 4.4428 = 7.4046 < 9.6260] w=0.0366 to align # Constraint # added constraint: constraint((T0364)L44.CB, (T0364)L132.CB) [> 4.4024 = 7.3373 < 9.5385] w=0.0366 to align # Constraint # added constraint: constraint((T0364)A3.CB, (T0364)Q78.CB) [> 3.9589 = 6.5981 < 8.5775] w=0.0366 to align # Constraint # added constraint: constraint((T0364)W15.CB, (T0364)L29.CB) [> 4.0379 = 6.7298 < 8.7488] w=0.0366 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)L116.CB) [> 4.7258 = 7.8764 < 10.2393] w=0.0366 to align # Constraint # added constraint: constraint((T0364)L82.CB, (T0364)M110.CB) [> 4.5184 = 7.5307 < 9.7900] w=0.0366 to align # Constraint # added constraint: constraint((T0364)V16.CB, (T0364)V69.CB) [> 4.7678 = 7.9464 < 10.3303] w=0.0366 to align # Constraint # added constraint: constraint((T0364)L82.CB, (T0364)L132.CB) [> 3.7045 = 6.1742 < 8.0265] w=0.0366 to align # Constraint # added constraint: constraint((T0364)G83.CA, (T0364)R131.CB) [> 4.5642 = 7.6071 < 9.8892] w=0.0366 to align # Constraint # added constraint: constraint((T0364)H90.CB, (T0364)L135.CB) [> 3.1557 = 5.2595 < 6.8373] w=0.0366 to align # Constraint # added constraint: constraint((T0364)S55.CB, (T0364)L112.CB) [> 3.9997 = 6.6661 < 8.6659] w=0.0366 to align # Constraint # added constraint: constraint((T0364)T58.CB, (T0364)V91.CB) [> 4.6929 = 7.8215 < 10.1679] w=0.0365 to align # Constraint # added constraint: constraint((T0364)H62.CB, (T0364)A106.CB) [> 4.7968 = 7.9947 < 10.3931] w=0.0365 to align # Constraint # added constraint: constraint((T0364)L44.CB, (T0364)F57.CB) [> 4.6490 = 7.7483 < 10.0728] w=0.0365 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)T128.CB) [> 3.6304 = 6.0507 < 7.8660] w=0.0365 to align # Constraint # added constraint: constraint((T0364)V114.CB, (T0364)G125.CA) [> 3.7318 = 6.2197 < 8.0857] w=0.0365 to align # Constraint # added constraint: constraint((T0364)V114.CB, (T0364)T128.CB) [> 3.2825 = 5.4708 < 7.1120] w=0.0365 to align # Constraint # added constraint: constraint((T0364)D115.CB, (T0364)T127.CB) [> 2.6867 = 4.4778 < 5.8212] w=0.0365 to align # Constraint # added constraint: constraint((T0364)D115.CB, (T0364)T128.CB) [> 4.4777 = 7.4628 < 9.7016] w=0.0365 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)Q120.CB) [> 4.6904 = 7.8173 < 10.1625] w=0.0364 to align # Constraint # added constraint: constraint((T0364)E60.CB, (T0364)H90.CB) [> 4.7850 = 7.9751 < 10.3676] w=0.0364 to align # Constraint # added constraint: constraint((T0364)T73.CB, (T0364)H96.CB) [> 3.5639 = 5.9398 < 7.7217] w=0.0350 to align # Constraint # added constraint: constraint((T0364)W76.CB, (T0364)H93.CB) [> 4.3732 = 7.2887 < 9.4753] w=0.0350 to align # Constraint # added constraint: constraint((T0364)I42.CB, (T0364)V129.CB) [> 4.5015 = 7.5025 < 9.7533] w=0.0244 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)S121.CB) [> 4.6628 = 7.7714 < 10.1028] w=0.0244 to align # Constraint # added constraint: constraint((T0364)L112.CB, (T0364)F124.CB) [> 4.7090 = 7.8484 < 10.2029] w=0.0244 to align # Constraint # added constraint: constraint((T0364)N54.CB, (T0364)L112.CB) [> 4.0423 = 6.7371 < 8.7582] w=0.0244 to align # Constraint # added constraint: constraint((T0364)G53.CA, (T0364)V114.CB) [> 3.3302 = 5.5504 < 7.2155] w=0.0244 to align # Constraint # added constraint: constraint((T0364)Q12.CB, (T0364)T35.CB) [> 4.5679 = 7.6131 < 9.8970] w=0.0242 to align # Constraint # added constraint: constraint((T0364)E13.CB, (T0364)T35.CB) [> 3.5838 = 5.9731 < 7.7650] w=0.0242 to align # Constraint # added constraint: constraint((T0364)E13.CB, (T0364)D36.CB) [> 3.7485 = 6.2474 < 8.1216] w=0.0242 to align # Constraint # added constraint: constraint((T0364)R49.CB, (T0364)T58.CB) [> 4.0314 = 6.7189 < 8.7346] w=0.0242 to align # Constraint # added constraint: constraint((T0364)W15.CB, (T0364)I30.CB) [> 4.7258 = 7.8764 < 10.2393] w=0.0233 to align # Constraint # added constraint: constraint((T0364)T6.CB, (T0364)T35.CB) [> 4.0970 = 6.8282 < 8.8767] w=0.0211 to align # Constraint # added constraint: constraint((T0364)L56.CB, (T0364)Q109.CB) [> 3.5735 = 5.9559 < 7.7426] w=0.0122 to align # Constraint # added constraint: constraint((T0364)F57.CB, (T0364)M110.CB) [> 3.1942 = 5.3237 < 6.9208] w=0.0122 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)S107.CB) [> 3.4773 = 5.7955 < 7.5342] w=0.0122 to align # Constraint # added constraint: constraint((T0364)L59.CB, (T0364)E108.CB) [> 4.3821 = 7.3035 < 9.4945] w=0.0122 to align # Constraint # added constraint: constraint((T0364)E60.CB, (T0364)S107.CB) [> 2.8723 = 4.7871 < 6.2233] w=0.0122 to align # Constraint # added constraint: constraint((T0364)A3.CB, (T0364)M148.CB) [> 4.4620 = 7.4368 < 9.6678] w=0.0122 to align # Constraint # added constraint: constraint((T0364)T6.CB, (T0364)H93.CB) [> 4.5690 = 7.6150 < 9.8995] w=0.0122 to align # Constraint # added constraint: constraint((T0364)L28.CB, (T0364)L59.CB) [> 4.5727 = 7.6211 < 9.9075] w=0.0122 to align # Constraint # added constraint: constraint((T0364)Y92.CB, (T0364)I152.CB) [> 2.4937 = 4.1562 < 5.4031] w=0.0122 to align # Constraint # added constraint: constraint((T0364)H93.CB, (T0364)I152.CB) [> 4.2172 = 7.0286 < 9.1372] w=0.0122 to align # Constraint # added constraint: constraint((T0364)S94.CB, (T0364)I152.CB) [> 4.0403 = 6.7339 < 8.7540] w=0.0122 to align # Constraint # added constraint: constraint((T0364)A106.CB, (T0364)I152.CB) [> 2.8843 = 4.8072 < 6.2494] w=0.0122 to align # Constraint # added constraint: constraint((T0364)A106.CB, (T0364)L154.CB) [> 2.8001 = 4.6668 < 6.0668] w=0.0122 to align # Constraint # added constraint: constraint((T0364)E108.CB, (T0364)I152.CB) [> 3.7940 = 6.3233 < 8.2203] w=0.0122 to align # Constraint # added constraint: constraint((T0364)E108.CB, (T0364)L154.CB) [> 3.8051 = 6.3418 < 8.2443] w=0.0122 to align # Constraint # added constraint: constraint((T0364)E108.CB, (T0364)A156.CB) [> 3.6056 = 6.0093 < 7.8121] w=0.0122 to align # Constraint # added constraint: constraint((T0364)H62.CB, (T0364)L154.CB) [> 3.9103 = 6.5171 < 8.4723] w=0.0122 to align # Constraint # added constraint: constraint((T0364)L82.CB, (T0364)M148.CB) [> 4.2653 = 7.1088 < 9.2415] w=0.0122 to align # Constraint # added constraint: constraint((T0364)G83.CA, (T0364)M148.CB) [> 3.2041 = 5.3401 < 6.9421] w=0.0122 to align # Constraint # added constraint: constraint((T0364)L28.CB, (T0364)Y65.CB) [> 4.7950 = 7.9916 < 10.3891] w=0.0121 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)H93.CB) [> 2.8623 = 4.7705 < 6.2016] w=0.0089 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)Y92.CB) [> 4.7751 = 7.9584 < 10.3460] w=0.0089 to align # Constraint # added constraint: constraint((T0364)D36.CB, (T0364)A61.CB) [> 4.5854 = 7.6424 < 9.9351] w=0.0089 to align # Constraint # added constraint: constraint((T0364)T35.CB, (T0364)Q78.CB) [> 4.5168 = 7.5280 < 9.7864] w=0.0089 to align # Constraint # added constraint: constraint((T0364)F31.CB, (T0364)Q78.CB) [> 4.7909 = 7.9847 < 10.3802] w=0.0037 to align # Constraint # added constraint: constraint((T0364)L29.CB, (T0364)T58.CB) [> 4.6968 = 7.8280 < 10.1764] w=0.0037 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0364/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0364/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 91 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 2 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0364)H134.C and (T0364)L135.N only 0 apart, marking (T0364)L135.N as missing WARNING: atoms too close: (T0364)L135.N and (T0364)L135.CA only 0 apart, marking (T0364)L135.CA as missing WARNING: atoms too close: (T0364)H134.C and (T0364)L135.CA only 0 apart, marking (T0364)L135.CA as missing WARNING: atoms too close: (T0364)L135.CA and (T0364)L135.CB only 0 apart, marking (T0364)L135.CB as missing WARNING: atoms too close: (T0364)L135.N and (T0364)L135.CB only 0 apart, marking (T0364)L135.CB as missing WARNING: atoms too close: (T0364)H134.C and (T0364)L135.CB only 0 apart, marking (T0364)L135.CB as missing WARNING: atoms too close: (T0364)L135.CB and (T0364)L135.CG only 0 apart, marking (T0364)L135.CG as missing WARNING: atoms too close: (T0364)L135.CA and (T0364)L135.CG only 0 apart, marking (T0364)L135.CG as missing WARNING: atoms too close: (T0364)L135.N and (T0364)L135.CG only 0 apart, marking (T0364)L135.CG as missing WARNING: atoms too close: (T0364)H134.C and (T0364)L135.CG only 0 apart, marking (T0364)L135.CG as missing WARNING: atoms too close: (T0364)L135.CG and (T0364)L135.CD1 only 0 apart, marking (T0364)L135.CD1 as missing WARNING: atoms too close: (T0364)L135.CB and (T0364)L135.CD1 only 0 apart, marking (T0364)L135.CD1 as missing WARNING: atoms too close: (T0364)L135.CA and (T0364)L135.CD1 only 0 apart, marking (T0364)L135.CD1 as missing WARNING: atoms too close: (T0364)L135.N and (T0364)L135.CD1 only 0 apart, marking (T0364)L135.CD1 as missing WARNING: atoms too close: (T0364)H134.C and (T0364)L135.CD1 only 0 apart, marking (T0364)L135.CD1 as missing WARNING: atoms too close: (T0364)L135.CD1 and (T0364)L135.CD2 only 0 apart, marking (T0364)L135.CD2 as missing WARNING: atoms too close: (T0364)L135.CG and (T0364)L135.CD2 only 0 apart, marking (T0364)L135.CD2 as missing WARNING: atoms too close: (T0364)L135.CB and (T0364)L135.CD2 only 0 apart, marking (T0364)L135.CD2 as missing WARNING: atoms too close: (T0364)L135.CA and (T0364)L135.CD2 only 0 apart, marking (T0364)L135.CD2 as missing WARNING: atoms too close: (T0364)L135.N and (T0364)L135.CD2 only 0 apart, marking (T0364)L135.CD2 as missing WARNING: atoms too close: (T0364)H134.C and (T0364)L135.CD2 only 0 apart, marking (T0364)L135.CD2 as missing WARNING: atoms too close: (T0364)L135.CD2 and (T0364)L135.O only 0 apart, marking (T0364)L135.O as missing WARNING: atoms too close: (T0364)L135.CD1 and (T0364)L135.O only 0 apart, marking (T0364)L135.O as missing WARNING: atoms too close: (T0364)L135.CG and (T0364)L135.O only 0 apart, marking (T0364)L135.O as missing WARNING: atoms too close: (T0364)L135.CB and (T0364)L135.O only 0 apart, marking (T0364)L135.O as missing WARNING: atoms too close: (T0364)L135.CA and (T0364)L135.O only 0 apart, marking (T0364)L135.O as missing WARNING: atoms too close: (T0364)L135.N and (T0364)L135.O only 0 apart, marking (T0364)L135.O as missing WARNING: atoms too close: (T0364)H134.C and (T0364)L135.O only 0 apart, marking (T0364)L135.O as missing WARNING: atoms too close: (T0364)L135.O and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing WARNING: atoms too close: (T0364)L135.CD2 and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing WARNING: atoms too close: (T0364)L135.CD1 and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing WARNING: atoms too close: (T0364)L135.CG and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing WARNING: atoms too close: (T0364)L135.CB and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing WARNING: atoms too close: (T0364)L135.CA and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing WARNING: atoms too close: (T0364)L135.N and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing WARNING: atoms too close: (T0364)H134.C and (T0364)L135.C only 0 apart, marking (T0364)L135.C as missing # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 83, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 83, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 Skipped atom 155, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 561, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 586, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 607, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 71, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 353, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 415, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 Skipped atom 79, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 71, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 353, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 415, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 428, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0364)I81.O and (T0364)L82.N only 0.000 apart, marking (T0364)L82.N as missing # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0364)T58.N and (T0364)R88.N only 0.000 apart, marking (T0364)R88.N as missing WARNING: atoms too close: (T0364)T58.CA and (T0364)R88.CA only 0.000 apart, marking (T0364)R88.CA as missing WARNING: atoms too close: (T0364)T58.CB and (T0364)R88.CB only 0.000 apart, marking (T0364)R88.CB as missing WARNING: atoms too close: (T0364)T58.CG2 and (T0364)R88.CG only 0.000 apart, marking (T0364)R88.CG as missing WARNING: atoms too close: (T0364)T58.O and (T0364)R88.O only 0.000 apart, marking (T0364)R88.O as missing WARNING: atoms too close: (T0364)T58.C and (T0364)R88.C only 0.000 apart, marking (T0364)R88.C as missing WARNING: atoms too close: (T0364)R88.N and (T0364)L89.N only 0.000 apart, marking (T0364)R88.N as missing WARNING: atoms too close: (T0364)T58.N and (T0364)L89.N only 0.000 apart, marking (T0364)L89.N as missing WARNING: atoms too close: (T0364)R88.CA and (T0364)L89.CA only 0.000 apart, marking (T0364)L89.CA as missing WARNING: atoms too close: (T0364)T58.CA and (T0364)L89.CA only 0.000 apart, marking (T0364)L89.CA as missing WARNING: atoms too close: (T0364)R88.CB and (T0364)L89.CB only 0.000 apart, marking (T0364)L89.CB as missing WARNING: atoms too close: (T0364)T58.CB and (T0364)L89.CB only 0.000 apart, marking (T0364)L89.CB as missing WARNING: atoms too close: (T0364)R88.CG and (T0364)L89.CG only 0.000 apart, marking (T0364)L89.CG as missing WARNING: atoms too close: (T0364)T58.CG2 and (T0364)L89.CG only 0.000 apart, marking (T0364)L89.CG as missing WARNING: atoms too close: (T0364)R88.O and (T0364)L89.O only 0.000 apart, marking (T0364)L89.O as missing WARNING: atoms too close: (T0364)T58.O and (T0364)L89.O only 0.000 apart, marking (T0364)L89.O as missing WARNING: atoms too close: (T0364)R88.C and (T0364)L89.C only 0.000 apart, marking (T0364)L89.C as missing WARNING: atoms too close: (T0364)T58.C and (T0364)L89.C only 0.000 apart, marking (T0364)L89.C as missing WARNING: atoms too close: (T0364)L89.N and (T0364)H90.N only 0.000 apart, marking (T0364)L89.N as missing WARNING: atoms too close: (T0364)R88.N and (T0364)H90.N only 0.000 apart, marking (T0364)R88.N as missing WARNING: atoms too close: (T0364)T58.N and (T0364)H90.N only 0.000 apart, marking (T0364)H90.N as missing WARNING: atoms too close: (T0364)L89.CA and (T0364)H90.CA only 0.000 apart, marking (T0364)H90.CA as missing WARNING: atoms too close: (T0364)R88.CA and (T0364)H90.CA only 0.000 apart, marking (T0364)H90.CA as missing WARNING: atoms too close: (T0364)T58.CA and (T0364)H90.CA only 0.000 apart, marking (T0364)H90.CA as missing WARNING: atoms too close: (T0364)L89.CB and (T0364)H90.CB only 0.000 apart, marking (T0364)H90.CB as missing WARNING: atoms too close: (T0364)R88.CB and (T0364)H90.CB only 0.000 apart, marking (T0364)H90.CB as missing WARNING: atoms too close: (T0364)T58.CB and (T0364)H90.CB only 0.000 apart, marking (T0364)H90.CB as missing WARNING: atoms too close: (T0364)L89.CG and (T0364)H90.CG only 0.000 apart, marking (T0364)H90.CG as missing WARNING: atoms too close: (T0364)R88.CG and (T0364)H90.CG only 0.000 apart, marking (T0364)H90.CG as missing WARNING: atoms too close: (T0364)T58.CG2 and (T0364)H90.CG only 0.000 apart, marking (T0364)H90.CG as missing WARNING: atoms too close: (T0364)L89.O and (T0364)H90.O only 0.000 apart, marking (T0364)H90.O as missing WARNING: atoms too close: (T0364)R88.O and (T0364)H90.O only 0.000 apart, marking (T0364)H90.O as missing WARNING: atoms too close: (T0364)T58.O and (T0364)H90.O only 0.000 apart, marking (T0364)H90.O as missing WARNING: atoms too close: (T0364)L89.C and (T0364)H90.C only 0.000 apart, marking (T0364)H90.C as missing WARNING: atoms too close: (T0364)R88.C and (T0364)H90.C only 0.000 apart, marking (T0364)H90.C as missing WARNING: atoms too close: (T0364)T58.C and (T0364)H90.C only 0.000 apart, marking (T0364)H90.C as missing WARNING: atoms too close: (T0364)H90.N and (T0364)V91.N only 0.000 apart, marking (T0364)H90.N as missing WARNING: atoms too close: (T0364)L89.N and (T0364)V91.N only 0.000 apart, marking (T0364)L89.N as missing WARNING: atoms too close: (T0364)R88.N and (T0364)V91.N only 0.000 apart, marking (T0364)R88.N as missing WARNING: atoms too close: (T0364)T58.N and (T0364)V91.N only 0.000 apart, marking (T0364)V91.N as missing WARNING: atoms too close: (T0364)H90.CA and (T0364)V91.CA only 0.000 apart, marking (T0364)V91.CA as missing WARNING: atoms too close: (T0364)L89.CA and (T0364)V91.CA only 0.000 apart, marking (T0364)V91.CA as missing WARNING: atoms too close: (T0364)R88.CA and (T0364)V91.CA only 0.000 apart, marking (T0364)V91.CA as missing WARNING: atoms too close: (T0364)T58.CA and (T0364)V91.CA only 0.000 apart, marking (T0364)V91.CA as missing WARNING: atoms too close: (T0364)H90.CB and (T0364)V91.CB only 0.000 apart, marking (T0364)V91.CB as missing WARNING: atoms too close: (T0364)L89.CB and (T0364)V91.CB only 0.000 apart, marking (T0364)V91.CB as missing WARNING: atoms too close: (T0364)R88.CB and (T0364)V91.CB only 0.000 apart, marking (T0364)V91.CB as missing WARNING: atoms too close: (T0364)T58.CB and (T0364)V91.CB only 0.000 apart, marking (T0364)V91.CB as missing WARNING: atoms too close: (T0364)H90.CG and (T0364)V91.CG1 only 0.000 apart, marking (T0364)V91.CG1 as missing WARNING: atoms too close: (T0364)L89.CG and (T0364)V91.CG1 only 0.000 apart, marking (T0364)V91.CG1 as missing WARNING: atoms too close: (T0364)R88.CG and (T0364)V91.CG1 only 0.000 apart, marking (T0364)V91.CG1 as missing WARNING: atoms too close: (T0364)T58.CG2 and (T0364)V91.CG1 only 0.000 apart, marking (T0364)V91.CG1 as missing WARNING: atoms too close: (T0364)H90.O and (T0364)V91.O only 0.000 apart, marking (T0364)V91.O as missing WARNING: atoms too close: (T0364)L89.O and (T0364)V91.O only 0.000 apart, marking (T0364)V91.O as missing WARNING: atoms too close: (T0364)R88.O and (T0364)V91.O only 0.000 apart, marking (T0364)V91.O as missing WARNING: atoms too close: (T0364)T58.O and (T0364)V91.O only 0.000 apart, marking (T0364)V91.O as missing WARNING: atoms too close: (T0364)H90.C and (T0364)V91.C only 0.000 apart, marking (T0364)V91.C as missing WARNING: atoms too close: (T0364)L89.C and (T0364)V91.C only 0.000 apart, marking (T0364)V91.C as missing WARNING: atoms too close: (T0364)R88.C and (T0364)V91.C only 0.000 apart, marking (T0364)V91.C as missing WARNING: atoms too close: (T0364)T58.C and (T0364)V91.C only 0.000 apart, marking (T0364)V91.C as missing WARNING: atoms too close: (T0364)V91.N and (T0364)Y92.N only 0.000 apart, marking (T0364)V91.N as missing WARNING: atoms too close: (T0364)H90.N and (T0364)Y92.N only 0.000 apart, marking (T0364)H90.N as missing WARNING: atoms too close: (T0364)L89.N and (T0364)Y92.N only 0.000 apart, marking (T0364)L89.N as missing WARNING: atoms too close: (T0364)R88.N and (T0364)Y92.N only 0.000 apart, marking (T0364)R88.N as missing WARNING: atoms too close: (T0364)T58.N and (T0364)Y92.N only 0.000 apart, marking (T0364)Y92.N as missing WARNING: atoms too close: (T0364)V91.CA and (T0364)Y92.CA only 0.000 apart, marking (T0364)Y92.CA as missing WARNING: atoms too close: (T0364)H90.CA and (T0364)Y92.CA only 0.000 apart, marking (T0364)Y92.CA as missing WARNING: atoms too close: (T0364)L89.CA and (T0364)Y92.CA only 0.000 apart, marking (T0364)Y92.CA as missing WARNING: atoms too close: (T0364)R88.CA and (T0364)Y92.CA only 0.000 apart, marking (T0364)Y92.CA as missing WARNING: atoms too close: (T0364)T58.CA and (T0364)Y92.CA only 0.000 apart, marking (T0364)Y92.CA as missing WARNING: atoms too close: (T0364)V91.CB and (T0364)Y92.CB only 0.000 apart, marking (T0364)Y92.CB as missing WARNING: atoms too close: (T0364)H90.CB and (T0364)Y92.CB only 0.000 apart, marking (T0364)Y92.CB as missing WARNING: atoms too close: (T0364)L89.CB and (T0364)Y92.CB only 0.000 apart, marking (T0364)Y92.CB as missing WARNING: atoms too close: (T0364)R88.CB and (T0364)Y92.CB only 0.000 apart, marking (T0364)Y92.CB as missing WARNING: atoms too close: (T0364)T58.CB and (T0364)Y92.CB only 0.000 apart, marking (T0364)Y92.CB as missing WARNING: atoms too close: (T0364)V91.CG1 and (T0364)Y92.CG only 0.000 apart, marking (T0364)Y92.CG as missing WARNING: atoms too close: (T0364)H90.CG and (T0364)Y92.CG only 0.000 apart, marking (T0364)Y92.CG as missing WARNING: atoms too close: (T0364)L89.CG and (T0364)Y92.CG only 0.000 apart, marking (T0364)Y92.CG as missing WARNING: atoms too close: (T0364)R88.CG and (T0364)Y92.CG only 0.000 apart, marking (T0364)Y92.CG as missing WARNING: atoms too close: (T0364)T58.CG2 and (T0364)Y92.CG only 0.000 apart, marking (T0364)Y92.CG as missing WARNING: atoms too close: (T0364)V91.O and (T0364)Y92.O only 0.000 apart, marking (T0364)Y92.O as missing WARNING: atoms too close: (T0364)H90.O and (T0364)Y92.O only 0.000 apart, marking (T0364)Y92.O as missing WARNING: atoms too close: (T0364)L89.O and (T0364)Y92.O only 0.000 apart, marking (T0364)Y92.O as missing WARNING: atoms too close: (T0364)R88.O and (T0364)Y92.O only 0.000 apart, marking (T0364)Y92.O as missing WARNING: atoms too close: (T0364)T58.O and (T0364)Y92.O only 0.000 apart, marking (T0364)Y92.O as missing WARNING: atoms too close: (T0364)V91.C and (T0364)Y92.C only 0.000 apart, marking (T0364)Y92.C as missing WARNING: atoms too close: (T0364)H90.C and (T0364)Y92.C only 0.000 apart, marking (T0364)Y92.C as missing WARNING: atoms too close: (T0364)L89.C and (T0364)Y92.C only 0.000 apart, marking (T0364)Y92.C as missing WARNING: atoms too close: (T0364)R88.C and (T0364)Y92.C only 0.000 apart, marking (T0364)Y92.C as missing WARNING: atoms too close: (T0364)T58.C and (T0364)Y92.C only 0.000 apart, marking (T0364)Y92.C as missing WARNING: atoms too close: (T0364)Y92.N and (T0364)Q109.N only 0.000 apart, marking (T0364)Y92.N as missing WARNING: atoms too close: (T0364)V91.N and (T0364)Q109.N only 0.000 apart, marking (T0364)V91.N as missing WARNING: atoms too close: (T0364)H90.N and (T0364)Q109.N only 0.000 apart, marking (T0364)H90.N as missing WARNING: atoms too close: (T0364)L89.N and (T0364)Q109.N only 0.000 apart, marking (T0364)L89.N as missing WARNING: atoms too close: (T0364)R88.N and (T0364)Q109.N only 0.000 apart, marking (T0364)R88.N as missing WARNING: atoms too close: (T0364)T58.N and (T0364)Q109.N only 0.000 apart, marking (T0364)Q109.N as missing WARNING: atoms too close: (T0364)Y92.CA and (T0364)Q109.CA only 0.000 apart, marking (T0364)Q109.CA as missing WARNING: atoms too close: (T0364)V91.CA and (T0364)Q109.CA only 0.000 apart, marking (T0364)Q109.CA as missing WARNING: atoms too close: (T0364)H90.CA and (T0364)Q109.CA only 0.000 apart, marking (T0364)Q109.CA as missing WARNING: atoms too close: (T0364)L89.CA and (T0364)Q109.CA only 0.000 apart, marking (T0364)Q109.CA as missing WARNING: atoms too close: (T0364)R88.CA and (T0364)Q109.CA only 0.000 apart, marking (T0364)Q109.CA as missing WARNING: atoms too close: (T0364)T58.CA and (T0364)Q109.CA only 0.000 apart, marking (T0364)Q109.CA as missing WARNING: atoms too close: (T0364)Y92.CB and (T0364)Q109.CB only 0.000 apart, marking (T0364)Q109.CB as missing WARNING: atoms too close: (T0364)V91.CB and (T0364)Q109.CB only 0.000 apart, marking (T0364)Q109.CB as missing WARNING: atoms too close: (T0364)H90.CB and (T0364)Q109.CB only 0.000 apart, marking (T0364)Q109.CB as missing WARNING: atoms too close: (T0364)L89.CB and (T0364)Q109.CB only 0.000 apart, marking (T0364)Q109.CB as missing WARNING: atoms too close: (T0364)R88.CB and (T0364)Q109.CB only 0.000 apart, marking (T0364)Q109.CB as missing WARNING: atoms too close: (T0364)T58.CB and (T0364)Q109.CB only 0.000 apart, marking (T0364)Q109.CB as missing WARNING: atoms too close: (T0364)Y92.CG and (T0364)Q109.CG only 0.000 apart, marking (T0364)Q109.CG as missing WARNING: atoms too close: (T0364)V91.CG1 and (T0364)Q109.CG only 0.000 apart, marking (T0364)Q109.CG as missing WARNING: atoms too close: (T0364)H90.CG and (T0364)Q109.CG only 0.000 apart, marking (T0364)Q109.CG as missing WARNING: atoms too close: (T0364)L89.CG and (T0364)Q109.CG only 0.000 apart, marking (T0364)Q109.CG as missing WARNING: atoms too close: (T0364)R88.CG and (T0364)Q109.CG only 0.000 apart, marking (T0364)Q109.CG as missing WARNING: atoms too close: (T0364)T58.CG2 and (T0364)Q109.CG only 0.000 apart, marking (T0364)Q109.CG as missing WARNING: atoms too close: (T0364)Y92.O and (T0364)Q109.O only 0.000 apart, marking (T0364)Q109.O as missing WARNING: atoms too close: (T0364)V91.O and (T0364)Q109.O only 0.000 apart, marking (T0364)Q109.O as missing WARNING: atoms too close: (T0364)H90.O and (T0364)Q109.O only 0.000 apart, marking (T0364)Q109.O as missing WARNING: atoms too close: (T0364)L89.O and (T0364)Q109.O only 0.000 apart, marking (T0364)Q109.O as missing WARNING: atoms too close: (T0364)R88.O and (T0364)Q109.O only 0.000 apart, marking (T0364)Q109.O as missing WARNING: atoms too close: (T0364)T58.O and (T0364)Q109.O only 0.000 apart, marking (T0364)Q109.O as missing WARNING: atoms too close: (T0364)Y92.C and (T0364)Q109.C only 0.000 apart, marking (T0364)Q109.C as missing WARNING: atoms too close: (T0364)V91.C and (T0364)Q109.C only 0.000 apart, marking (T0364)Q109.C as missing WARNING: atoms too close: (T0364)H90.C and (T0364)Q109.C only 0.000 apart, marking (T0364)Q109.C as missing WARNING: atoms too close: (T0364)L89.C and (T0364)Q109.C only 0.000 apart, marking (T0364)Q109.C as missing WARNING: atoms too close: (T0364)R88.C and (T0364)Q109.C only 0.000 apart, marking (T0364)Q109.C as missing WARNING: atoms too close: (T0364)T58.C and (T0364)Q109.C only 0.000 apart, marking (T0364)Q109.C as missing WARNING: atoms too close: (T0364)Q109.N and (T0364)L132.N only 0.000 apart, marking (T0364)Q109.N as missing WARNING: atoms too close: (T0364)Y92.N and (T0364)L132.N only 0.000 apart, marking (T0364)Y92.N as missing WARNING: atoms too close: (T0364)V91.N and (T0364)L132.N only 0.000 apart, marking (T0364)V91.N as missing WARNING: atoms too close: (T0364)H90.N and (T0364)L132.N only 0.000 apart, marking (T0364)H90.N as missing WARNING: atoms too close: (T0364)L89.N and (T0364)L132.N only 0.000 apart, marking (T0364)L89.N as missing WARNING: atoms too close: (T0364)R88.N and (T0364)L132.N only 0.000 apart, marking (T0364)R88.N as missing WARNING: atoms too close: (T0364)T58.N and (T0364)L132.N only 0.000 apart, marking (T0364)L132.N as missing WARNING: atoms too close: (T0364)Q109.CA and (T0364)L132.CA only 0.000 apart, marking (T0364)L132.CA as missing WARNING: atoms too close: (T0364)Y92.CA and (T0364)L132.CA only 0.000 apart, marking (T0364)L132.CA as missing WARNING: atoms too close: (T0364)V91.CA and (T0364)L132.CA only 0.000 apart, marking (T0364)L132.CA as missing WARNING: atoms too close: (T0364)H90.CA and (T0364)L132.CA only 0.000 apart, marking (T0364)L132.CA as missing WARNING: atoms too close: (T0364)L89.CA and (T0364)L132.CA only 0.000 apart, marking (T0364)L132.CA as missing WARNING: atoms too close: (T0364)R88.CA and (T0364)L132.CA only 0.000 apart, marking (T0364)L132.CA as missing WARNING: atoms too close: (T0364)T58.CA and (T0364)L132.CA only 0.000 apart, marking (T0364)L132.CA as missing WARNING: atoms too close: (T0364)Q109.CB and (T0364)L132.CB only 0.000 apart, marking (T0364)L132.CB as missing WARNING: atoms too close: (T0364)Y92.CB and (T0364)L132.CB only 0.000 apart, marking (T0364)L132.CB as missing WARNING: atoms too close: (T0364)V91.CB and (T0364)L132.CB only 0.000 apart, marking (T0364)L132.CB as missing WARNING: atoms too close: (T0364)H90.CB and (T0364)L132.CB only 0.000 apart, marking (T0364)L132.CB as missing WARNING: atoms too close: (T0364)L89.CB and (T0364)L132.CB only 0.000 apart, marking (T0364)L132.CB as missing WARNING: atoms too close: (T0364)R88.CB and (T0364)L132.CB only 0.000 apart, marking (T0364)L132.CB as missing WARNING: atoms too close: (T0364)T58.CB and (T0364)L132.CB only 0.000 apart, marking (T0364)L132.CB as missing WARNING: atoms too close: (T0364)Q109.CG and (T0364)L132.CG only 0.000 apart, marking (T0364)L132.CG as missing WARNING: atoms too close: (T0364)Y92.CG and (T0364)L132.CG only 0.000 apart, marking (T0364)L132.CG as missing WARNING: atoms too close: (T0364)V91.CG1 and (T0364)L132.CG only 0.000 apart, marking (T0364)L132.CG as missing WARNING: atoms too close: (T0364)H90.CG and (T0364)L132.CG only 0.000 apart, marking (T0364)L132.CG as missing WARNING: atoms too close: (T0364)L89.CG and (T0364)L132.CG only 0.000 apart, marking (T0364)L132.CG as missing WARNING: atoms too close: (T0364)R88.CG and (T0364)L132.CG only 0.000 apart, marking (T0364)L132.CG as missing WARNING: atoms too close: (T0364)T58.CG2 and (T0364)L132.CG only 0.000 apart, marking (T0364)L132.CG as missing WARNING: atoms too close: (T0364)Q109.O and (T0364)L132.O only 0.000 apart, marking (T0364)L132.O as missing WARNING: atoms too close: (T0364)Y92.O and (T0364)L132.O only 0.000 apart, marking (T0364)L132.O as missing WARNING: atoms too close: (T0364)V91.O and (T0364)L132.O only 0.000 apart, marking (T0364)L132.O as missing WARNING: atoms too close: (T0364)H90.O and (T0364)L132.O only 0.000 apart, marking (T0364)L132.O as missing WARNING: atoms too close: (T0364)L89.O and (T0364)L132.O only 0.000 apart, marking (T0364)L132.O as missing WARNING: atoms too close: (T0364)R88.O and (T0364)L132.O only 0.000 apart, marking (T0364)L132.O as missing WARNING: atoms too close: (T0364)T58.O and (T0364)L132.O only 0.000 apart, marking (T0364)L132.O as missing WARNING: atoms too close: (T0364)Q109.C and (T0364)L132.C only 0.000 apart, marking (T0364)L132.C as missing WARNING: atoms too close: (T0364)Y92.C and (T0364)L132.C only 0.000 apart, marking (T0364)L132.C as missing WARNING: atoms too close: (T0364)V91.C and (T0364)L132.C only 0.000 apart, marking (T0364)L132.C as missing WARNING: atoms too close: (T0364)H90.C and (T0364)L132.C only 0.000 apart, marking (T0364)L132.C as missing WARNING: atoms too close: (T0364)L89.C and (T0364)L132.C only 0.000 apart, marking (T0364)L132.C as missing WARNING: atoms too close: (T0364)R88.C and (T0364)L132.C only 0.000 apart, marking (T0364)L132.C as missing WARNING: atoms too close: (T0364)T58.C and (T0364)L132.C only 0.000 apart, marking (T0364)L132.C as missing # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0364 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 261 model score -0.5419 model score -0.4327 model score -0.5247 model score -0.5379 model score -0.4434 model score -0.4955 model score -0.4861 model score -0.4924 model score -0.4986 model score -0.4931 model score -0.4951 model score -0.2599 model score -0.4439 model score -0.4761 model score -0.6518 model score -0.6278 model score -0.5429 model score -0.0939 model score -0.0999 model score 1.1923 model score 1.4317 model score 1.3409 model score 1.5130 model score 1.2597 model score -0.6611 model score -0.2176 model score -0.5787 model score -0.6206 model score -0.6296 model score -0.5861 model score -0.6052 model score -0.1634 model score -0.1099 model score -0.3424 model score -0.5035 model score -0.6281 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.5487 model score -0.6363 model score -0.3562 model score -0.5190 model score -0.5132 model score -0.5553 model score -0.5787 model score -0.6206 model score -0.3562 model score -0.5082 model score -0.6747 model score -0.6691 model score -0.6340 model score -0.5972 model score -0.6319 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.1700 model score 2.4214 model score 2.3776 model score 2.3726 model score 1.9082 model score -0.5168 model score -0.5207 model score -0.5262 model score -0.1770 model score -0.3843 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.5383 model score -0.4887 model score -0.5690 model score -0.5310 model score -0.5082 model score 0.0550 model score -0.3257 model score -0.3109 model score -0.2387 model score 0.7538 model score -0.6499 model score -0.5661 model score -0.5120 model score -0.6201 model score -0.5805 model score -0.5849 model score -0.6468 model score -0.6468 model score 0.0447 model score 0.6125 model score -0.2867 model score 1.4053 model score 0.6066 model score -0.6089 model score -0.2360 model score -0.4442 model score -0.5608 model score -0.0284 model score 1.2771 model score -0.5585 model score -0.3388 model score -0.5725 model score -0.6100 model score -0.5842 model score -0.3388 model score -0.5557 model score -0.5725 model score -0.6100 model score -0.5808 model score -0.6622 model score -0.6223 model score -0.6700 model score -0.6682 model score -0.6726 model score -0.6089 model score 1.9760 model score 2.0746 model score 1.8911 model score 2.0876 model score 1.8916 model score -0.5963 model score -0.5955 model score -0.5928 model score -0.6114 model score -0.6018 model score -0.6128 model score -0.6217 model score -0.6145 model score -0.6180 model score -0.6026 model score -0.6502 model score -0.6281 model score -0.6490 model score -0.6290 model score -0.6255 model score -0.6501 model score -0.6344 model score -0.6305 model score -0.6388 model score -0.6381 model score -0.6392 model score -0.6366 model score -0.5821 model score -0.6490 model score -0.5292 model score -0.5835 model score -0.6401 model score -0.5344 model score -0.6401 model score -0.6317 model score -0.5806 model score -0.5757 model score -0.6339 model score -0.6339 model score -0.5780 model score -0.5757 model score -0.6186 model score -0.6491 model score -0.6491 model score -0.6321 model score -0.6186 model score -0.5605 model score -0.5534 model score -0.4749 model score -0.5454 model score -0.4848 model score -0.6409 model score -0.4969 model score -0.4496 model score -0.5438 model score -0.5866 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.6403 model score -0.6351 model score -0.6054 model score -0.5847 model score 0.0991 model score -0.6380 model score -0.5976 model score -0.5380 model score -0.5694 model score -0.4320 model score -0.6392 model score -0.5974 model score -0.5694 model score -0.5380 model score -0.4953 model score -0.6452 model score -0.6169 model score -0.5380 model score -0.4998 model score -0.3934 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.5729 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.6345 model score -0.6105 model score -0.6394 model score -0.6370 model score -0.6366 model score -0.6212 model score -0.6215 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.5787 model score -0.5747 model score -0.5525 model score -0.6132 model score -0.6339 model score 2.0906 model score 2.2218 model score 2.0865 model score 2.0915 model score 2.2501 model score -0.6530 model score -0.5877 model score -0.3958 model score -0.4784 model score -0.5839 model score -0.5287 model score -0.5678 model score -0.5678 model score -0.4967 model score -0.5171 model score -0.5267 model score -0.5325 model score -0.3520 model score -0.5124 model score -0.5772 model score -0.3582 model score 1.4741 model score -0.6282 weight: 0.9614 eval: -0.5419 min: -0.6747 max: 2.4214 weight: 0.9296 eval: -0.4327 min: -0.6747 max: 2.4214 weight: 0.9564 eval: -0.5247 min: -0.6747 max: 2.4214 weight: 0.9602 eval: -0.5379 min: -0.6747 max: 2.4214 weight: 0.9328 eval: -0.4434 min: -0.6747 max: 2.4214 weight: 0.9479 eval: -0.4955 min: -0.6747 max: 2.4214 weight: 0.9452 eval: -0.4861 min: -0.6747 max: 2.4214 weight: 0.9470 eval: -0.4924 min: -0.6747 max: 2.4214 weight: 0.9488 eval: -0.4986 min: -0.6747 max: 2.4214 weight: 0.9472 eval: -0.4931 min: -0.6747 max: 2.4214 weight: 0.9478 eval: -0.4951 min: -0.6747 max: 2.4214 weight: 0.8794 eval: -0.2599 min: -0.6747 max: 2.4214 weight: 0.9329 eval: -0.4439 min: -0.6747 max: 2.4214 weight: 0.9423 eval: -0.4761 min: -0.6747 max: 2.4214 weight: 0.9933 eval: -0.6518 min: -0.6747 max: 2.4214 weight: 0.9864 eval: -0.6278 min: -0.6747 max: 2.4214 weight: 0.9617 eval: -0.5429 min: -0.6747 max: 2.4214 weight: 0.8312 eval: -0.0939 min: -0.6747 max: 2.4214 weight: 0.8329 eval: -0.0999 min: -0.6747 max: 2.4214 weight: 0.4573 eval: 1.1923 min: -0.6747 max: 2.4214 weight: 0.3877 eval: 1.4317 min: -0.6747 max: 2.4214 weight: 0.4141 eval: 1.3409 min: -0.6747 max: 2.4214 weight: 0.3640 eval: 1.5130 min: -0.6747 max: 2.4214 weight: 0.4377 eval: 1.2597 min: -0.6747 max: 2.4214 weight: 0.9960 eval: -0.6611 min: -0.6747 max: 2.4214 weight: 0.8671 eval: -0.2176 min: -0.6747 max: 2.4214 weight: 0.9721 eval: -0.5787 min: -0.6747 max: 2.4214 weight: 0.9843 eval: -0.6206 min: -0.6747 max: 2.4214 weight: 0.9869 eval: -0.6296 min: -0.6747 max: 2.4214 weight: 0.9742 eval: -0.5861 min: -0.6747 max: 2.4214 weight: 0.9798 eval: -0.6052 min: -0.6747 max: 2.4214 weight: 0.8514 eval: -0.1634 min: -0.6747 max: 2.4214 weight: 0.8358 eval: -0.1099 min: -0.6747 max: 2.4214 weight: 0.9034 eval: -0.3424 min: -0.6747 max: 2.4214 weight: 0.9502 eval: -0.5035 min: -0.6747 max: 2.4214 weight: 0.9864 eval: -0.6281 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.9634 eval: -0.5487 min: -0.6747 max: 2.4214 weight: 0.9888 eval: -0.6363 min: -0.6747 max: 2.4214 weight: 0.9074 eval: -0.3562 min: -0.6747 max: 2.4214 weight: 0.9547 eval: -0.5190 min: -0.6747 max: 2.4214 weight: 0.9530 eval: -0.5132 min: -0.6747 max: 2.4214 weight: 0.9653 eval: -0.5553 min: -0.6747 max: 2.4214 weight: 0.9721 eval: -0.5787 min: -0.6747 max: 2.4214 weight: 0.9843 eval: -0.6206 min: -0.6747 max: 2.4214 weight: 0.9074 eval: -0.3562 min: -0.6747 max: 2.4214 weight: 0.9516 eval: -0.5082 min: -0.6747 max: 2.4214 weight: 1.0000 eval: -0.6747 min: -0.6747 max: 2.4214 weight: 0.9984 eval: -0.6691 min: -0.6747 max: 2.4214 weight: 0.9882 eval: -0.6340 min: -0.6747 max: 2.4214 weight: 0.9775 eval: -0.5972 min: -0.6747 max: 2.4214 weight: 0.9876 eval: -0.6319 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.1731 eval: 2.1700 min: -0.6747 max: 2.4214 weight: 0.1000 eval: 2.4214 min: -0.6747 max: 2.4214 weight: 0.1127 eval: 2.3776 min: -0.6747 max: 2.4214 weight: 0.1142 eval: 2.3726 min: -0.6747 max: 2.4214 weight: 0.2492 eval: 1.9082 min: -0.6747 max: 2.4214 weight: 0.9541 eval: -0.5168 min: -0.6747 max: 2.4214 weight: 0.9552 eval: -0.5207 min: -0.6747 max: 2.4214 weight: 0.9568 eval: -0.5262 min: -0.6747 max: 2.4214 weight: 0.8553 eval: -0.1770 min: -0.6747 max: 2.4214 weight: 0.9156 eval: -0.3843 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.9603 eval: -0.5383 min: -0.6747 max: 2.4214 weight: 0.9459 eval: -0.4887 min: -0.6747 max: 2.4214 weight: 0.9693 eval: -0.5690 min: -0.6747 max: 2.4214 weight: 0.9582 eval: -0.5310 min: -0.6747 max: 2.4214 weight: 0.9516 eval: -0.5082 min: -0.6747 max: 2.4214 weight: 0.7879 eval: 0.0550 min: -0.6747 max: 2.4214 weight: 0.8985 eval: -0.3257 min: -0.6747 max: 2.4214 weight: 0.8942 eval: -0.3109 min: -0.6747 max: 2.4214 weight: 0.8732 eval: -0.2387 min: -0.6747 max: 2.4214 weight: 0.5848 eval: 0.7538 min: -0.6747 max: 2.4214 weight: 0.9928 eval: -0.6499 min: -0.6747 max: 2.4214 weight: 0.9684 eval: -0.5661 min: -0.6747 max: 2.4214 weight: 0.9527 eval: -0.5120 min: -0.6747 max: 2.4214 weight: 0.9841 eval: -0.6201 min: -0.6747 max: 2.4214 weight: 0.9726 eval: -0.5805 min: -0.6747 max: 2.4214 weight: 0.9739 eval: -0.5849 min: -0.6747 max: 2.4214 weight: 0.9919 eval: -0.6468 min: -0.6747 max: 2.4214 weight: 0.9919 eval: -0.6468 min: -0.6747 max: 2.4214 weight: 0.7909 eval: 0.0447 min: -0.6747 max: 2.4214 weight: 0.6258 eval: 0.6125 min: -0.6747 max: 2.4214 weight: 0.8872 eval: -0.2867 min: -0.6747 max: 2.4214 weight: 0.3954 eval: 1.4053 min: -0.6747 max: 2.4214 weight: 0.6275 eval: 0.6066 min: -0.6747 max: 2.4214 weight: 0.9809 eval: -0.6089 min: -0.6747 max: 2.4214 weight: 0.8725 eval: -0.2360 min: -0.6747 max: 2.4214 weight: 0.9330 eval: -0.4442 min: -0.6747 max: 2.4214 weight: 0.9669 eval: -0.5608 min: -0.6747 max: 2.4214 weight: 0.8121 eval: -0.0284 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.9662 eval: -0.5585 min: -0.6747 max: 2.4214 weight: 0.9023 eval: -0.3388 min: -0.6747 max: 2.4214 weight: 0.9703 eval: -0.5725 min: -0.6747 max: 2.4214 weight: 0.9812 eval: -0.6100 min: -0.6747 max: 2.4214 weight: 0.9737 eval: -0.5842 min: -0.6747 max: 2.4214 weight: 0.9023 eval: -0.3388 min: -0.6747 max: 2.4214 weight: 0.9654 eval: -0.5557 min: -0.6747 max: 2.4214 weight: 0.9703 eval: -0.5725 min: -0.6747 max: 2.4214 weight: 0.9812 eval: -0.6100 min: -0.6747 max: 2.4214 weight: 0.9727 eval: -0.5808 min: -0.6747 max: 2.4214 weight: 0.9964 eval: -0.6622 min: -0.6747 max: 2.4214 weight: 0.9848 eval: -0.6223 min: -0.6747 max: 2.4214 weight: 0.9986 eval: -0.6700 min: -0.6747 max: 2.4214 weight: 0.9981 eval: -0.6682 min: -0.6747 max: 2.4214 weight: 0.9994 eval: -0.6726 min: -0.6747 max: 2.4214 weight: 0.9809 eval: -0.6089 min: -0.6747 max: 2.4214 weight: 0.2295 eval: 1.9760 min: -0.6747 max: 2.4214 weight: 0.2008 eval: 2.0746 min: -0.6747 max: 2.4214 weight: 0.2541 eval: 1.8911 min: -0.6747 max: 2.4214 weight: 0.1970 eval: 2.0876 min: -0.6747 max: 2.4214 weight: 0.2540 eval: 1.8916 min: -0.6747 max: 2.4214 weight: 0.9772 eval: -0.5963 min: -0.6747 max: 2.4214 weight: 0.9770 eval: -0.5955 min: -0.6747 max: 2.4214 weight: 0.9762 eval: -0.5928 min: -0.6747 max: 2.4214 weight: 0.9816 eval: -0.6114 min: -0.6747 max: 2.4214 weight: 0.9788 eval: -0.6018 min: -0.6747 max: 2.4214 weight: 0.9820 eval: -0.6128 min: -0.6747 max: 2.4214 weight: 0.9846 eval: -0.6217 min: -0.6747 max: 2.4214 weight: 0.9825 eval: -0.6145 min: -0.6747 max: 2.4214 weight: 0.9835 eval: -0.6180 min: -0.6747 max: 2.4214 weight: 0.9790 eval: -0.6026 min: -0.6747 max: 2.4214 weight: 0.9929 eval: -0.6502 min: -0.6747 max: 2.4214 weight: 0.9865 eval: -0.6281 min: -0.6747 max: 2.4214 weight: 0.9925 eval: -0.6490 min: -0.6747 max: 2.4214 weight: 0.9867 eval: -0.6290 min: -0.6747 max: 2.4214 weight: 0.9857 eval: -0.6255 min: -0.6747 max: 2.4214 weight: 0.9928 eval: -0.6501 min: -0.6747 max: 2.4214 weight: 0.9883 eval: -0.6344 min: -0.6747 max: 2.4214 weight: 0.9872 eval: -0.6305 min: -0.6747 max: 2.4214 weight: 0.9896 eval: -0.6388 min: -0.6747 max: 2.4214 weight: 0.9893 eval: -0.6381 min: -0.6747 max: 2.4214 weight: 0.9897 eval: -0.6392 min: -0.6747 max: 2.4214 weight: 0.9889 eval: -0.6366 min: -0.6747 max: 2.4214 weight: 0.9731 eval: -0.5821 min: -0.6747 max: 2.4214 weight: 0.9925 eval: -0.6490 min: -0.6747 max: 2.4214 weight: 0.9577 eval: -0.5292 min: -0.6747 max: 2.4214 weight: 0.9735 eval: -0.5835 min: -0.6747 max: 2.4214 weight: 0.9899 eval: -0.6401 min: -0.6747 max: 2.4214 weight: 0.9592 eval: -0.5344 min: -0.6747 max: 2.4214 weight: 0.9899 eval: -0.6401 min: -0.6747 max: 2.4214 weight: 0.9875 eval: -0.6317 min: -0.6747 max: 2.4214 weight: 0.9726 eval: -0.5806 min: -0.6747 max: 2.4214 weight: 0.9712 eval: -0.5757 min: -0.6747 max: 2.4214 weight: 0.9881 eval: -0.6339 min: -0.6747 max: 2.4214 weight: 0.9881 eval: -0.6339 min: -0.6747 max: 2.4214 weight: 0.9719 eval: -0.5780 min: -0.6747 max: 2.4214 weight: 0.9712 eval: -0.5757 min: -0.6747 max: 2.4214 weight: 0.9837 eval: -0.6186 min: -0.6747 max: 2.4214 weight: 0.9926 eval: -0.6491 min: -0.6747 max: 2.4214 weight: 0.9926 eval: -0.6491 min: -0.6747 max: 2.4214 weight: 0.9876 eval: -0.6321 min: -0.6747 max: 2.4214 weight: 0.9837 eval: -0.6186 min: -0.6747 max: 2.4214 weight: 0.9668 eval: -0.5605 min: -0.6747 max: 2.4214 weight: 0.9647 eval: -0.5534 min: -0.6747 max: 2.4214 weight: 0.9419 eval: -0.4749 min: -0.6747 max: 2.4214 weight: 0.9624 eval: -0.5454 min: -0.6747 max: 2.4214 weight: 0.9448 eval: -0.4848 min: -0.6747 max: 2.4214 weight: 0.9902 eval: -0.6409 min: -0.6747 max: 2.4214 weight: 0.9483 eval: -0.4969 min: -0.6747 max: 2.4214 weight: 0.9346 eval: -0.4496 min: -0.6747 max: 2.4214 weight: 0.9619 eval: -0.5438 min: -0.6747 max: 2.4214 weight: 0.9744 eval: -0.5866 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.9900 eval: -0.6403 min: -0.6747 max: 2.4214 weight: 0.9885 eval: -0.6351 min: -0.6747 max: 2.4214 weight: 0.9798 eval: -0.6054 min: -0.6747 max: 2.4214 weight: 0.9738 eval: -0.5847 min: -0.6747 max: 2.4214 weight: 0.7751 eval: 0.0991 min: -0.6747 max: 2.4214 weight: 0.9893 eval: -0.6380 min: -0.6747 max: 2.4214 weight: 0.9776 eval: -0.5976 min: -0.6747 max: 2.4214 weight: 0.9602 eval: -0.5380 min: -0.6747 max: 2.4214 weight: 0.9694 eval: -0.5694 min: -0.6747 max: 2.4214 weight: 0.9295 eval: -0.4320 min: -0.6747 max: 2.4214 weight: 0.9897 eval: -0.6392 min: -0.6747 max: 2.4214 weight: 0.9775 eval: -0.5974 min: -0.6747 max: 2.4214 weight: 0.9694 eval: -0.5694 min: -0.6747 max: 2.4214 weight: 0.9602 eval: -0.5380 min: -0.6747 max: 2.4214 weight: 0.9478 eval: -0.4953 min: -0.6747 max: 2.4214 weight: 0.9914 eval: -0.6452 min: -0.6747 max: 2.4214 weight: 0.9832 eval: -0.6169 min: -0.6747 max: 2.4214 weight: 0.9602 eval: -0.5380 min: -0.6747 max: 2.4214 weight: 0.9492 eval: -0.4998 min: -0.6747 max: 2.4214 weight: 0.9182 eval: -0.3934 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.9704 eval: -0.5729 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.9883 eval: -0.6345 min: -0.6747 max: 2.4214 weight: 0.9813 eval: -0.6105 min: -0.6747 max: 2.4214 weight: 0.9897 eval: -0.6394 min: -0.6747 max: 2.4214 weight: 0.9890 eval: -0.6370 min: -0.6747 max: 2.4214 weight: 0.9889 eval: -0.6366 min: -0.6747 max: 2.4214 weight: 0.9845 eval: -0.6212 min: -0.6747 max: 2.4214 weight: 0.9845 eval: -0.6215 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.4326 eval: 1.2771 min: -0.6747 max: 2.4214 weight: 0.9721 eval: -0.5787 min: -0.6747 max: 2.4214 weight: 0.9709 eval: -0.5747 min: -0.6747 max: 2.4214 weight: 0.9645 eval: -0.5525 min: -0.6747 max: 2.4214 weight: 0.9821 eval: -0.6132 min: -0.6747 max: 2.4214 weight: 0.9881 eval: -0.6339 min: -0.6747 max: 2.4214 weight: 0.1962 eval: 2.0906 min: -0.6747 max: 2.4214 weight: 0.1580 eval: 2.2218 min: -0.6747 max: 2.4214 weight: 0.1973 eval: 2.0865 min: -0.6747 max: 2.4214 weight: 0.1959 eval: 2.0915 min: -0.6747 max: 2.4214 weight: 0.1498 eval: 2.2501 min: -0.6747 max: 2.4214 weight: 0.9937 eval: -0.6530 min: -0.6747 max: 2.4214 weight: 0.9747 eval: -0.5877 min: -0.6747 max: 2.4214 weight: 0.9189 eval: -0.3958 min: -0.6747 max: 2.4214 weight: 0.9429 eval: -0.4784 min: -0.6747 max: 2.4214 weight: 0.9736 eval: -0.5839 min: -0.6747 max: 2.4214 weight: 0.9575 eval: -0.5287 min: -0.6747 max: 2.4214 weight: 0.9689 eval: -0.5678 min: -0.6747 max: 2.4214 weight: 0.9689 eval: -0.5678 min: -0.6747 max: 2.4214 weight: 0.9482 eval: -0.4967 min: -0.6747 max: 2.4214 weight: 0.9542 eval: -0.5171 min: -0.6747 max: 2.4214 weight: 0.9570 eval: -0.5267 min: -0.6747 max: 2.4214 weight: 0.9587 eval: -0.5325 min: -0.6747 max: 2.4214 weight: 0.9062 eval: -0.3520 min: -0.6747 max: 2.4214 weight: 0.9528 eval: -0.5124 min: -0.6747 max: 2.4214 weight: 0.9717 eval: -0.5772 min: -0.6747 max: 2.4214 weight: 0.9080 eval: -0.3582 min: -0.6747 max: 2.4214 weight: 0.3754 eval: 1.4741 min: -0.6747 max: 2.4214 weight: 0.9865 eval: -0.6282 min: -0.6747 max: 2.4214 Adding 5289 constraints to all2.constraints Done adding distance constraints # command:Reading probabilities from probabilities.dat Reading constraints from ConstraintSet all2.constraints maxweight: 1.0000 Optimizing... Probability sum: -282.4956, CN propb: -282.4956 weights: 0.3845 constraints: 537 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 537 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 537 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 4752 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 4752 # command:Found ConstraintSet # PrintContacts non_contacts.constraints_meta02 Number of constraints in noncontact2.constraints 0 # command:Found ConstraintSet # PrintContacts non_contacts_bonus.constraints_meta02 Number of constraints in noncontact2.constraints.bonus 0 # command:Found ConstraintSet # PrintContacts all.constraints_meta02 Number of constraints in all2.constraints 5289 # command: