# 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/T0351/ # command:# Making conformation for sequence T0351 numbered 1 through 117 Created new target T0351 from T0351.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0351/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0351//projects/compbio/experiments/protein-predict/casp7/T0351/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0351//projects/compbio/experiments/protein-predict/casp7/T0351/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0351/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0351/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((T0351)L53.CB, (T0351)Q64.CB) [> 3.9899 = 6.6499 < 8.6448] w=0.9817 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)Y59.CB) [> 4.1343 = 6.8905 < 8.9577] w=0.9065 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)E60.CB) [> 4.2584 = 7.0974 < 9.2266] w=0.8374 to align # Constraint # added constraint: constraint((T0351)L22.CB, (T0351)I31.CB) [> 2.7557 = 4.5928 < 5.9706] w=0.8063 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)L82.CB) [> 4.0691 = 6.7818 < 8.8163] w=0.6686 to align # Constraint # added constraint: constraint((T0351)E21.CB, (T0351)Y30.CB) [> 4.0437 = 6.7395 < 8.7613] w=0.6469 to align # Constraint # added constraint: constraint((T0351)L85.CB, (T0351)I96.CB) [> 3.5974 = 5.9957 < 7.7944] w=0.5108 to align # Constraint # added constraint: constraint((T0351)L22.CB, (T0351)E32.CB) [> 3.3465 = 5.5776 < 7.2508] w=0.5023 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)L82.CB) [> 3.3007 = 5.5012 < 7.1516] w=0.4746 to align # Constraint # added constraint: constraint((T0351)E52.CB, (T0351)L67.CB) [> 4.3973 = 7.3288 < 9.5275] w=0.4730 to align # Constraint # added constraint: constraint((T0351)E21.CB, (T0351)I31.CB) [> 4.7109 = 7.8515 < 10.2070] w=0.4448 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)R79.CB) [> 3.7465 = 6.2442 < 8.1175] w=0.4210 to align # Constraint # added constraint: constraint((T0351)S16.CB, (T0351)W50.CB) [> 4.3781 = 7.2968 < 9.4859] w=0.4187 to align # Constraint # added constraint: constraint((T0351)R17.CB, (T0351)Q43.CB) [> 2.4714 = 4.1189 < 5.3546] w=0.4187 to align # Constraint # added constraint: constraint((T0351)R17.CB, (T0351)L46.CB) [> 2.9504 = 4.9173 < 6.3925] w=0.4187 to align # Constraint # added constraint: constraint((T0351)R17.CB, (T0351)E47.CB) [> 2.6284 = 4.3807 < 5.6950] w=0.4187 to align # Constraint # added constraint: constraint((T0351)R17.CB, (T0351)W50.CB) [> 3.6629 = 6.1049 < 7.9364] w=0.4187 to align # Constraint # added constraint: constraint((T0351)K18.CB, (T0351)Q43.CB) [> 3.6799 = 6.1332 < 7.9731] w=0.4187 to align # Constraint # added constraint: constraint((T0351)F20.CB, (T0351)L46.CB) [> 3.1498 = 5.2497 < 6.8246] w=0.4187 to align # Constraint # added constraint: constraint((T0351)L22.CB, (T0351)E45.CB) [> 4.6254 = 7.7090 < 10.0216] w=0.4187 to align # Constraint # added constraint: constraint((T0351)L22.CB, (T0351)L46.CB) [> 3.5075 = 5.8458 < 7.5995] w=0.4187 to align # Constraint # added constraint: constraint((T0351)L22.CB, (T0351)W49.CB) [> 4.5613 = 7.6022 < 9.8828] w=0.4187 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)L68.CB) [> 3.7220 = 6.2034 < 8.0644] w=0.4120 to align # Constraint # added constraint: constraint((T0351)L22.CB, (T0351)W34.CB) [> 3.8559 = 6.4265 < 8.3545] w=0.4091 to align # Constraint # added constraint: constraint((T0351)L46.CB, (T0351)L85.CB) [> 3.5993 = 5.9989 < 7.7986] w=0.3980 to align # Constraint # added constraint: constraint((T0351)L46.CB, (T0351)L82.CB) [> 4.2767 = 7.1279 < 9.2662] w=0.3904 to align # Constraint # added constraint: constraint((T0351)D19.CB, (T0351)K33.CB) [> 3.6380 = 6.0633 < 7.8822] w=0.3678 to align # Constraint # added constraint: constraint((T0351)F20.CB, (T0351)W50.CB) [> 4.2699 = 7.1165 < 9.2515] w=0.3532 to align # Constraint # added constraint: constraint((T0351)E21.CB, (T0351)K33.CB) [> 3.3795 = 5.6324 < 7.3222] w=0.3429 to align # Constraint # added constraint: constraint((T0351)F20.CB, (T0351)N35.CB) [> 4.5056 = 7.5093 < 9.7621] w=0.3429 to align # Constraint # added constraint: constraint((T0351)D19.CB, (T0351)L36.CB) [> 3.7784 = 6.2974 < 8.1866] w=0.3429 to align # Constraint # added constraint: constraint((T0351)Q54.CB, (T0351)V65.CB) [> 3.0549 = 5.0915 < 6.6189] w=0.3427 to align # Constraint # added constraint: constraint((T0351)L72.CB, (T0351)I96.CB) [> 3.9211 = 6.5352 < 8.4957] w=0.3327 to align # Constraint # added constraint: constraint((T0351)L67.CB, (T0351)A78.CB) [> 4.1103 = 6.8505 < 8.9057] w=0.3307 to align # Constraint # added constraint: constraint((T0351)L3.CB, (T0351)V65.CB) [> 3.2922 = 5.4871 < 7.1332] w=0.3123 to align # Constraint # added constraint: constraint((T0351)I7.CB, (T0351)K18.CB) [> 4.4951 = 7.4918 < 9.7394] w=0.3123 to align # Constraint # added constraint: constraint((T0351)K18.CB, (T0351)W50.CB) [> 4.5602 = 7.6003 < 9.8804] w=0.3123 to align # Constraint # added constraint: constraint((T0351)K18.CB, (T0351)E60.CB) [> 3.7160 = 6.1933 < 8.0513] w=0.3123 to align # Constraint # added constraint: constraint((T0351)D19.CB, (T0351)E60.CB) [> 3.3839 = 5.6398 < 7.3317] w=0.3123 to align # Constraint # added constraint: constraint((T0351)F20.CB, (T0351)I31.CB) [> 3.6332 = 6.0553 < 7.8719] w=0.3073 to align # Constraint # added constraint: constraint((T0351)I7.CB, (T0351)L22.CB) [> 4.5554 = 7.5924 < 9.8701] w=0.3065 to align # Constraint # added constraint: constraint((T0351)I7.CB, (T0351)F20.CB) [> 4.0353 = 6.7255 < 8.7431] w=0.3065 to align # Constraint # added constraint: constraint((T0351)L68.CB, (T0351)A78.CB) [> 3.1867 = 5.3112 < 6.9046] w=0.2842 to align # Constraint # added constraint: constraint((T0351)W34.CB, (T0351)L46.CB) [> 4.3043 = 7.1739 < 9.3260] w=0.2837 to align # Constraint # added constraint: constraint((T0351)A6.CB, (T0351)L22.CB) [> 4.5732 = 7.6220 < 9.9086] w=0.2791 to align # Constraint # added constraint: constraint((T0351)I7.CB, (T0351)W49.CB) [> 3.6487 = 6.0812 < 7.9055] w=0.2791 to align # Constraint # added constraint: constraint((T0351)I7.CB, (T0351)W50.CB) [> 4.2342 = 7.0569 < 9.1740] w=0.2791 to align # Constraint # added constraint: constraint((T0351)I7.CB, (T0351)L53.CB) [> 3.6251 = 6.0419 < 7.8545] w=0.2791 to align # Constraint # added constraint: constraint((T0351)M8.CB, (T0351)L53.CB) [> 3.3829 = 5.6382 < 7.3296] w=0.2791 to align # Constraint # added constraint: constraint((T0351)Y30.CB, (T0351)T42.CB) [> 4.5161 = 7.5269 < 9.7850] w=0.2791 to align # Constraint # added constraint: constraint((T0351)I31.CB, (T0351)T42.CB) [> 3.3468 = 5.5780 < 7.2514] w=0.2791 to align # Constraint # added constraint: constraint((T0351)Q54.CB, (T0351)L93.CB) [> 4.5898 = 7.6497 < 9.9446] w=0.2787 to align # Constraint # added constraint: constraint((T0351)P39.CB, (T0351)W49.CB) [> 3.2999 = 5.4999 < 7.1499] w=0.2773 to align # Constraint # added constraint: constraint((T0351)L82.CB, (T0351)L93.CB) [> 4.0968 = 6.8280 < 8.8764] w=0.2767 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)L93.CB) [> 4.0852 = 6.8087 < 8.8513] w=0.2724 to align # Constraint # added constraint: constraint((T0351)L68.CB, (T0351)I96.CB) [> 2.9371 = 4.8951 < 6.3637] w=0.2706 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)I96.CB) [> 3.8473 = 6.4122 < 8.3359] w=0.2706 to align # Constraint # added constraint: constraint((T0351)P62.CB, (T0351)A78.CB) [> 3.9158 = 6.5264 < 8.4843] w=0.2681 to align # Constraint # added constraint: constraint((T0351)Y30.CB, (T0351)Q64.CB) [> 4.1246 = 6.8743 < 8.9366] w=0.2621 to align # Constraint # added constraint: constraint((T0351)Y30.CB, (T0351)E60.CB) [> 3.5723 = 5.9538 < 7.7400] w=0.2621 to align # Constraint # added constraint: constraint((T0351)S29.CB, (T0351)E60.CB) [> 2.2849 = 3.8081 < 4.9505] w=0.2621 to align # Constraint # added constraint: constraint((T0351)L85.CB, (T0351)S99.CB) [> 3.1891 = 5.3151 < 6.9097] w=0.2561 to align # Constraint # added constraint: constraint((T0351)S94.CB, (T0351)G105.CA) [> 3.9761 = 6.6268 < 8.6149] w=0.2561 to align # Constraint # added constraint: constraint((T0351)S94.CB, (T0351)Y107.CB) [> 4.2383 = 7.0638 < 9.1830] w=0.2561 to align # Constraint # added constraint: constraint((T0351)S94.CB, (T0351)L110.CB) [> 2.7996 = 4.6661 < 6.0659] w=0.2561 to align # Constraint # added constraint: constraint((T0351)K97.CB, (T0351)Y107.CB) [> 3.4925 = 5.8209 < 7.5672] w=0.2561 to align # Constraint # added constraint: constraint((T0351)D19.CB, (T0351)W50.CB) [> 4.6870 = 7.8117 < 10.1553] w=0.2487 to align # Constraint # added constraint: constraint((T0351)W49.CB, (T0351)L68.CB) [> 3.9499 = 6.5832 < 8.5582] w=0.2271 to align # Constraint # added constraint: constraint((T0351)Y59.CB, (T0351)L68.CB) [> 3.3226 = 5.5376 < 7.1989] w=0.2127 to align # Constraint # added constraint: constraint((T0351)Y4.CB, (T0351)L53.CB) [> 3.6369 = 6.0615 < 7.8800] w=0.2103 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)N86.CB) [> 2.7036 = 4.5060 < 5.8578] w=0.2095 to align # Constraint # added constraint: constraint((T0351)Q64.CB, (T0351)N86.CB) [> 4.5149 = 7.5249 < 9.7823] w=0.2095 to align # Constraint # added constraint: constraint((T0351)L40.CB, (T0351)W49.CB) [> 4.4468 = 7.4113 < 9.6348] w=0.2075 to align # Constraint # added constraint: constraint((T0351)Y59.CB, (T0351)K97.CB) [> 4.5672 = 7.6120 < 9.8956] w=0.2061 to align # Constraint # added constraint: constraint((T0351)E60.CB, (T0351)I96.CB) [> 4.3179 = 7.1964 < 9.3554] w=0.2061 to align # Constraint # added constraint: constraint((T0351)E60.CB, (T0351)K97.CB) [> 2.8606 = 4.7676 < 6.1979] w=0.2061 to align # Constraint # added constraint: constraint((T0351)E60.CB, (T0351)L100.CB) [> 2.0512 = 3.4187 < 4.4443] w=0.2061 to align # Constraint # added constraint: constraint((T0351)E60.CB, (T0351)L101.CB) [> 3.0512 = 5.0853 < 6.6109] w=0.2061 to align # Constraint # added constraint: constraint((T0351)E60.CB, (T0351)K104.CB) [> 4.1019 = 6.8366 < 8.8875] w=0.2061 to align # Constraint # added constraint: constraint((T0351)P61.CB, (T0351)L101.CB) [> 4.5115 = 7.5192 < 9.7750] w=0.2061 to align # Constraint # added constraint: constraint((T0351)P62.CB, (T0351)L101.CB) [> 3.7421 = 6.2368 < 8.1079] w=0.2061 to align # Constraint # added constraint: constraint((T0351)P62.CB, (T0351)K104.CB) [> 3.2216 = 5.3693 < 6.9801] w=0.2061 to align # Constraint # added constraint: constraint((T0351)Q64.CB, (T0351)L93.CB) [> 3.9625 = 6.6042 < 8.5854] w=0.2061 to align # Constraint # added constraint: constraint((T0351)L68.CB, (T0351)K97.CB) [> 3.5495 = 5.9159 < 7.6906] w=0.2061 to align # Constraint # added constraint: constraint((T0351)N56.CB, (T0351)V65.CB) [> 4.5338 = 7.5564 < 9.8233] w=0.2042 to align # Constraint # added constraint: constraint((T0351)L72.CB, (T0351)L100.CB) [> 2.5479 = 4.2464 < 5.5204] w=0.2038 to align # Constraint # added constraint: constraint((T0351)A14.CB, (T0351)A38.CB) [> 3.9513 = 6.5855 < 8.5612] w=0.2020 to align # Constraint # added constraint: constraint((T0351)K18.CB, (T0351)L36.CB) [> 3.0202 = 5.0337 < 6.5438] w=0.2020 to align # Constraint # added constraint: constraint((T0351)D19.CB, (T0351)W34.CB) [> 4.0089 = 6.6815 < 8.6859] w=0.2020 to align # Constraint # added constraint: constraint((T0351)F20.CB, (T0351)W34.CB) [> 3.6776 = 6.1293 < 7.9681] w=0.2020 to align # Constraint # added constraint: constraint((T0351)E21.CB, (T0351)E32.CB) [> 4.4816 = 7.4694 < 9.7102] w=0.2020 to align # Constraint # added constraint: constraint((T0351)P41.CB, (T0351)W50.CB) [> 4.5402 = 7.5670 < 9.8372] w=0.1958 to align # Constraint # added constraint: constraint((T0351)T42.CB, (T0351)Q81.CB) [> 4.6759 = 7.7931 < 10.1311] w=0.1958 to align # Constraint # added constraint: constraint((T0351)G28.CA, (T0351)P61.CB) [> 3.9738 = 6.6230 < 8.6099] w=0.1940 to align # Constraint # added constraint: constraint((T0351)L98.CB, (T0351)L110.CB) [> 4.3629 = 7.2715 < 9.4529] w=0.1924 to align # Constraint # added constraint: constraint((T0351)L3.CB, (T0351)Q64.CB) [> 4.3500 = 7.2500 < 9.4250] w=0.1864 to align # Constraint # added constraint: constraint((T0351)L3.CB, (T0351)L68.CB) [> 3.2200 = 5.3667 < 6.9767] w=0.1864 to align # Constraint # added constraint: constraint((T0351)A6.CB, (T0351)Q64.CB) [> 4.6696 = 7.7827 < 10.1175] w=0.1864 to align # Constraint # added constraint: constraint((T0351)A6.CB, (T0351)L68.CB) [> 4.0830 = 6.8050 < 8.8466] w=0.1864 to align # Constraint # added constraint: constraint((T0351)I7.CB, (T0351)V65.CB) [> 4.6431 = 7.7385 < 10.0601] w=0.1864 to align # Constraint # added constraint: constraint((T0351)K10.CB, (T0351)Q64.CB) [> 4.6507 = 7.7512 < 10.0765] w=0.1864 to align # Constraint # added constraint: constraint((T0351)K18.CB, (T0351)Q64.CB) [> 4.1821 = 6.9701 < 9.0611] w=0.1864 to align # Constraint # added constraint: constraint((T0351)D19.CB, (T0351)E32.CB) [> 3.3628 = 5.6048 < 7.2862] w=0.1657 to align # Constraint # added constraint: constraint((T0351)D19.CB, (T0351)I31.CB) [> 4.1265 = 6.8775 < 8.9407] w=0.1657 to align # Constraint # added constraint: constraint((T0351)W34.CB, (T0351)W50.CB) [> 4.7720 = 7.9534 < 10.3394] w=0.1594 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)L67.CB) [> 3.7876 = 6.3127 < 8.2064] w=0.1594 to align # Constraint # added constraint: constraint((T0351)A14.CB, (T0351)I31.CB) [> 4.2477 = 7.0795 < 9.2034] w=0.1449 to align # Constraint # added constraint: constraint((T0351)L40.CB, (T0351)E60.CB) [> 4.6918 = 7.8197 < 10.1656] w=0.1449 to align # Constraint # added constraint: constraint((T0351)L46.CB, (T0351)L68.CB) [> 4.2298 = 7.0497 < 9.1646] w=0.1449 to align # Constraint # added constraint: constraint((T0351)E21.CB, (T0351)N35.CB) [> 2.7376 = 4.5627 < 5.9315] w=0.1409 to align # Constraint # added constraint: constraint((T0351)E21.CB, (T0351)W34.CB) [> 4.5884 = 7.6474 < 9.9416] w=0.1409 to align # Constraint # added constraint: constraint((T0351)W34.CB, (T0351)Q81.CB) [> 3.7182 = 6.1970 < 8.0561] w=0.1409 to align # Constraint # added constraint: constraint((T0351)L3.CB, (T0351)V15.CB) [> 4.4966 = 7.4944 < 9.7427] w=0.1396 to align # Constraint # added constraint: constraint((T0351)Y4.CB, (T0351)N13.CB) [> 3.7341 = 6.2235 < 8.0905] w=0.1396 to align # Constraint # added constraint: constraint((T0351)Y4.CB, (T0351)A14.CB) [> 3.7970 = 6.3283 < 8.2268] w=0.1396 to align # Constraint # added constraint: constraint((T0351)Y4.CB, (T0351)V15.CB) [> 3.8353 = 6.3922 < 8.3098] w=0.1396 to align # Constraint # added constraint: constraint((T0351)E21.CB, (T0351)A38.CB) [> 4.3974 = 7.3290 < 9.5277] w=0.1396 to align # Constraint # added constraint: constraint((T0351)L22.CB, (T0351)P41.CB) [> 2.4953 = 4.1589 < 5.4065] w=0.1396 to align # Constraint # added constraint: constraint((T0351)R23.CB, (T0351)L36.CB) [> 3.9885 = 6.6475 < 8.6417] w=0.1396 to align # Constraint # added constraint: constraint((T0351)R23.CB, (T0351)A38.CB) [> 3.1622 = 5.2704 < 6.8515] w=0.1396 to align # Constraint # added constraint: constraint((T0351)R23.CB, (T0351)P41.CB) [> 4.4397 = 7.3996 < 9.6194] w=0.1396 to align # Constraint # added constraint: constraint((T0351)E60.CB, (T0351)S99.CB) [> 4.7003 = 7.8338 < 10.1840] w=0.1394 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)E92.CB) [> 4.3464 = 7.2440 < 9.4172] w=0.1394 to align # Constraint # added constraint: constraint((T0351)L72.CB, (T0351)L98.CB) [> 4.5756 = 7.6261 < 9.9139] w=0.1394 to align # Constraint # added constraint: constraint((T0351)L72.CB, (T0351)L101.CB) [> 2.8665 = 4.7775 < 6.2107] w=0.1394 to align # Constraint # added constraint: constraint((T0351)S73.CB, (T0351)L101.CB) [> 4.6760 = 7.7933 < 10.1313] w=0.1394 to align # Constraint # added constraint: constraint((T0351)L68.CB, (T0351)L100.CB) [> 4.6065 = 7.6775 < 9.9808] w=0.1331 to align # Constraint # added constraint: constraint((T0351)L68.CB, (T0351)L77.CB) [> 4.3658 = 7.2763 < 9.4592] w=0.1326 to align # Constraint # added constraint: constraint((T0351)Y9.CB, (T0351)A78.CB) [> 4.4881 = 7.4802 < 9.7242] w=0.1325 to align # Constraint # added constraint: constraint((T0351)M8.CB, (T0351)A78.CB) [> 3.3656 = 5.6093 < 7.2921] w=0.1325 to align # Constraint # added constraint: constraint((T0351)M8.CB, (T0351)L77.CB) [> 4.3022 = 7.1703 < 9.3214] w=0.1325 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)L100.CB) [> 3.5728 = 5.9546 < 7.7410] w=0.1305 to align # Constraint # added constraint: constraint((T0351)L89.CB, (T0351)S99.CB) [> 2.8663 = 4.7771 < 6.2102] w=0.1305 to align # Constraint # added constraint: constraint((T0351)L46.CB, (T0351)L98.CB) [> 3.8801 = 6.4668 < 8.4069] w=0.1289 to align # Constraint # added constraint: constraint((T0351)A6.CB, (T0351)V65.CB) [> 4.4284 = 7.3807 < 9.5949] w=0.1259 to align # Constraint # added constraint: constraint((T0351)L3.CB, (T0351)A69.CB) [> 4.4784 = 7.4641 < 9.7033] w=0.1242 to align # Constraint # added constraint: constraint((T0351)S16.CB, (T0351)L82.CB) [> 4.7631 = 7.9385 < 10.3200] w=0.0966 to align # Constraint # added constraint: constraint((T0351)V15.CB, (T0351)N24.CB) [> 2.8303 = 4.7171 < 6.1322] w=0.0966 to align # Constraint # added constraint: constraint((T0351)A14.CB, (T0351)Y30.CB) [> 4.7458 = 7.9097 < 10.2826] w=0.0966 to align # Constraint # added constraint: constraint((T0351)E60.CB, (T0351)L98.CB) [> 4.5330 = 7.5551 < 9.8216] w=0.0731 to align # Constraint # added constraint: constraint((T0351)N24.CB, (T0351)L89.CB) [> 4.1341 = 6.8902 < 8.9572] w=0.0704 to align # Constraint # added constraint: constraint((T0351)F20.CB, (T0351)Q81.CB) [> 4.2933 = 7.1555 < 9.3022] w=0.0704 to align # Constraint # added constraint: constraint((T0351)Y9.CB, (T0351)L89.CB) [> 4.4881 = 7.4802 < 9.7242] w=0.0663 to align # Constraint # added constraint: constraint((T0351)Y9.CB, (T0351)E75.CB) [> 4.4898 = 7.4830 < 9.7278] w=0.0663 to align # Constraint # added constraint: constraint((T0351)P39.CB, (T0351)L103.CB) [> 4.6453 = 7.7422 < 10.0648] w=0.0653 to align # Constraint # added constraint: constraint((T0351)A69.CB, (T0351)L103.CB) [> 3.5051 = 5.8418 < 7.5943] w=0.0644 to align # Constraint # added constraint: constraint((T0351)L68.CB, (T0351)L103.CB) [> 2.5626 = 4.2710 < 5.5523] w=0.0644 to align # Constraint # added constraint: constraint((T0351)L68.CB, (T0351)S102.CB) [> 3.0935 = 5.1558 < 6.7026] w=0.0644 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)S102.CB) [> 4.1250 = 6.8750 < 8.9375] w=0.0644 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)L98.CB) [> 3.4265 = 5.7108 < 7.4240] w=0.0644 to align # Constraint # added constraint: constraint((T0351)L72.CB, (T0351)L103.CB) [> 3.5386 = 5.8977 < 7.6670] w=0.0644 to align # Constraint # added constraint: constraint((T0351)W50.CB, (T0351)Q64.CB) [> 4.6756 = 7.7926 < 10.1304] w=0.0628 to align # Constraint # added constraint: constraint((T0351)D25.CB, (T0351)P39.CB) [> 2.9212 = 4.8687 < 6.3293] w=0.0623 to align # Constraint # added constraint: constraint((T0351)Y11.CB, (T0351)I31.CB) [> 2.6997 = 4.4995 < 5.8493] w=0.0274 to align # Constraint # added constraint: constraint((T0351)Y11.CB, (T0351)F20.CB) [> 3.5329 = 5.8882 < 7.6547] w=0.0274 to align # Constraint # added constraint: constraint((T0351)K10.CB, (T0351)F20.CB) [> 4.6245 = 7.7076 < 10.0199] w=0.0274 to align # Constraint # added constraint: constraint((T0351)L3.CB, (T0351)N24.CB) [> 4.6184 = 7.6974 < 10.0066] w=0.0274 to align # Constraint # added constraint: constraint((T0351)Q64.CB, (T0351)Y107.CB) [> 3.2021 = 5.3369 < 6.9379] w=0.0137 to align # Constraint # added constraint: constraint((T0351)Q64.CB, (T0351)D106.CB) [> 4.6306 = 7.7176 < 10.0329] w=0.0137 to align # Constraint # added constraint: constraint((T0351)Q64.CB, (T0351)L103.CB) [> 3.1786 = 5.2976 < 6.8868] w=0.0137 to align # Constraint # added constraint: constraint((T0351)Q64.CB, (T0351)L98.CB) [> 3.8265 = 6.3775 < 8.2907] w=0.0137 to align # Constraint # added constraint: constraint((T0351)V65.CB, (T0351)L98.CB) [> 3.6992 = 6.1653 < 8.0149] w=0.0137 to align # Constraint # added constraint: constraint((T0351)P39.CB, (T0351)L110.CB) [> 4.3678 = 7.2796 < 9.4635] w=0.0073 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0351/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0351/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 # choosing archetypes in rotamer library # Found a chain break before 81 # copying to AlignedFragments data structure # 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 # Found a chain break before 54 # 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 19 # 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 37 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 54 # 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 79 # 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 97 # 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 100 # 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 116 # 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 74 # 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 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 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 T0351 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: incomplete conformation T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 108 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 109 # 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 116 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 107 # 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 59 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 73 # 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 73 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 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 T0351 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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 226, because occupancy 1 <= 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 Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0351 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 # WARNING: incomplete conformation T0351 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 T0351 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 T0351 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 Skipped atom 226, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0351 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 46 # 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 77 # 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 116 # 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 104 # 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 114 # 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 # Found a chain break before 33 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # 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 111 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 109 # 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 77 # 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 51 # 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/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 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 # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 Error: Reading chain '' from PDB file servers/MIG_FROST_AL1.pdb.gz failed---no such chain. # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 55 # 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 # 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 111 # 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 115 # 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 98 # 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 103 # 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 108 # 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 T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 44 # 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 92 # 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 76 # 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 48 # 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 34 # 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 # Found a chain break before 19 # copying to AlignedFragments data structure # 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 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 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 T0351 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # 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 56 # 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 # Found a chain break before 59 # copying to AlignedFragments data structure # 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 60 # 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 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 57 # 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 115 # 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 115 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # 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 56 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 37 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 253, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0351 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 T0351 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 T0351 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 T0351 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 105 # 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 T0351 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 T0351 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 T0351 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 T0351 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 # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 56 # 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 37 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 41 # 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 91 # 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 25 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 109 # 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 15 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 57 # 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 # WARNING: incomplete conformation T0351 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 # WARNING: incomplete conformation T0351 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 111 # 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 95 # 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 109 # 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 92 # 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 114 # 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 95 # 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 68 # 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 68 # 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 68 # 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 68 # 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 WARNING: atoms too close: (T0351)A78.O and (T0351)R79.N only 0.000 apart, marking (T0351)R79.N as missing # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 WARNING: atoms too close: (T0351)A108.O and (T0351)E109.N only 0.000 apart, marking (T0351)E109.N as missing # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # 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 111 # 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 114 # 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 # Found a chain break before 116 # 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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 T0351 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: (T0351)E45.N and (T0351)L46.N only 0.000 apart, marking (T0351)L46.N as missing WARNING: atoms too close: (T0351)E45.CA and (T0351)L46.CA only 0.000 apart, marking (T0351)L46.CA as missing WARNING: atoms too close: (T0351)E45.CB and (T0351)L46.CB only 0.000 apart, marking (T0351)L46.CB as missing WARNING: atoms too close: (T0351)E45.CG and (T0351)L46.CG only 0.000 apart, marking (T0351)L46.CG as missing WARNING: atoms too close: (T0351)E45.O and (T0351)L46.O only 0.000 apart, marking (T0351)L46.O as missing WARNING: atoms too close: (T0351)E45.C and (T0351)L46.C only 0.000 apart, marking (T0351)L46.C as missing WARNING: atoms too close: (T0351)L46.N and (T0351)E47.N only 0.000 apart, marking (T0351)L46.N as missing WARNING: atoms too close: (T0351)E45.N and (T0351)E47.N only 0.000 apart, marking (T0351)E47.N as missing WARNING: atoms too close: (T0351)L46.CA and (T0351)E47.CA only 0.000 apart, marking (T0351)E47.CA as missing WARNING: atoms too close: (T0351)E45.CA and (T0351)E47.CA only 0.000 apart, marking (T0351)E47.CA as missing WARNING: atoms too close: (T0351)L46.CB and (T0351)E47.CB only 0.000 apart, marking (T0351)E47.CB as missing WARNING: atoms too close: (T0351)E45.CB and (T0351)E47.CB only 0.000 apart, marking (T0351)E47.CB as missing WARNING: atoms too close: (T0351)L46.CG and (T0351)E47.CG only 0.000 apart, marking (T0351)E47.CG as missing WARNING: atoms too close: (T0351)E45.CG and (T0351)E47.CG only 0.000 apart, marking (T0351)E47.CG as missing WARNING: atoms too close: (T0351)L46.O and (T0351)E47.O only 0.000 apart, marking (T0351)E47.O as missing WARNING: atoms too close: (T0351)E45.O and (T0351)E47.O only 0.000 apart, marking (T0351)E47.O as missing WARNING: atoms too close: (T0351)L46.C and (T0351)E47.C only 0.000 apart, marking (T0351)E47.C as missing WARNING: atoms too close: (T0351)E45.C and (T0351)E47.C only 0.000 apart, marking (T0351)E47.C as missing WARNING: atoms too close: (T0351)E47.N and (T0351)T48.N only 0.000 apart, marking (T0351)E47.N as missing WARNING: atoms too close: (T0351)L46.N and (T0351)T48.N only 0.000 apart, marking (T0351)L46.N as missing WARNING: atoms too close: (T0351)E45.N and (T0351)T48.N only 0.000 apart, marking (T0351)T48.N as missing WARNING: atoms too close: (T0351)E47.CA and (T0351)T48.CA only 0.000 apart, marking (T0351)T48.CA as missing WARNING: atoms too close: (T0351)L46.CA and (T0351)T48.CA only 0.000 apart, marking (T0351)T48.CA as missing WARNING: atoms too close: (T0351)E45.CA and (T0351)T48.CA only 0.000 apart, marking (T0351)T48.CA as missing WARNING: atoms too close: (T0351)E47.CB and (T0351)T48.CB only 0.000 apart, marking (T0351)T48.CB as missing WARNING: atoms too close: (T0351)L46.CB and (T0351)T48.CB only 0.000 apart, marking (T0351)T48.CB as missing WARNING: atoms too close: (T0351)E45.CB and (T0351)T48.CB only 0.000 apart, marking (T0351)T48.CB as missing WARNING: atoms too close: (T0351)E47.CG and (T0351)T48.CG2 only 0.000 apart, marking (T0351)T48.CG2 as missing WARNING: atoms too close: (T0351)L46.CG and (T0351)T48.CG2 only 0.000 apart, marking (T0351)T48.CG2 as missing WARNING: atoms too close: (T0351)E45.CG and (T0351)T48.CG2 only 0.000 apart, marking (T0351)T48.CG2 as missing WARNING: atoms too close: (T0351)E47.O and (T0351)T48.O only 0.000 apart, marking (T0351)T48.O as missing WARNING: atoms too close: (T0351)L46.O and (T0351)T48.O only 0.000 apart, marking (T0351)T48.O as missing WARNING: atoms too close: (T0351)E45.O and (T0351)T48.O only 0.000 apart, marking (T0351)T48.O as missing WARNING: atoms too close: (T0351)E47.C and (T0351)T48.C only 0.000 apart, marking (T0351)T48.C as missing WARNING: atoms too close: (T0351)L46.C and (T0351)T48.C only 0.000 apart, marking (T0351)T48.C as missing WARNING: atoms too close: (T0351)E45.C and (T0351)T48.C only 0.000 apart, marking (T0351)T48.C as missing WARNING: atoms too close: (T0351)T48.N and (T0351)W49.N only 0.000 apart, marking (T0351)T48.N as missing WARNING: atoms too close: (T0351)E47.N and (T0351)W49.N only 0.000 apart, marking (T0351)E47.N as missing WARNING: atoms too close: (T0351)L46.N and (T0351)W49.N only 0.000 apart, marking (T0351)L46.N as missing WARNING: atoms too close: (T0351)E45.N and (T0351)W49.N only 0.000 apart, marking (T0351)W49.N as missing WARNING: atoms too close: (T0351)T48.CA and (T0351)W49.CA only 0.000 apart, marking (T0351)W49.CA as missing WARNING: atoms too close: (T0351)E47.CA and (T0351)W49.CA only 0.000 apart, marking (T0351)W49.CA as missing WARNING: atoms too close: (T0351)L46.CA and (T0351)W49.CA only 0.000 apart, marking (T0351)W49.CA as missing WARNING: atoms too close: (T0351)E45.CA and (T0351)W49.CA only 0.000 apart, marking (T0351)W49.CA as missing WARNING: atoms too close: (T0351)T48.CB and (T0351)W49.CB only 0.000 apart, marking (T0351)W49.CB as missing WARNING: atoms too close: (T0351)E47.CB and (T0351)W49.CB only 0.000 apart, marking (T0351)W49.CB as missing WARNING: atoms too close: (T0351)L46.CB and (T0351)W49.CB only 0.000 apart, marking (T0351)W49.CB as missing WARNING: atoms too close: (T0351)E45.CB and (T0351)W49.CB only 0.000 apart, marking (T0351)W49.CB as missing WARNING: atoms too close: (T0351)T48.CG2 and (T0351)W49.CG only 0.000 apart, marking (T0351)W49.CG as missing WARNING: atoms too close: (T0351)E47.CG and (T0351)W49.CG only 0.000 apart, marking (T0351)W49.CG as missing WARNING: atoms too close: (T0351)L46.CG and (T0351)W49.CG only 0.000 apart, marking (T0351)W49.CG as missing WARNING: atoms too close: (T0351)E45.CG and (T0351)W49.CG only 0.000 apart, marking (T0351)W49.CG as missing WARNING: atoms too close: (T0351)T48.O and (T0351)W49.O only 0.000 apart, marking (T0351)W49.O as missing WARNING: atoms too close: (T0351)E47.O and (T0351)W49.O only 0.000 apart, marking (T0351)W49.O as missing WARNING: atoms too close: (T0351)L46.O and (T0351)W49.O only 0.000 apart, marking (T0351)W49.O as missing WARNING: atoms too close: (T0351)E45.O and (T0351)W49.O only 0.000 apart, marking (T0351)W49.O as missing WARNING: atoms too close: (T0351)T48.C and (T0351)W49.C only 0.000 apart, marking (T0351)W49.C as missing WARNING: atoms too close: (T0351)E47.C and (T0351)W49.C only 0.000 apart, marking (T0351)W49.C as missing WARNING: atoms too close: (T0351)L46.C and (T0351)W49.C only 0.000 apart, marking (T0351)W49.C as missing WARNING: atoms too close: (T0351)E45.C and (T0351)W49.C only 0.000 apart, marking (T0351)W49.C as missing WARNING: atoms too close: (T0351)W49.N and (T0351)Q70.N only 0.000 apart, marking (T0351)W49.N as missing WARNING: atoms too close: (T0351)T48.N and (T0351)Q70.N only 0.000 apart, marking (T0351)T48.N as missing WARNING: atoms too close: (T0351)E47.N and (T0351)Q70.N only 0.000 apart, marking (T0351)E47.N as missing WARNING: atoms too close: (T0351)L46.N and (T0351)Q70.N only 0.000 apart, marking (T0351)L46.N as missing WARNING: atoms too close: (T0351)E45.N and (T0351)Q70.N only 0.000 apart, marking (T0351)Q70.N as missing WARNING: atoms too close: (T0351)W49.CA and (T0351)Q70.CA only 0.000 apart, marking (T0351)Q70.CA as missing WARNING: atoms too close: (T0351)T48.CA and (T0351)Q70.CA only 0.000 apart, marking (T0351)Q70.CA as missing WARNING: atoms too close: (T0351)E47.CA and (T0351)Q70.CA only 0.000 apart, marking (T0351)Q70.CA as missing WARNING: atoms too close: (T0351)L46.CA and (T0351)Q70.CA only 0.000 apart, marking (T0351)Q70.CA as missing WARNING: atoms too close: (T0351)E45.CA and (T0351)Q70.CA only 0.000 apart, marking (T0351)Q70.CA as missing WARNING: atoms too close: (T0351)W49.CB and (T0351)Q70.CB only 0.000 apart, marking (T0351)Q70.CB as missing WARNING: atoms too close: (T0351)T48.CB and (T0351)Q70.CB only 0.000 apart, marking (T0351)Q70.CB as missing WARNING: atoms too close: (T0351)E47.CB and (T0351)Q70.CB only 0.000 apart, marking (T0351)Q70.CB as missing WARNING: atoms too close: (T0351)L46.CB and (T0351)Q70.CB only 0.000 apart, marking (T0351)Q70.CB as missing WARNING: atoms too close: (T0351)E45.CB and (T0351)Q70.CB only 0.000 apart, marking (T0351)Q70.CB as missing WARNING: atoms too close: (T0351)W49.CG and (T0351)Q70.CG only 0.000 apart, marking (T0351)Q70.CG as missing WARNING: atoms too close: (T0351)T48.CG2 and (T0351)Q70.CG only 0.000 apart, marking (T0351)Q70.CG as missing WARNING: atoms too close: (T0351)E47.CG and (T0351)Q70.CG only 0.000 apart, marking (T0351)Q70.CG as missing WARNING: atoms too close: (T0351)L46.CG and (T0351)Q70.CG only 0.000 apart, marking (T0351)Q70.CG as missing WARNING: atoms too close: (T0351)E45.CG and (T0351)Q70.CG only 0.000 apart, marking (T0351)Q70.CG as missing WARNING: atoms too close: (T0351)W49.O and (T0351)Q70.O only 0.000 apart, marking (T0351)Q70.O as missing WARNING: atoms too close: (T0351)T48.O and (T0351)Q70.O only 0.000 apart, marking (T0351)Q70.O as missing WARNING: atoms too close: (T0351)E47.O and (T0351)Q70.O only 0.000 apart, marking (T0351)Q70.O as missing WARNING: atoms too close: (T0351)L46.O and (T0351)Q70.O only 0.000 apart, marking (T0351)Q70.O as missing WARNING: atoms too close: (T0351)E45.O and (T0351)Q70.O only 0.000 apart, marking (T0351)Q70.O as missing WARNING: atoms too close: (T0351)W49.C and (T0351)Q70.C only 0.000 apart, marking (T0351)Q70.C as missing WARNING: atoms too close: (T0351)T48.C and (T0351)Q70.C only 0.000 apart, marking (T0351)Q70.C as missing WARNING: atoms too close: (T0351)E47.C and (T0351)Q70.C only 0.000 apart, marking (T0351)Q70.C as missing WARNING: atoms too close: (T0351)L46.C and (T0351)Q70.C only 0.000 apart, marking (T0351)Q70.C as missing WARNING: atoms too close: (T0351)E45.C and (T0351)Q70.C only 0.000 apart, marking (T0351)Q70.C as missing WARNING: atoms too close: (T0351)Q70.N and (T0351)E71.N only 0.000 apart, marking (T0351)Q70.N as missing WARNING: atoms too close: (T0351)W49.N and (T0351)E71.N only 0.000 apart, marking (T0351)W49.N as missing WARNING: atoms too close: (T0351)T48.N and (T0351)E71.N only 0.000 apart, marking (T0351)T48.N as missing WARNING: atoms too close: (T0351)E47.N and (T0351)E71.N only 0.000 apart, marking (T0351)E47.N as missing WARNING: atoms too close: (T0351)L46.N and (T0351)E71.N only 0.000 apart, marking (T0351)L46.N as missing WARNING: atoms too close: (T0351)E45.N and (T0351)E71.N only 0.000 apart, marking (T0351)E71.N as missing WARNING: atoms too close: (T0351)Q70.CA and (T0351)E71.CA only 0.000 apart, marking (T0351)E71.CA as missing WARNING: atoms too close: (T0351)W49.CA and (T0351)E71.CA only 0.000 apart, marking (T0351)E71.CA as missing WARNING: atoms too close: (T0351)T48.CA and (T0351)E71.CA only 0.000 apart, marking (T0351)E71.CA as missing WARNING: atoms too close: (T0351)E47.CA and (T0351)E71.CA only 0.000 apart, marking (T0351)E71.CA as missing WARNING: atoms too close: (T0351)L46.CA and (T0351)E71.CA only 0.000 apart, marking (T0351)E71.CA as missing WARNING: atoms too close: (T0351)E45.CA and (T0351)E71.CA only 0.000 apart, marking (T0351)E71.CA as missing WARNING: atoms too close: (T0351)Q70.CB and (T0351)E71.CB only 0.000 apart, marking (T0351)E71.CB as missing WARNING: atoms too close: (T0351)W49.CB and (T0351)E71.CB only 0.000 apart, marking (T0351)E71.CB as missing WARNING: atoms too close: (T0351)T48.CB and (T0351)E71.CB only 0.000 apart, marking (T0351)E71.CB as missing WARNING: atoms too close: (T0351)E47.CB and (T0351)E71.CB only 0.000 apart, marking (T0351)E71.CB as missing WARNING: atoms too close: (T0351)L46.CB and (T0351)E71.CB only 0.000 apart, marking (T0351)E71.CB as missing WARNING: atoms too close: (T0351)E45.CB and (T0351)E71.CB only 0.000 apart, marking (T0351)E71.CB as missing WARNING: atoms too close: (T0351)Q70.CG and (T0351)E71.CG only 0.000 apart, marking (T0351)E71.CG as missing WARNING: atoms too close: (T0351)W49.CG and (T0351)E71.CG only 0.000 apart, marking (T0351)E71.CG as missing WARNING: atoms too close: (T0351)T48.CG2 and (T0351)E71.CG only 0.000 apart, marking (T0351)E71.CG as missing WARNING: atoms too close: (T0351)E47.CG and (T0351)E71.CG only 0.000 apart, marking (T0351)E71.CG as missing WARNING: atoms too close: (T0351)L46.CG and (T0351)E71.CG only 0.000 apart, marking (T0351)E71.CG as missing WARNING: atoms too close: (T0351)E45.CG and (T0351)E71.CG only 0.000 apart, marking (T0351)E71.CG as missing WARNING: atoms too close: (T0351)Q70.O and (T0351)E71.O only 0.000 apart, marking (T0351)E71.O as missing WARNING: atoms too close: (T0351)W49.O and (T0351)E71.O only 0.000 apart, marking (T0351)E71.O as missing WARNING: atoms too close: (T0351)T48.O and (T0351)E71.O only 0.000 apart, marking (T0351)E71.O as missing WARNING: atoms too close: (T0351)E47.O and (T0351)E71.O only 0.000 apart, marking (T0351)E71.O as missing WARNING: atoms too close: (T0351)L46.O and (T0351)E71.O only 0.000 apart, marking (T0351)E71.O as missing WARNING: atoms too close: (T0351)E45.O and (T0351)E71.O only 0.000 apart, marking (T0351)E71.O as missing WARNING: atoms too close: (T0351)Q70.C and (T0351)E71.C only 0.000 apart, marking (T0351)E71.C as missing WARNING: atoms too close: (T0351)W49.C and (T0351)E71.C only 0.000 apart, marking (T0351)E71.C as missing WARNING: atoms too close: (T0351)T48.C and (T0351)E71.C only 0.000 apart, marking (T0351)E71.C as missing WARNING: atoms too close: (T0351)E47.C and (T0351)E71.C only 0.000 apart, marking (T0351)E71.C as missing WARNING: atoms too close: (T0351)L46.C and (T0351)E71.C only 0.000 apart, marking (T0351)E71.C as missing WARNING: atoms too close: (T0351)E45.C and (T0351)E71.C only 0.000 apart, marking (T0351)E71.C as missing # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0351 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 260 model score 1.9872 model score 1.9057 model score 1.9779 model score 1.9605 model score 2.2689 model score 1.6855 model score 1.7177 model score 1.6201 model score 1.6912 model score 1.7727 model score 1.6523 model score 1.7759 model score 1.6388 model score 2.2110 model score 1.4954 model score 2.1317 model score 1.6070 model score 1.7301 model score 1.7508 model score 1.4954 model score 1.5105 model score 1.5355 model score 1.7258 model score 1.5520 model score 2.2288 model score 1.7718 model score 1.7599 model score 1.7718 model score 1.7729 model score 1.7726 model score 1.7685 model score 1.7922 model score 1.7649 model score 2.1147 model score 1.5858 model score 1.5858 model score 1.9349 model score 1.6482 model score 1.3772 model score 1.5329 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.7922 model score 1.7649 model score 1.4071 model score 1.4357 model score 1.6991 model score 1.6655 model score 1.7615 model score 1.8454 model score 1.9270 model score 1.9371 model score 1.9018 model score 1.7413 model score 1.6694 model score 1.7528 model score 1.6955 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 2.3236 model score 1.7953 model score 1.8775 model score 1.9227 model score 2.1276 model score 1.8342 model score 1.8513 model score 1.8271 model score 1.9307 model score 1.9067 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.4223 model score 1.3486 model score 2.3745 model score 1.4207 model score 1.5085 model score 1.9305 model score 1.9595 model score 2.1547 model score 1.8269 model score 1.6935 model score 1.4224 model score 1.6182 model score 1.5906 model score 2.7092 model score 2.2422 model score 2.8415 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.4874 model score 1.5645 model score 1.4390 model score 1.1005 model score 1.6322 model score 1.3258 model score 1.4536 model score 1.5502 model score 1.6569 model score 1.5647 model score 1.5502 model score 1.3258 model score 1.4536 model score 1.6569 model score 1.5399 model score 1.6511 model score 1.5858 model score 1.3745 model score 1.6721 model score 1.4543 model score 1.2771 model score 1.7304 model score 1.6228 model score 1.7815 model score 1.5686 model score 1.6832 model score 1.7967 model score 1.7934 model score 1.7962 model score 1.7958 model score 1.7958 model score 1.6537 model score 1.6381 model score 1.6279 model score 1.6554 model score 1.7967 model score 1.7170 model score 1.4037 model score 1.7115 model score 1.4921 model score 1.4844 model score 1.1947 model score 1.6728 model score 1.7564 model score 1.7076 model score 1.6011 model score 1.8145 model score 1.5502 model score 1.6484 model score 1.7170 model score 1.8489 model score 1.6645 model score 2.1008 model score 2.6133 model score 2.0907 model score 1.9380 model score 1.9082 model score 1.9004 model score 2.0057 model score 1.5467 model score 1.4835 model score 2.4229 model score 1.9004 model score 2.0057 model score 1.5104 model score 1.5149 model score 2.4336 model score 1.6484 model score 1.8404 model score 1.7115 model score 1.8644 model score 1.6645 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 1.8403 model score 1.5397 model score 1.3671 model score 1.1277 model score 1.3871 model score 1.8162 model score 2.6133 model score 1.4399 model score 2.0907 model score 1.5887 model score 1.7975 model score 2.0697 model score 2.6133 model score 1.5741 model score 1.6621 model score 2.1961 model score 1.9961 model score 1.7753 model score 2.0479 model score 2.2720 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.3930 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.1141 model score 1.1071 model score 1.1036 model score 1.1933 model score 1.1286 model score 1.7387 model score 1.5229 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.8728 model score 1.4854 model score 2.0182 model score 1.6696 model score 1.9084 model score 1.7647 model score 2.1181 model score 2.0551 model score 2.2193 model score 1.9521 model score 1.3488 model score 1.5135 model score 1.3628 model score 1.5256 model score 1.4177 model score 1.7378 model score 1.7776 model score 1.9560 model score 1.7617 model score 1.9186 model score 1.2984 model score 2.0031 model score 1.7849 model score 2.0477 model score 1.9782 model score 1.5651 model score 1.3981 model score 1.3000 model score 1.5860 weight: 0.5416 eval: 1.9872 min: 1.1005 max: 2.8415 weight: 0.5837 eval: 1.9057 min: 1.1005 max: 2.8415 weight: 0.5464 eval: 1.9779 min: 1.1005 max: 2.8415 weight: 0.5554 eval: 1.9605 min: 1.1005 max: 2.8415 weight: 0.3960 eval: 2.2689 min: 1.1005 max: 2.8415 weight: 0.6976 eval: 1.6855 min: 1.1005 max: 2.8415 weight: 0.6809 eval: 1.7177 min: 1.1005 max: 2.8415 weight: 0.7314 eval: 1.6201 min: 1.1005 max: 2.8415 weight: 0.6946 eval: 1.6912 min: 1.1005 max: 2.8415 weight: 0.6525 eval: 1.7727 min: 1.1005 max: 2.8415 weight: 0.7147 eval: 1.6523 min: 1.1005 max: 2.8415 weight: 0.6508 eval: 1.7759 min: 1.1005 max: 2.8415 weight: 0.7217 eval: 1.6388 min: 1.1005 max: 2.8415 weight: 0.4259 eval: 2.2110 min: 1.1005 max: 2.8415 weight: 0.7958 eval: 1.4954 min: 1.1005 max: 2.8415 weight: 0.4669 eval: 2.1317 min: 1.1005 max: 2.8415 weight: 0.7382 eval: 1.6070 min: 1.1005 max: 2.8415 weight: 0.6745 eval: 1.7301 min: 1.1005 max: 2.8415 weight: 0.6638 eval: 1.7508 min: 1.1005 max: 2.8415 weight: 0.7958 eval: 1.4954 min: 1.1005 max: 2.8415 weight: 0.7880 eval: 1.5105 min: 1.1005 max: 2.8415 weight: 0.7751 eval: 1.5355 min: 1.1005 max: 2.8415 weight: 0.6767 eval: 1.7258 min: 1.1005 max: 2.8415 weight: 0.7666 eval: 1.5520 min: 1.1005 max: 2.8415 weight: 0.4167 eval: 2.2288 min: 1.1005 max: 2.8415 weight: 0.6529 eval: 1.7718 min: 1.1005 max: 2.8415 weight: 0.6591 eval: 1.7599 min: 1.1005 max: 2.8415 weight: 0.6529 eval: 1.7718 min: 1.1005 max: 2.8415 weight: 0.6524 eval: 1.7729 min: 1.1005 max: 2.8415 weight: 0.6526 eval: 1.7726 min: 1.1005 max: 2.8415 weight: 0.6547 eval: 1.7685 min: 1.1005 max: 2.8415 weight: 0.6424 eval: 1.7922 min: 1.1005 max: 2.8415 weight: 0.6565 eval: 1.7649 min: 1.1005 max: 2.8415 weight: 0.4757 eval: 2.1147 min: 1.1005 max: 2.8415 weight: 0.7491 eval: 1.5858 min: 1.1005 max: 2.8415 weight: 0.7491 eval: 1.5858 min: 1.1005 max: 2.8415 weight: 0.5686 eval: 1.9349 min: 1.1005 max: 2.8415 weight: 0.7168 eval: 1.6482 min: 1.1005 max: 2.8415 weight: 0.8570 eval: 1.3772 min: 1.1005 max: 2.8415 weight: 0.7764 eval: 1.5329 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.6424 eval: 1.7922 min: 1.1005 max: 2.8415 weight: 0.6565 eval: 1.7649 min: 1.1005 max: 2.8415 weight: 0.8415 eval: 1.4071 min: 1.1005 max: 2.8415 weight: 0.8267 eval: 1.4357 min: 1.1005 max: 2.8415 weight: 0.6906 eval: 1.6991 min: 1.1005 max: 2.8415 weight: 0.7079 eval: 1.6655 min: 1.1005 max: 2.8415 weight: 0.6583 eval: 1.7615 min: 1.1005 max: 2.8415 weight: 0.6149 eval: 1.8454 min: 1.1005 max: 2.8415 weight: 0.5727 eval: 1.9270 min: 1.1005 max: 2.8415 weight: 0.5675 eval: 1.9371 min: 1.1005 max: 2.8415 weight: 0.5858 eval: 1.9018 min: 1.1005 max: 2.8415 weight: 0.6687 eval: 1.7413 min: 1.1005 max: 2.8415 weight: 0.7059 eval: 1.6694 min: 1.1005 max: 2.8415 weight: 0.6628 eval: 1.7528 min: 1.1005 max: 2.8415 weight: 0.6924 eval: 1.6955 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.3677 eval: 2.3236 min: 1.1005 max: 2.8415 weight: 0.6408 eval: 1.7953 min: 1.1005 max: 2.8415 weight: 0.5983 eval: 1.8775 min: 1.1005 max: 2.8415 weight: 0.5749 eval: 1.9227 min: 1.1005 max: 2.8415 weight: 0.4691 eval: 2.1276 min: 1.1005 max: 2.8415 weight: 0.6207 eval: 1.8342 min: 1.1005 max: 2.8415 weight: 0.6119 eval: 1.8513 min: 1.1005 max: 2.8415 weight: 0.6243 eval: 1.8271 min: 1.1005 max: 2.8415 weight: 0.5708 eval: 1.9307 min: 1.1005 max: 2.8415 weight: 0.5832 eval: 1.9067 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.3167 eval: 2.4223 min: 1.1005 max: 2.8415 weight: 0.8717 eval: 1.3486 min: 1.1005 max: 2.8415 weight: 0.3414 eval: 2.3745 min: 1.1005 max: 2.8415 weight: 0.8345 eval: 1.4207 min: 1.1005 max: 2.8415 weight: 0.7891 eval: 1.5085 min: 1.1005 max: 2.8415 weight: 0.5709 eval: 1.9305 min: 1.1005 max: 2.8415 weight: 0.5559 eval: 1.9595 min: 1.1005 max: 2.8415 weight: 0.4550 eval: 2.1547 min: 1.1005 max: 2.8415 weight: 0.6245 eval: 1.8269 min: 1.1005 max: 2.8415 weight: 0.6934 eval: 1.6935 min: 1.1005 max: 2.8415 weight: 0.8336 eval: 1.4224 min: 1.1005 max: 2.8415 weight: 0.7323 eval: 1.6182 min: 1.1005 max: 2.8415 weight: 0.7466 eval: 1.5906 min: 1.1005 max: 2.8415 weight: 0.1684 eval: 2.7092 min: 1.1005 max: 2.8415 weight: 0.4098 eval: 2.2422 min: 1.1005 max: 2.8415 weight: 0.1000 eval: 2.8415 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.8000 eval: 1.4874 min: 1.1005 max: 2.8415 weight: 0.7601 eval: 1.5645 min: 1.1005 max: 2.8415 weight: 0.8250 eval: 1.4390 min: 1.1005 max: 2.8415 weight: 1.0000 eval: 1.1005 min: 1.1005 max: 2.8415 weight: 0.7251 eval: 1.6322 min: 1.1005 max: 2.8415 weight: 0.8835 eval: 1.3258 min: 1.1005 max: 2.8415 weight: 0.8174 eval: 1.4536 min: 1.1005 max: 2.8415 weight: 0.7675 eval: 1.5502 min: 1.1005 max: 2.8415 weight: 0.7124 eval: 1.6569 min: 1.1005 max: 2.8415 weight: 0.7600 eval: 1.5647 min: 1.1005 max: 2.8415 weight: 0.7675 eval: 1.5502 min: 1.1005 max: 2.8415 weight: 0.8835 eval: 1.3258 min: 1.1005 max: 2.8415 weight: 0.8174 eval: 1.4536 min: 1.1005 max: 2.8415 weight: 0.7124 eval: 1.6569 min: 1.1005 max: 2.8415 weight: 0.7728 eval: 1.5399 min: 1.1005 max: 2.8415 weight: 0.7153 eval: 1.6511 min: 1.1005 max: 2.8415 weight: 0.7491 eval: 1.5858 min: 1.1005 max: 2.8415 weight: 0.8583 eval: 1.3745 min: 1.1005 max: 2.8415 weight: 0.7045 eval: 1.6721 min: 1.1005 max: 2.8415 weight: 0.8171 eval: 1.4543 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.6743 eval: 1.7304 min: 1.1005 max: 2.8415 weight: 0.7300 eval: 1.6228 min: 1.1005 max: 2.8415 weight: 0.6479 eval: 1.7815 min: 1.1005 max: 2.8415 weight: 0.7580 eval: 1.5686 min: 1.1005 max: 2.8415 weight: 0.6987 eval: 1.6832 min: 1.1005 max: 2.8415 weight: 0.6401 eval: 1.7967 min: 1.1005 max: 2.8415 weight: 0.6418 eval: 1.7934 min: 1.1005 max: 2.8415 weight: 0.6404 eval: 1.7962 min: 1.1005 max: 2.8415 weight: 0.6405 eval: 1.7958 min: 1.1005 max: 2.8415 weight: 0.6405 eval: 1.7958 min: 1.1005 max: 2.8415 weight: 0.7140 eval: 1.6537 min: 1.1005 max: 2.8415 weight: 0.7221 eval: 1.6381 min: 1.1005 max: 2.8415 weight: 0.7274 eval: 1.6279 min: 1.1005 max: 2.8415 weight: 0.7131 eval: 1.6554 min: 1.1005 max: 2.8415 weight: 0.6401 eval: 1.7967 min: 1.1005 max: 2.8415 weight: 0.6813 eval: 1.7170 min: 1.1005 max: 2.8415 weight: 0.8432 eval: 1.4037 min: 1.1005 max: 2.8415 weight: 0.6841 eval: 1.7115 min: 1.1005 max: 2.8415 weight: 0.7975 eval: 1.4921 min: 1.1005 max: 2.8415 weight: 0.8015 eval: 1.4844 min: 1.1005 max: 2.8415 weight: 0.9513 eval: 1.1947 min: 1.1005 max: 2.8415 weight: 0.7041 eval: 1.6728 min: 1.1005 max: 2.8415 weight: 0.6609 eval: 1.7564 min: 1.1005 max: 2.8415 weight: 0.6862 eval: 1.7076 min: 1.1005 max: 2.8415 weight: 0.7412 eval: 1.6011 min: 1.1005 max: 2.8415 weight: 0.6309 eval: 1.8145 min: 1.1005 max: 2.8415 weight: 0.7675 eval: 1.5502 min: 1.1005 max: 2.8415 weight: 0.7168 eval: 1.6484 min: 1.1005 max: 2.8415 weight: 0.6813 eval: 1.7170 min: 1.1005 max: 2.8415 weight: 0.6131 eval: 1.8489 min: 1.1005 max: 2.8415 weight: 0.7084 eval: 1.6645 min: 1.1005 max: 2.8415 weight: 0.4829 eval: 2.1008 min: 1.1005 max: 2.8415 weight: 0.2179 eval: 2.6133 min: 1.1005 max: 2.8415 weight: 0.4881 eval: 2.0907 min: 1.1005 max: 2.8415 weight: 0.5670 eval: 1.9380 min: 1.1005 max: 2.8415 weight: 0.5824 eval: 1.9082 min: 1.1005 max: 2.8415 weight: 0.5865 eval: 1.9004 min: 1.1005 max: 2.8415 weight: 0.5320 eval: 2.0057 min: 1.1005 max: 2.8415 weight: 0.7693 eval: 1.5467 min: 1.1005 max: 2.8415 weight: 0.8020 eval: 1.4835 min: 1.1005 max: 2.8415 weight: 0.3164 eval: 2.4229 min: 1.1005 max: 2.8415 weight: 0.5865 eval: 1.9004 min: 1.1005 max: 2.8415 weight: 0.5320 eval: 2.0057 min: 1.1005 max: 2.8415 weight: 0.7881 eval: 1.5104 min: 1.1005 max: 2.8415 weight: 0.7857 eval: 1.5149 min: 1.1005 max: 2.8415 weight: 0.3108 eval: 2.4336 min: 1.1005 max: 2.8415 weight: 0.7168 eval: 1.6484 min: 1.1005 max: 2.8415 weight: 0.6175 eval: 1.8404 min: 1.1005 max: 2.8415 weight: 0.6841 eval: 1.7115 min: 1.1005 max: 2.8415 weight: 0.6051 eval: 1.8644 min: 1.1005 max: 2.8415 weight: 0.7084 eval: 1.6645 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.6176 eval: 1.8403 min: 1.1005 max: 2.8415 weight: 0.7729 eval: 1.5397 min: 1.1005 max: 2.8415 weight: 0.8622 eval: 1.3671 min: 1.1005 max: 2.8415 weight: 0.9859 eval: 1.1277 min: 1.1005 max: 2.8415 weight: 0.8518 eval: 1.3871 min: 1.1005 max: 2.8415 weight: 0.6300 eval: 1.8162 min: 1.1005 max: 2.8415 weight: 0.2179 eval: 2.6133 min: 1.1005 max: 2.8415 weight: 0.8245 eval: 1.4399 min: 1.1005 max: 2.8415 weight: 0.4881 eval: 2.0907 min: 1.1005 max: 2.8415 weight: 0.7476 eval: 1.5887 min: 1.1005 max: 2.8415 weight: 0.6397 eval: 1.7975 min: 1.1005 max: 2.8415 weight: 0.4990 eval: 2.0697 min: 1.1005 max: 2.8415 weight: 0.2179 eval: 2.6133 min: 1.1005 max: 2.8415 weight: 0.7552 eval: 1.5741 min: 1.1005 max: 2.8415 weight: 0.7096 eval: 1.6621 min: 1.1005 max: 2.8415 weight: 0.4336 eval: 2.1961 min: 1.1005 max: 2.8415 weight: 0.5370 eval: 1.9961 min: 1.1005 max: 2.8415 weight: 0.6512 eval: 1.7753 min: 1.1005 max: 2.8415 weight: 0.5102 eval: 2.0479 min: 1.1005 max: 2.8415 weight: 0.3944 eval: 2.2720 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.8488 eval: 1.3930 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9930 eval: 1.1141 min: 1.1005 max: 2.8415 weight: 0.9966 eval: 1.1071 min: 1.1005 max: 2.8415 weight: 0.9984 eval: 1.1036 min: 1.1005 max: 2.8415 weight: 0.9520 eval: 1.1933 min: 1.1005 max: 2.8415 weight: 0.9855 eval: 1.1286 min: 1.1005 max: 2.8415 weight: 0.6701 eval: 1.7387 min: 1.1005 max: 2.8415 weight: 0.7816 eval: 1.5229 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.9087 eval: 1.2771 min: 1.1005 max: 2.8415 weight: 0.6008 eval: 1.8728 min: 1.1005 max: 2.8415 weight: 0.8010 eval: 1.4854 min: 1.1005 max: 2.8415 weight: 0.5256 eval: 2.0182 min: 1.1005 max: 2.8415 weight: 0.7058 eval: 1.6696 min: 1.1005 max: 2.8415 weight: 0.5824 eval: 1.9084 min: 1.1005 max: 2.8415 weight: 0.6567 eval: 1.7647 min: 1.1005 max: 2.8415 weight: 0.4739 eval: 2.1181 min: 1.1005 max: 2.8415 weight: 0.5065 eval: 2.0551 min: 1.1005 max: 2.8415 weight: 0.4216 eval: 2.2193 min: 1.1005 max: 2.8415 weight: 0.5598 eval: 1.9521 min: 1.1005 max: 2.8415 weight: 0.8716 eval: 1.3488 min: 1.1005 max: 2.8415 weight: 0.7865 eval: 1.5135 min: 1.1005 max: 2.8415 weight: 0.8644 eval: 1.3628 min: 1.1005 max: 2.8415 weight: 0.7802 eval: 1.5256 min: 1.1005 max: 2.8415 weight: 0.8360 eval: 1.4177 min: 1.1005 max: 2.8415 weight: 0.6706 eval: 1.7378 min: 1.1005 max: 2.8415 weight: 0.6500 eval: 1.7776 min: 1.1005 max: 2.8415 weight: 0.5577 eval: 1.9560 min: 1.1005 max: 2.8415 weight: 0.6582 eval: 1.7617 min: 1.1005 max: 2.8415 weight: 0.5771 eval: 1.9186 min: 1.1005 max: 2.8415 weight: 0.8977 eval: 1.2984 min: 1.1005 max: 2.8415 weight: 0.5334 eval: 2.0031 min: 1.1005 max: 2.8415 weight: 0.6462 eval: 1.7849 min: 1.1005 max: 2.8415 weight: 0.5103 eval: 2.0477 min: 1.1005 max: 2.8415 weight: 0.5463 eval: 1.9782 min: 1.1005 max: 2.8415 weight: 0.7598 eval: 1.5651 min: 1.1005 max: 2.8415 weight: 0.8462 eval: 1.3981 min: 1.1005 max: 2.8415 weight: 0.8968 eval: 1.3000 min: 1.1005 max: 2.8415 weight: 0.7490 eval: 1.5860 min: 1.1005 max: 2.8415 Adding 4883 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: -187.3636, CN propb: -187.3636 weights: 0.2771 constraints: 168 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 168 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 168 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 4715 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 4715 # 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 4883 # command: