# 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/T0327/ # command:# Making conformation for sequence T0327 numbered 1 through 102 Created new target T0327 from T0327.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0327/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0327//projects/compbio/experiments/protein-predict/casp7/T0327/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0327//projects/compbio/experiments/protein-predict/casp7/T0327/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0327/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0327/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((T0327)V37.CB, (T0327)I46.CB) [> 3.8872 = 6.4786 < 8.4222] w=1.0000 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)Y59.CB) [> 3.5982 = 5.9969 < 7.7960] w=0.8145 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)L65.CB) [> 3.9784 = 6.6307 < 8.6199] w=0.7396 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)T66.CB) [> 3.4226 = 5.7043 < 7.4156] w=0.7206 to align # Constraint # added constraint: constraint((T0327)G44.CA, (T0327)T66.CB) [> 3.4424 = 5.7373 < 7.4585] w=0.7206 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)L58.CB) [> 3.6531 = 6.0884 < 7.9150] w=0.7150 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)G69.CA) [> 2.5601 = 4.2668 < 5.5468] w=0.7018 to align # Constraint # added constraint: constraint((T0327)L6.CB, (T0327)A36.CB) [> 3.4400 = 5.7334 < 7.4534] w=0.6974 to align # Constraint # added constraint: constraint((T0327)L11.CB, (T0327)L40.CB) [> 4.2632 = 7.1053 < 9.2368] w=0.6868 to align # Constraint # added constraint: constraint((T0327)I10.CB, (T0327)L40.CB) [> 4.0639 = 6.7732 < 8.8051] w=0.6862 to align # Constraint # added constraint: constraint((T0327)I10.CB, (T0327)A36.CB) [> 3.4983 = 5.8305 < 7.5797] w=0.6681 to align # Constraint # added constraint: constraint((T0327)L11.CB, (T0327)Y45.CB) [> 3.9489 = 6.5815 < 8.5560] w=0.6491 to align # Constraint # added constraint: constraint((T0327)I10.CB, (T0327)V37.CB) [> 4.2253 = 7.0422 < 9.1548] w=0.6491 to align # Constraint # added constraint: constraint((T0327)I46.CB, (T0327)T66.CB) [> 3.8748 = 6.4579 < 8.3953] w=0.6468 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)K68.CB) [> 3.5817 = 5.9695 < 7.7603] w=0.6450 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)T66.CB) [> 3.4537 = 5.7561 < 7.4830] w=0.6277 to align # Constraint # added constraint: constraint((T0327)A9.CB, (T0327)I26.CB) [> 3.5770 = 5.9616 < 7.7502] w=0.6110 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)Y72.CB) [> 3.6592 = 6.0987 < 7.9283] w=0.6070 to align # Constraint # added constraint: constraint((T0327)L6.CB, (T0327)V28.CB) [> 3.7689 = 6.2815 < 8.1660] w=0.5921 to align # Constraint # added constraint: constraint((T0327)I46.CB, (T0327)L65.CB) [> 3.7231 = 6.2052 < 8.0668] w=0.5879 to align # Constraint # added constraint: constraint((T0327)I10.CB, (T0327)F33.CB) [> 4.2740 = 7.1233 < 9.2603] w=0.5872 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)Y59.CB) [> 3.3641 = 5.6069 < 7.2889] w=0.5819 to align # Constraint # added constraint: constraint((T0327)R7.CB, (T0327)A36.CB) [> 3.3425 = 5.5708 < 7.2421] w=0.5734 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)L58.CB) [> 4.0462 = 6.7437 < 8.7668] w=0.5629 to align # Constraint # added constraint: constraint((T0327)I46.CB, (T0327)G69.CA) [> 4.2771 = 7.1285 < 9.2671] w=0.5502 to align # Constraint # added constraint: constraint((T0327)R7.CB, (T0327)F39.CB) [> 4.1803 = 6.9672 < 9.0573] w=0.5354 to align # Constraint # added constraint: constraint((T0327)I10.CB, (T0327)I26.CB) [> 3.8582 = 6.4303 < 8.3594] w=0.5161 to align # Constraint # added constraint: constraint((T0327)I14.CB, (T0327)I46.CB) [> 4.0780 = 6.7966 < 8.8356] w=0.5116 to align # Constraint # added constraint: constraint((T0327)L6.CB, (T0327)F33.CB) [> 4.0638 = 6.7730 < 8.8049] w=0.4584 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)E64.CB) [> 3.8730 = 6.4550 < 8.3915] w=0.4362 to align # Constraint # added constraint: constraint((T0327)F15.CB, (T0327)L65.CB) [> 3.8191 = 6.3652 < 8.2747] w=0.4362 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)K60.CB) [> 4.0418 = 6.7363 < 8.7571] w=0.4215 to align # Constraint # added constraint: constraint((T0327)L6.CB, (T0327)Q32.CB) [> 3.9348 = 6.5579 < 8.5253] w=0.4207 to align # Constraint # added constraint: constraint((T0327)I46.CB, (T0327)E64.CB) [> 4.0008 = 6.6680 < 8.6684] w=0.4192 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)E64.CB) [> 3.0732 = 5.1220 < 6.6586] w=0.4173 to align # Constraint # added constraint: constraint((T0327)V37.CB, (T0327)G48.CA) [> 4.4075 = 7.3458 < 9.5496] w=0.4121 to align # Constraint # added constraint: constraint((T0327)H50.CB, (T0327)Y59.CB) [> 4.2613 = 7.1022 < 9.2329] w=0.3992 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)L65.CB) [> 4.3936 = 7.3226 < 9.5194] w=0.3983 to align # Constraint # added constraint: constraint((T0327)L6.CB, (T0327)I26.CB) [> 3.7564 = 6.2606 < 8.1388] w=0.3957 to align # Constraint # added constraint: constraint((T0327)F15.CB, (T0327)L73.CB) [> 3.2169 = 5.3615 < 6.9699] w=0.3794 to align # Constraint # added constraint: constraint((T0327)I14.CB, (T0327)L65.CB) [> 2.9604 = 4.9340 < 6.4142] w=0.3794 to align # Constraint # added constraint: constraint((T0327)L11.CB, (T0327)L73.CB) [> 3.0195 = 5.0326 < 6.5423] w=0.3794 to align # Constraint # added constraint: constraint((T0327)E13.CB, (T0327)I26.CB) [> 4.0565 = 6.7609 < 8.7891] w=0.3789 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)Y59.CB) [> 3.9767 = 6.6279 < 8.6162] w=0.3767 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)E64.CB) [> 4.0732 = 6.7887 < 8.8253] w=0.3605 to align # Constraint # added constraint: constraint((T0327)Y8.CB, (T0327)N76.CB) [> 3.9233 = 6.5388 < 8.5004] w=0.3604 to align # Constraint # added constraint: constraint((T0327)I46.CB, (T0327)K60.CB) [> 4.0562 = 6.7604 < 8.7885] w=0.3578 to align # Constraint # added constraint: constraint((T0327)K12.CB, (T0327)L73.CB) [> 4.0309 = 6.7181 < 8.7336] w=0.3414 to align # Constraint # added constraint: constraint((T0327)I10.CB, (T0327)I46.CB) [> 4.5237 = 7.5396 < 9.8014] w=0.3406 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)H57.CB) [> 3.6551 = 6.0918 < 7.9193] w=0.3219 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)L61.CB) [> 4.2079 = 7.0132 < 9.1172] w=0.3195 to align # Constraint # added constraint: constraint((T0327)I46.CB, (T0327)Y59.CB) [> 3.6059 = 6.0098 < 7.8127] w=0.3009 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)L73.CB) [> 4.5197 = 7.5328 < 9.7927] w=0.2846 to align # Constraint # added constraint: constraint((T0327)L11.CB, (T0327)N76.CB) [> 4.0917 = 6.8196 < 8.8654] w=0.2655 to align # Constraint # added constraint: constraint((T0327)A9.CB, (T0327)V28.CB) [> 4.4409 = 7.4015 < 9.6220] w=0.2652 to align # Constraint # added constraint: constraint((T0327)E13.CB, (T0327)D25.CB) [> 3.8469 = 6.4115 < 8.3350] w=0.2650 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)G62.CA) [> 3.8920 = 6.4867 < 8.4328] w=0.2628 to align # Constraint # added constraint: constraint((T0327)I10.CB, (T0327)V28.CB) [> 3.6957 = 6.1595 < 8.0074] w=0.2462 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)G62.CA) [> 3.5793 = 5.9655 < 7.7551] w=0.2151 to align # Constraint # added constraint: constraint((T0327)V37.CB, (T0327)Y59.CB) [> 3.8275 = 6.3791 < 8.2928] w=0.2132 to align # Constraint # added constraint: constraint((T0327)I14.CB, (T0327)L61.CB) [> 3.5082 = 5.8470 < 7.6010] w=0.2131 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)P63.CB) [> 3.3202 = 5.5336 < 7.1937] w=0.2104 to align # Constraint # added constraint: constraint((T0327)I14.CB, (T0327)E64.CB) [> 4.0215 = 6.7025 < 8.7133] w=0.2087 to align # Constraint # added constraint: constraint((T0327)D4.CB, (T0327)A36.CB) [> 4.3307 = 7.2179 < 9.3832] w=0.2084 to align # Constraint # added constraint: constraint((T0327)I46.CB, (T0327)L58.CB) [> 3.6285 = 6.0475 < 7.8618] w=0.2014 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)L61.CB) [> 4.1236 = 6.8726 < 8.9344] w=0.2013 to align # Constraint # added constraint: constraint((T0327)N18.CB, (T0327)E64.CB) [> 3.3413 = 5.5688 < 7.2394] w=0.1898 to align # Constraint # added constraint: constraint((T0327)Y8.CB, (T0327)L73.CB) [> 3.9756 = 6.6259 < 8.6137] w=0.1897 to align # Constraint # added constraint: constraint((T0327)I14.CB, (T0327)Y59.CB) [> 3.9631 = 6.6052 < 8.5868] w=0.1893 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)L58.CB) [> 4.4225 = 7.3708 < 9.5821] w=0.1825 to align # Constraint # added constraint: constraint((T0327)Y8.CB, (T0327)S80.CB) [> 4.2370 = 7.0616 < 9.1801] w=0.1707 to align # Constraint # added constraint: constraint((T0327)I14.CB, (T0327)L58.CB) [> 3.7420 = 6.2366 < 8.1076] w=0.1704 to align # Constraint # added constraint: constraint((T0327)F15.CB, (T0327)L61.CB) [> 3.7852 = 6.3086 < 8.2011] w=0.1703 to align # Constraint # added constraint: constraint((T0327)G17.CA, (T0327)E64.CB) [> 4.1665 = 6.9442 < 9.0274] w=0.1518 to align # Constraint # added constraint: constraint((T0327)E43.CB, (T0327)G69.CA) [> 4.7341 = 7.8901 < 10.2572] w=0.1494 to align # Constraint # added constraint: constraint((T0327)L21.CB, (T0327)P56.CB) [> 4.1034 = 6.8390 < 8.8907] w=0.1374 to align # Constraint # added constraint: constraint((T0327)R7.CB, (T0327)V28.CB) [> 3.6926 = 6.1544 < 8.0007] w=0.1328 to align # Constraint # added constraint: constraint((T0327)L6.CB, (T0327)V37.CB) [> 4.3915 = 7.3192 < 9.5150] w=0.1257 to align # Constraint # added constraint: constraint((T0327)L21.CB, (T0327)H57.CB) [> 3.2942 = 5.4903 < 7.1374] w=0.1255 to align # Constraint # added constraint: constraint((T0327)V37.CB, (T0327)I47.CB) [> 3.9926 = 6.6543 < 8.6506] w=0.1187 to align # Constraint # added constraint: constraint((T0327)L40.CB, (T0327)G69.CA) [> 4.6539 = 7.7565 < 10.0834] w=0.1158 to align # Constraint # added constraint: constraint((T0327)I14.CB, (T0327)L73.CB) [> 4.0573 = 6.7622 < 8.7909] w=0.1137 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)E64.CB) [> 3.1115 = 5.1858 < 6.7415] w=0.1137 to align # Constraint # added constraint: constraint((T0327)G44.CA, (T0327)E64.CB) [> 2.8163 = 4.6939 < 6.1021] w=0.1137 to align # Constraint # added constraint: constraint((T0327)K5.CB, (T0327)I26.CB) [> 3.9036 = 6.5060 < 8.4578] w=0.1113 to align # Constraint # added constraint: constraint((T0327)K41.CB, (T0327)Y59.CB) [> 4.6355 = 7.7258 < 10.0436] w=0.0996 to align # Constraint # added constraint: constraint((T0327)L6.CB, (T0327)L40.CB) [> 3.8646 = 6.4411 < 8.3734] w=0.0876 to align # Constraint # added constraint: constraint((T0327)L73.CB, (T0327)T85.CB) [> 4.3315 = 7.2191 < 9.3848] w=0.0803 to align # Constraint # added constraint: constraint((T0327)F15.CB, (T0327)K74.CB) [> 4.1585 = 6.9309 < 9.0102] w=0.0759 to align # Constraint # added constraint: constraint((T0327)Y8.CB, (T0327)Y83.CB) [> 4.1152 = 6.8586 < 8.9162] w=0.0759 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)L61.CB) [> 3.6432 = 6.0721 < 7.8937] w=0.0757 to align # Constraint # added constraint: constraint((T0327)R7.CB, (T0327)Q32.CB) [> 3.9313 = 6.5521 < 8.5178] w=0.0756 to align # Constraint # added constraint: constraint((T0327)F15.CB, (T0327)I86.CB) [> 3.7935 = 6.3225 < 8.2193] w=0.0754 to align # Constraint # added constraint: constraint((T0327)K41.CB, (T0327)W79.CB) [> 3.4420 = 5.7367 < 7.4577] w=0.0753 to align # Constraint # added constraint: constraint((T0327)N38.CB, (T0327)W79.CB) [> 2.9360 = 4.8934 < 6.3614] w=0.0753 to align # Constraint # added constraint: constraint((T0327)D34.CB, (T0327)Y83.CB) [> 3.8516 = 6.4194 < 8.3452] w=0.0753 to align # Constraint # added constraint: constraint((T0327)F33.CB, (T0327)Y83.CB) [> 4.1879 = 6.9798 < 9.0737] w=0.0753 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)N76.CB) [> 3.5997 = 5.9995 < 7.7994] w=0.0753 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)A82.CB) [> 2.8876 = 4.8126 < 6.2564] w=0.0753 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)A82.CB) [> 4.5496 = 7.5826 < 9.8574] w=0.0753 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)T85.CB) [> 4.7749 = 7.9581 < 10.3456] w=0.0753 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)T85.CB) [> 3.3639 = 5.6065 < 7.2884] w=0.0753 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)I86.CB) [> 3.9456 = 6.5761 < 8.5489] w=0.0753 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)I89.CB) [> 3.3654 = 5.6090 < 7.2918] w=0.0753 to align # Constraint # added constraint: constraint((T0327)Y51.CB, (T0327)I89.CB) [> 3.5026 = 5.8377 < 7.5890] w=0.0753 to align # Constraint # added constraint: constraint((T0327)A9.CB, (T0327)A36.CB) [> 4.2423 = 7.0704 < 9.1916] w=0.0750 to align # Constraint # added constraint: constraint((T0327)D25.CB, (T0327)K84.CB) [> 4.5117 = 7.5194 < 9.7753] w=0.0570 to align # Constraint # added constraint: constraint((T0327)T19.CB, (T0327)E64.CB) [> 4.1795 = 6.9659 < 9.0556] w=0.0569 to align # Constraint # added constraint: constraint((T0327)D4.CB, (T0327)F39.CB) [> 4.0865 = 6.8108 < 8.8541] w=0.0569 to align # Constraint # added constraint: constraint((T0327)H50.CB, (T0327)G62.CA) [> 3.2985 = 5.4976 < 7.1469] w=0.0568 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)L61.CB) [> 3.7579 = 6.2632 < 8.1422] w=0.0568 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)A82.CB) [> 3.9166 = 6.5277 < 8.4860] w=0.0566 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)K81.CB) [> 4.4023 = 7.3371 < 9.5383] w=0.0566 to align # Constraint # added constraint: constraint((T0327)Y45.CB, (T0327)T85.CB) [> 3.1576 = 5.2626 < 6.8414] w=0.0565 to align # Constraint # added constraint: constraint((T0327)N18.CB, (T0327)H57.CB) [> 3.0773 = 5.1289 < 6.6676] w=0.0562 to align # Constraint # added constraint: constraint((T0327)T29.CB, (T0327)Y51.CB) [> 3.8889 = 6.4815 < 8.4260] w=0.0546 to align # Constraint # added constraint: constraint((T0327)T29.CB, (T0327)H57.CB) [> 2.6235 = 4.3726 < 5.6843] w=0.0546 to align # Constraint # added constraint: constraint((T0327)D34.CB, (T0327)V49.CB) [> 4.3083 = 7.1805 < 9.3347] w=0.0546 to align # Constraint # added constraint: constraint((T0327)L21.CB, (T0327)L58.CB) [> 3.0302 = 5.0504 < 6.5655] w=0.0497 to align # Constraint # added constraint: constraint((T0327)G48.CA, (T0327)Y72.CB) [> 4.6521 = 7.7535 < 10.0796] w=0.0396 to align # Constraint # added constraint: constraint((T0327)K12.CB, (T0327)K81.CB) [> 4.7553 = 7.9255 < 10.3032] w=0.0380 to align # Constraint # added constraint: constraint((T0327)L40.CB, (T0327)Y59.CB) [> 4.7957 = 7.9927 < 10.3906] w=0.0380 to align # Constraint # added constraint: constraint((T0327)L21.CB, (T0327)F33.CB) [> 4.3785 = 7.2975 < 9.4868] w=0.0380 to align # Constraint # added constraint: constraint((T0327)F15.CB, (T0327)F33.CB) [> 4.4530 = 7.4217 < 9.6482] w=0.0379 to align # Constraint # added constraint: constraint((T0327)E16.CB, (T0327)V28.CB) [> 4.4473 = 7.4121 < 9.6358] w=0.0379 to align # Constraint # added constraint: constraint((T0327)E13.CB, (T0327)L58.CB) [> 4.6018 = 7.6697 < 9.9706] w=0.0379 to align # Constraint # added constraint: constraint((T0327)S52.CB, (T0327)E64.CB) [> 3.2245 = 5.3741 < 6.9864] w=0.0379 to align # Constraint # added constraint: constraint((T0327)Y51.CB, (T0327)E64.CB) [> 4.3824 = 7.3039 < 9.4951] w=0.0379 to align # Constraint # added constraint: constraint((T0327)H50.CB, (T0327)L61.CB) [> 4.0050 = 6.6750 < 8.6775] w=0.0378 to align # Constraint # added constraint: constraint((T0327)Y8.CB, (T0327)I89.CB) [> 4.5925 = 7.6542 < 9.9504] w=0.0378 to align # Constraint # added constraint: constraint((T0327)L11.CB, (T0327)A82.CB) [> 3.5828 = 5.9714 < 7.7628] w=0.0378 to align # Constraint # added constraint: constraint((T0327)L11.CB, (T0327)I86.CB) [> 4.7522 = 7.9203 < 10.2964] w=0.0378 to align # Constraint # added constraint: constraint((T0327)F33.CB, (T0327)I86.CB) [> 4.5855 = 7.6425 < 9.9353] w=0.0377 to align # Constraint # added constraint: constraint((T0327)E30.CB, (T0327)Y83.CB) [> 4.2667 = 7.1112 < 9.2446] w=0.0377 to align # Constraint # added constraint: constraint((T0327)V49.CB, (T0327)Y72.CB) [> 4.0922 = 6.8203 < 8.8664] w=0.0377 to align # Constraint # added constraint: constraint((T0327)L40.CB, (T0327)A82.CB) [> 4.7908 = 7.9847 < 10.3801] w=0.0377 to align # Constraint # added constraint: constraint((T0327)L61.CB, (T0327)T85.CB) [> 3.7026 = 6.1710 < 8.0223] w=0.0377 to align # Constraint # added constraint: constraint((T0327)K12.CB, (T0327)I89.CB) [> 3.8503 = 6.4172 < 8.3423] w=0.0377 to align # Constraint # added constraint: constraint((T0327)L11.CB, (T0327)I89.CB) [> 4.0439 = 6.7398 < 8.7618] w=0.0377 to align # Constraint # added constraint: constraint((T0327)I47.CB, (T0327)Y72.CB) [> 2.8945 = 4.8242 < 6.2715] w=0.0207 to align # Constraint # added constraint: constraint((T0327)Y51.CB, (T0327)W79.CB) [> 3.4451 = 5.7419 < 7.4644] w=0.0207 to align # Constraint # added constraint: constraint((T0327)R55.CB, (T0327)E64.CB) [> 3.8315 = 6.3858 < 8.3016] w=0.0190 to align # Constraint # added constraint: constraint((T0327)E70.CB, (T0327)A82.CB) [> 3.4822 = 5.8037 < 7.5448] w=0.0189 to align # Constraint # added constraint: constraint((T0327)E70.CB, (T0327)Y83.CB) [> 3.6903 = 6.1505 < 7.9956] w=0.0189 to align # Constraint # added constraint: constraint((T0327)L61.CB, (T0327)I89.CB) [> 3.2324 = 5.3873 < 7.0034] w=0.0188 to align # Constraint # added constraint: constraint((T0327)Y51.CB, (T0327)I93.CB) [> 3.3778 = 5.6297 < 7.3186] w=0.0188 to align # Constraint # added constraint: constraint((T0327)D53.CB, (T0327)I93.CB) [> 3.8463 = 6.4105 < 8.3336] w=0.0188 to align # Constraint # added constraint: constraint((T0327)T29.CB, (T0327)L58.CB) [> 2.6487 = 4.4144 < 5.7388] w=0.0182 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0327/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0327/decoys/ # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1ub9A-dimer11.pdb.gz looking for chain 'A' model 1 # choosing archetypes in rotamer library # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-1ub9A-dimer11 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer1-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer1-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer2-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer2-1tbxA-dimer6 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer3-1tbxA-dimer6.pdb.gz looking for chain 'A' model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation dimer//dimer3-1tbxA-dimer6 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # 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 97 # 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 97 # 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 78 # 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 52 # 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 97 # 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 73 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # 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 69 # 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 # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # 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 79 # 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 90 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 100 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 96 # 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 79 # 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 90 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # 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 61 # 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 34 # 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 62 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 Skipped atom 265, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0327 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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 Skipped atom 265, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0327 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 T0327 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 T0327 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 98 # 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 86 # 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 101 # 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 # 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 48 # 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 # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 27 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 Skipped atom 323, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 325, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 329, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 331, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 98 # 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 97 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 81 # 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 98 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 51 # 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 # 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 10 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 97 # 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 99 # 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 100 # 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 97 # 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 98 # 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 # 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 70 # 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 98 # 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 90 # 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 70 # 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 100 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 77 # 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 59 # 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 T0327 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 51 # 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 79 # 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 # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # 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 65 # 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 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 19 # 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 101 # 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 101 # 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 # Found a chain break before 82 # copying to AlignedFragments data structure # 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 63 # 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 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 # WARNING: incomplete conformation T0327 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 T0327 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 Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0327 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 T0327 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 T0327 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 50, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 70, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 72, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 100 # 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 T0327 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 T0327 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 T0327 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 T0327 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 59 # 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 75 # 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 28 # 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 79 # 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 58 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # 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 # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 21 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 29 # 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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: atoms too close: (T0327)N76.CA and (T0327)K87.CA only 0.000 apart, marking (T0327)K87.CA as missing WARNING: atoms too close: (T0327)G77.CA and (T0327)E88.CA only 0.000 apart, marking (T0327)E88.CA as missing # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 226, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0327 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 T0327 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 72 # 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 64 # 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 79 # 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 73 # 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 64 # 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 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # 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 73 # 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 63 # 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 5 # 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 # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 99 # 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 99 # 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 99 # 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 99 # 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 T0327 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 T0327 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 T0327 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 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 T0327 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 T0327 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 T0327 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 T0327 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 T0327 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: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0327 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 268 model score 0.2177 model score 0.2250 model score 0.2250 model score 0.2250 model score 0.0070 model score 0.2365 model score 0.1308 model score 0.1032 model score 1.1716 model score 0.2480 model score -0.0401 model score -0.0010 model score 0.2739 model score 0.0088 model score 1.2009 model score 1.0168 model score 0.6183 model score 1.8545 model score 0.2660 model score -0.0149 model score 1.2093 model score 0.9078 model score 1.5949 model score 0.8878 model score 0.8878 model score 0.7710 model score 0.5165 model score 0.9189 model score 0.5985 model score -0.0351 model score 1.6746 model score 1.4623 model score -0.0126 model score -0.0117 model score -0.0117 model score -0.1155 model score -0.0946 model score -0.2592 model score -0.0654 model score 0.1986 model score -0.0545 model score -0.1209 model score 0.1986 model score -0.0293 model score 1.5758 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.0101 model score 0.1986 model score -0.1458 model score 0.0203 model score -0.0761 model score -0.0683 model score -0.1155 model score -0.0946 model score -0.2592 model score -0.1458 model score -0.0717 model score -0.2529 model score 1.2152 model score 2.0199 model score -0.0527 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 2.0091 model score 2.0925 model score 2.0313 model score 2.0649 model score 1.7033 model score 2.3320 model score 1.7267 model score 0.1129 model score 1.9217 model score 1.6760 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.1260 model score 0.7195 model score -0.0656 model score 0.0311 model score 0.1265 model score 0.0696 model score 0.0074 model score -0.1736 model score 1.3273 model score 0.1335 model score -0.0432 model score -0.0351 model score -0.0351 model score 0.0553 model score 0.7707 model score 1.2084 model score 0.9861 model score 1.0440 model score -0.0708 model score 0.0984 model score -0.0233 model score 1.7313 model score 2.4199 model score -0.0184 model score -0.0754 model score 2.0109 model score 1.5176 model score 2.2464 model score 0.0066 model score 0.2795 model score 2.0109 model score 1.5014 model score 2.2464 model score -0.0896 model score 0.0469 model score -0.0398 model score -0.0361 model score -0.0505 model score -0.1140 model score 1.4268 model score 0.4898 model score 1.1104 model score 0.8184 model score 1.2637 model score -0.1086 model score -0.1348 model score -0.1306 model score -0.1199 model score -0.1495 model score -0.0550 model score -0.1247 model score -0.1330 model score -0.0792 model score -0.0914 model score 0.0154 model score -0.2712 model score -0.0242 model score 1.3422 model score -0.0432 model score 0.9310 model score 0.0409 model score 0.1285 model score 0.0529 model score 0.0409 model score 0.1682 model score -0.1850 model score -0.0700 model score 0.0161 model score -0.2289 model score 0.0803 model score -0.1659 model score 0.0283 model score -0.1140 model score -0.1401 model score -0.1766 model score -0.0915 model score 0.0576 model score 0.2884 model score -0.0248 model score -0.0012 model score -0.1356 model score 0.0448 model score 0.2646 model score -0.1559 model score -0.0352 model score 0.0161 model score 0.1988 model score 0.1151 model score 0.0803 model score -0.0700 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 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.7311 model score 0.5050 model score 0.7318 model score -0.2324 model score 0.8198 model score -0.1140 model score 0.3338 model score -0.0475 model score 0.2002 model score -0.1659 model score 0.0454 model score 0.0028 model score 0.0461 model score 1.5412 model score 1.7425 model score -0.1140 model score 0.0136 model score -0.0054 model score 0.3076 model score 1.9754 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.5047 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.1034 model score -0.2473 model score -0.0685 model score -0.0047 model score -0.2256 model score -0.0977 model score -0.1944 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.0066 model score -0.1659 model score 0.0961 model score 0.0336 model score 0.1539 model score 1.9117 model score 1.8922 model score 2.1149 model score 2.0236 model score 1.7840 model score -0.0025 model score -0.2344 model score 0.3843 model score 0.2915 model score 0.2116 model score -0.1832 model score -0.0848 model score -0.0370 model score 0.0165 model score 0.0223 model score 0.3466 model score 0.2766 model score 0.0111 model score 0.0102 model score -0.2317 model score 0.5369 model score 1.9117 model score -0.1351 weight: 0.8365 eval: 0.2177 min: -0.2712 max: 2.4199 weight: 0.8341 eval: 0.2250 min: -0.2712 max: 2.4199 weight: 0.8340 eval: 0.2250 min: -0.2712 max: 2.4199 weight: 0.8340 eval: 0.2250 min: -0.2712 max: 2.4199 weight: 0.9070 eval: 0.0070 min: -0.2712 max: 2.4199 weight: 0.8302 eval: 0.2365 min: -0.2712 max: 2.4199 weight: 0.8656 eval: 0.1308 min: -0.2712 max: 2.4199 weight: 0.8748 eval: 0.1032 min: -0.2712 max: 2.4199 weight: 0.5175 eval: 1.1716 min: -0.2712 max: 2.4199 weight: 0.8264 eval: 0.2480 min: -0.2712 max: 2.4199 weight: 0.9227 eval: -0.0401 min: -0.2712 max: 2.4199 weight: 0.9096 eval: -0.0010 min: -0.2712 max: 2.4199 weight: 0.8177 eval: 0.2739 min: -0.2712 max: 2.4199 weight: 0.9064 eval: 0.0088 min: -0.2712 max: 2.4199 weight: 0.5077 eval: 1.2009 min: -0.2712 max: 2.4199 weight: 0.5692 eval: 1.0168 min: -0.2712 max: 2.4199 weight: 0.7025 eval: 0.6183 min: -0.2712 max: 2.4199 weight: 0.2891 eval: 1.8545 min: -0.2712 max: 2.4199 weight: 0.8203 eval: 0.2660 min: -0.2712 max: 2.4199 weight: 0.9143 eval: -0.0149 min: -0.2712 max: 2.4199 weight: 0.5049 eval: 1.2093 min: -0.2712 max: 2.4199 weight: 0.6057 eval: 0.9078 min: -0.2712 max: 2.4199 weight: 0.3759 eval: 1.5949 min: -0.2712 max: 2.4199 weight: 0.6124 eval: 0.8878 min: -0.2712 max: 2.4199 weight: 0.6124 eval: 0.8878 min: -0.2712 max: 2.4199 weight: 0.6514 eval: 0.7710 min: -0.2712 max: 2.4199 weight: 0.7366 eval: 0.5165 min: -0.2712 max: 2.4199 weight: 0.6020 eval: 0.9189 min: -0.2712 max: 2.4199 weight: 0.7091 eval: 0.5985 min: -0.2712 max: 2.4199 weight: 0.9210 eval: -0.0351 min: -0.2712 max: 2.4199 weight: 0.3492 eval: 1.6746 min: -0.2712 max: 2.4199 weight: 0.4203 eval: 1.4623 min: -0.2712 max: 2.4199 weight: 0.9135 eval: -0.0126 min: -0.2712 max: 2.4199 weight: 0.9132 eval: -0.0117 min: -0.2712 max: 2.4199 weight: 0.9132 eval: -0.0117 min: -0.2712 max: 2.4199 weight: 0.9479 eval: -0.1155 min: -0.2712 max: 2.4199 weight: 0.9409 eval: -0.0946 min: -0.2712 max: 2.4199 weight: 0.9960 eval: -0.2592 min: -0.2712 max: 2.4199 weight: 0.9312 eval: -0.0654 min: -0.2712 max: 2.4199 weight: 0.8429 eval: 0.1986 min: -0.2712 max: 2.4199 weight: 0.9275 eval: -0.0545 min: -0.2712 max: 2.4199 weight: 0.9497 eval: -0.1209 min: -0.2712 max: 2.4199 weight: 0.8429 eval: 0.1986 min: -0.2712 max: 2.4199 weight: 0.9191 eval: -0.0293 min: -0.2712 max: 2.4199 weight: 0.3823 eval: 1.5758 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.9059 eval: 0.0101 min: -0.2712 max: 2.4199 weight: 0.8429 eval: 0.1986 min: -0.2712 max: 2.4199 weight: 0.9581 eval: -0.1458 min: -0.2712 max: 2.4199 weight: 0.9025 eval: 0.0203 min: -0.2712 max: 2.4199 weight: 0.9348 eval: -0.0761 min: -0.2712 max: 2.4199 weight: 0.9321 eval: -0.0683 min: -0.2712 max: 2.4199 weight: 0.9479 eval: -0.1155 min: -0.2712 max: 2.4199 weight: 0.9409 eval: -0.0946 min: -0.2712 max: 2.4199 weight: 0.9960 eval: -0.2592 min: -0.2712 max: 2.4199 weight: 0.9581 eval: -0.1458 min: -0.2712 max: 2.4199 weight: 0.9333 eval: -0.0717 min: -0.2712 max: 2.4199 weight: 0.9939 eval: -0.2529 min: -0.2712 max: 2.4199 weight: 0.5029 eval: 1.2152 min: -0.2712 max: 2.4199 weight: 0.2338 eval: 2.0199 min: -0.2712 max: 2.4199 weight: 0.9269 eval: -0.0527 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.2374 eval: 2.0091 min: -0.2712 max: 2.4199 weight: 0.2095 eval: 2.0925 min: -0.2712 max: 2.4199 weight: 0.2300 eval: 2.0313 min: -0.2712 max: 2.4199 weight: 0.2187 eval: 2.0649 min: -0.2712 max: 2.4199 weight: 0.3396 eval: 1.7033 min: -0.2712 max: 2.4199 weight: 0.1294 eval: 2.3320 min: -0.2712 max: 2.4199 weight: 0.3318 eval: 1.7267 min: -0.2712 max: 2.4199 weight: 0.8716 eval: 0.1129 min: -0.2712 max: 2.4199 weight: 0.2666 eval: 1.9217 min: -0.2712 max: 2.4199 weight: 0.3488 eval: 1.6760 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.9515 eval: -0.1260 min: -0.2712 max: 2.4199 weight: 0.6687 eval: 0.7195 min: -0.2712 max: 2.4199 weight: 0.9312 eval: -0.0656 min: -0.2712 max: 2.4199 weight: 0.8989 eval: 0.0311 min: -0.2712 max: 2.4199 weight: 0.8670 eval: 0.1265 min: -0.2712 max: 2.4199 weight: 0.8860 eval: 0.0696 min: -0.2712 max: 2.4199 weight: 0.9068 eval: 0.0074 min: -0.2712 max: 2.4199 weight: 0.9674 eval: -0.1736 min: -0.2712 max: 2.4199 weight: 0.4654 eval: 1.3273 min: -0.2712 max: 2.4199 weight: 0.8647 eval: 0.1335 min: -0.2712 max: 2.4199 weight: 0.9238 eval: -0.0432 min: -0.2712 max: 2.4199 weight: 0.9210 eval: -0.0351 min: -0.2712 max: 2.4199 weight: 0.9210 eval: -0.0351 min: -0.2712 max: 2.4199 weight: 0.8908 eval: 0.0553 min: -0.2712 max: 2.4199 weight: 0.6515 eval: 0.7707 min: -0.2712 max: 2.4199 weight: 0.5052 eval: 1.2084 min: -0.2712 max: 2.4199 weight: 0.5795 eval: 0.9861 min: -0.2712 max: 2.4199 weight: 0.5602 eval: 1.0440 min: -0.2712 max: 2.4199 weight: 0.9330 eval: -0.0708 min: -0.2712 max: 2.4199 weight: 0.8764 eval: 0.0984 min: -0.2712 max: 2.4199 weight: 0.9171 eval: -0.0233 min: -0.2712 max: 2.4199 weight: 0.3303 eval: 1.7313 min: -0.2712 max: 2.4199 weight: 0.1000 eval: 2.4199 min: -0.2712 max: 2.4199 weight: 0.9155 eval: -0.0184 min: -0.2712 max: 2.4199 weight: 0.9345 eval: -0.0754 min: -0.2712 max: 2.4199 weight: 0.2368 eval: 2.0109 min: -0.2712 max: 2.4199 weight: 0.4017 eval: 1.5176 min: -0.2712 max: 2.4199 weight: 0.1580 eval: 2.2464 min: -0.2712 max: 2.4199 weight: 0.9071 eval: 0.0066 min: -0.2712 max: 2.4199 weight: 0.8158 eval: 0.2795 min: -0.2712 max: 2.4199 weight: 0.2368 eval: 2.0109 min: -0.2712 max: 2.4199 weight: 0.4072 eval: 1.5014 min: -0.2712 max: 2.4199 weight: 0.1580 eval: 2.2464 min: -0.2712 max: 2.4199 weight: 0.9393 eval: -0.0896 min: -0.2712 max: 2.4199 weight: 0.8936 eval: 0.0469 min: -0.2712 max: 2.4199 weight: 0.9226 eval: -0.0398 min: -0.2712 max: 2.4199 weight: 0.9214 eval: -0.0361 min: -0.2712 max: 2.4199 weight: 0.9262 eval: -0.0505 min: -0.2712 max: 2.4199 weight: 0.9474 eval: -0.1140 min: -0.2712 max: 2.4199 weight: 0.4321 eval: 1.4268 min: -0.2712 max: 2.4199 weight: 0.7455 eval: 0.4898 min: -0.2712 max: 2.4199 weight: 0.5379 eval: 1.1104 min: -0.2712 max: 2.4199 weight: 0.6356 eval: 0.8184 min: -0.2712 max: 2.4199 weight: 0.4867 eval: 1.2637 min: -0.2712 max: 2.4199 weight: 0.9456 eval: -0.1086 min: -0.2712 max: 2.4199 weight: 0.9544 eval: -0.1348 min: -0.2712 max: 2.4199 weight: 0.9530 eval: -0.1306 min: -0.2712 max: 2.4199 weight: 0.9494 eval: -0.1199 min: -0.2712 max: 2.4199 weight: 0.9593 eval: -0.1495 min: -0.2712 max: 2.4199 weight: 0.9277 eval: -0.0550 min: -0.2712 max: 2.4199 weight: 0.9510 eval: -0.1247 min: -0.2712 max: 2.4199 weight: 0.9538 eval: -0.1330 min: -0.2712 max: 2.4199 weight: 0.9358 eval: -0.0792 min: -0.2712 max: 2.4199 weight: 0.9399 eval: -0.0914 min: -0.2712 max: 2.4199 weight: 0.9042 eval: 0.0154 min: -0.2712 max: 2.4199 weight: 1.0000 eval: -0.2712 min: -0.2712 max: 2.4199 weight: 0.9174 eval: -0.0242 min: -0.2712 max: 2.4199 weight: 0.4604 eval: 1.3422 min: -0.2712 max: 2.4199 weight: 0.9238 eval: -0.0432 min: -0.2712 max: 2.4199 weight: 0.5979 eval: 0.9310 min: -0.2712 max: 2.4199 weight: 0.8956 eval: 0.0409 min: -0.2712 max: 2.4199 weight: 0.8663 eval: 0.1285 min: -0.2712 max: 2.4199 weight: 0.8916 eval: 0.0529 min: -0.2712 max: 2.4199 weight: 0.8956 eval: 0.0409 min: -0.2712 max: 2.4199 weight: 0.8531 eval: 0.1682 min: -0.2712 max: 2.4199 weight: 0.9712 eval: -0.1850 min: -0.2712 max: 2.4199 weight: 0.9327 eval: -0.0700 min: -0.2712 max: 2.4199 weight: 0.9039 eval: 0.0161 min: -0.2712 max: 2.4199 weight: 0.9859 eval: -0.2289 min: -0.2712 max: 2.4199 weight: 0.8824 eval: 0.0803 min: -0.2712 max: 2.4199 weight: 0.9648 eval: -0.1659 min: -0.2712 max: 2.4199 weight: 0.8998 eval: 0.0283 min: -0.2712 max: 2.4199 weight: 0.9474 eval: -0.1140 min: -0.2712 max: 2.4199 weight: 0.9562 eval: -0.1401 min: -0.2712 max: 2.4199 weight: 0.9684 eval: -0.1766 min: -0.2712 max: 2.4199 weight: 0.9399 eval: -0.0915 min: -0.2712 max: 2.4199 weight: 0.8900 eval: 0.0576 min: -0.2712 max: 2.4199 weight: 0.8129 eval: 0.2884 min: -0.2712 max: 2.4199 weight: 0.9176 eval: -0.0248 min: -0.2712 max: 2.4199 weight: 0.9097 eval: -0.0012 min: -0.2712 max: 2.4199 weight: 0.9547 eval: -0.1356 min: -0.2712 max: 2.4199 weight: 0.8943 eval: 0.0448 min: -0.2712 max: 2.4199 weight: 0.8208 eval: 0.2646 min: -0.2712 max: 2.4199 weight: 0.9614 eval: -0.1559 min: -0.2712 max: 2.4199 weight: 0.9211 eval: -0.0352 min: -0.2712 max: 2.4199 weight: 0.9039 eval: 0.0161 min: -0.2712 max: 2.4199 weight: 0.8428 eval: 0.1988 min: -0.2712 max: 2.4199 weight: 0.8708 eval: 0.1151 min: -0.2712 max: 2.4199 weight: 0.8824 eval: 0.0803 min: -0.2712 max: 2.4199 weight: 0.9327 eval: -0.0700 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.6648 eval: 0.7311 min: -0.2712 max: 2.4199 weight: 0.7404 eval: 0.5050 min: -0.2712 max: 2.4199 weight: 0.6646 eval: 0.7318 min: -0.2712 max: 2.4199 weight: 0.9870 eval: -0.2324 min: -0.2712 max: 2.4199 weight: 0.6351 eval: 0.8198 min: -0.2712 max: 2.4199 weight: 0.9474 eval: -0.1140 min: -0.2712 max: 2.4199 weight: 0.7977 eval: 0.3338 min: -0.2712 max: 2.4199 weight: 0.9252 eval: -0.0475 min: -0.2712 max: 2.4199 weight: 0.8424 eval: 0.2002 min: -0.2712 max: 2.4199 weight: 0.9648 eval: -0.1659 min: -0.2712 max: 2.4199 weight: 0.8941 eval: 0.0454 min: -0.2712 max: 2.4199 weight: 0.9084 eval: 0.0028 min: -0.2712 max: 2.4199 weight: 0.8939 eval: 0.0461 min: -0.2712 max: 2.4199 weight: 0.3939 eval: 1.5412 min: -0.2712 max: 2.4199 weight: 0.3266 eval: 1.7425 min: -0.2712 max: 2.4199 weight: 0.9474 eval: -0.1140 min: -0.2712 max: 2.4199 weight: 0.9048 eval: 0.0136 min: -0.2712 max: 2.4199 weight: 0.9111 eval: -0.0054 min: -0.2712 max: 2.4199 weight: 0.8064 eval: 0.3076 min: -0.2712 max: 2.4199 weight: 0.2486 eval: 1.9754 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.7405 eval: 0.5047 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.9439 eval: -0.1034 min: -0.2712 max: 2.4199 weight: 0.9920 eval: -0.2473 min: -0.2712 max: 2.4199 weight: 0.9322 eval: -0.0685 min: -0.2712 max: 2.4199 weight: 0.9109 eval: -0.0047 min: -0.2712 max: 2.4199 weight: 0.9847 eval: -0.2256 min: -0.2712 max: 2.4199 weight: 0.9420 eval: -0.0977 min: -0.2712 max: 2.4199 weight: 0.9743 eval: -0.1944 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.4822 eval: 1.2771 min: -0.2712 max: 2.4199 weight: 0.9115 eval: -0.0066 min: -0.2712 max: 2.4199 weight: 0.9648 eval: -0.1659 min: -0.2712 max: 2.4199 weight: 0.8772 eval: 0.0961 min: -0.2712 max: 2.4199 weight: 0.8981 eval: 0.0336 min: -0.2712 max: 2.4199 weight: 0.8578 eval: 0.1539 min: -0.2712 max: 2.4199 weight: 0.2700 eval: 1.9117 min: -0.2712 max: 2.4199 weight: 0.2765 eval: 1.8922 min: -0.2712 max: 2.4199 weight: 0.2020 eval: 2.1149 min: -0.2712 max: 2.4199 weight: 0.2325 eval: 2.0236 min: -0.2712 max: 2.4199 weight: 0.3127 eval: 1.7840 min: -0.2712 max: 2.4199 weight: 0.9102 eval: -0.0025 min: -0.2712 max: 2.4199 weight: 0.9877 eval: -0.2344 min: -0.2712 max: 2.4199 weight: 0.7808 eval: 0.3843 min: -0.2712 max: 2.4199 weight: 0.8118 eval: 0.2915 min: -0.2712 max: 2.4199 weight: 0.8385 eval: 0.2116 min: -0.2712 max: 2.4199 weight: 0.9706 eval: -0.1832 min: -0.2712 max: 2.4199 weight: 0.9377 eval: -0.0848 min: -0.2712 max: 2.4199 weight: 0.9217 eval: -0.0370 min: -0.2712 max: 2.4199 weight: 0.9038 eval: 0.0165 min: -0.2712 max: 2.4199 weight: 0.9019 eval: 0.0223 min: -0.2712 max: 2.4199 weight: 0.7934 eval: 0.3466 min: -0.2712 max: 2.4199 weight: 0.8168 eval: 0.2766 min: -0.2712 max: 2.4199 weight: 0.9056 eval: 0.0111 min: -0.2712 max: 2.4199 weight: 0.9059 eval: 0.0102 min: -0.2712 max: 2.4199 weight: 0.9868 eval: -0.2317 min: -0.2712 max: 2.4199 weight: 0.7297 eval: 0.5369 min: -0.2712 max: 2.4199 weight: 0.2700 eval: 1.9117 min: -0.2712 max: 2.4199 weight: 0.9545 eval: -0.1351 min: -0.2712 max: 2.4199 Adding 2858 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: -176.7872, CN propb: -176.7872 weights: 0.3029 constraints: 173 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 173 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 173 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 2685 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 2685 # 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 2858 # command: