# 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/T0385/ # command:# Making conformation for sequence T0385 numbered 1 through 162 Created new target T0385 from T0385.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0385/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0385//projects/compbio/experiments/protein-predict/casp7/T0385/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0385//projects/compbio/experiments/protein-predict/casp7/T0385/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0385/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0385/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((T0385)H34.CB, (T0385)R66.CB) [> 3.2000 = 5.3333 < 6.9333] w=1.0000 to align # Constraint # added constraint: constraint((T0385)A29.CB, (T0385)A113.CB) [> 3.7712 = 6.2853 < 8.1708] w=0.9994 to align # Constraint # added constraint: constraint((T0385)A29.CB, (T0385)V117.CB) [> 3.4490 = 5.7483 < 7.4728] w=0.9932 to align # Constraint # added constraint: constraint((T0385)E33.CB, (T0385)V69.CB) [> 3.9194 = 6.5323 < 8.4920] w=0.9827 to align # Constraint # added constraint: constraint((T0385)L30.CB, (T0385)V69.CB) [> 2.8121 = 4.6868 < 6.0928] w=0.9827 to align # Constraint # added constraint: constraint((T0385)V51.CB, (T0385)A96.CB) [> 3.6178 = 6.0297 < 7.8386] w=0.9647 to align # Constraint # added constraint: constraint((T0385)T36.CB, (T0385)M106.CB) [> 3.7408 = 6.2346 < 8.1049] w=0.9647 to align # Constraint # added constraint: constraint((T0385)V32.CB, (T0385)A113.CB) [> 3.6494 = 6.0823 < 7.9071] w=0.9647 to align # Constraint # added constraint: constraint((T0385)A25.CB, (T0385)H120.CB) [> 3.4886 = 5.8144 < 7.5587] w=0.9585 to align # Constraint # added constraint: constraint((T0385)L26.CB, (T0385)M72.CB) [> 4.0355 = 6.7258 < 8.7435] w=0.9480 to align # Constraint # added constraint: constraint((T0385)I37.CB, (T0385)H62.CB) [> 2.4912 = 4.1519 < 5.3975] w=0.9480 to align # Constraint # added constraint: constraint((T0385)I37.CB, (T0385)R66.CB) [> 3.8895 = 6.4825 < 8.4273] w=0.9480 to align # Constraint # added constraint: constraint((T0385)Y40.CB, (T0385)H62.CB) [> 3.6724 = 6.1207 < 7.9569] w=0.9480 to align # Constraint # added constraint: constraint((T0385)I70.CB, (T0385)A80.CB) [> 3.1735 = 5.2891 < 6.8759] w=0.9305 to align # Constraint # added constraint: constraint((T0385)C27.CB, (T0385)L73.CB) [> 4.0862 = 6.8103 < 8.8533] w=0.9284 to align # Constraint # added constraint: constraint((T0385)N23.CB, (T0385)V78.CB) [> 2.8280 = 4.7133 < 6.1273] w=0.9183 to align # Constraint # added constraint: constraint((T0385)V118.CB, (T0385)R127.CB) [> 3.4490 = 5.7483 < 7.4728] w=0.9146 to align # Constraint # added constraint: constraint((T0385)W114.CB, (T0385)A130.CB) [> 3.5240 = 5.8733 < 7.6353] w=0.9146 to align # Constraint # added constraint: constraint((T0385)Y40.CB, (T0385)A103.CB) [> 4.3842 = 7.3070 < 9.4990] w=0.9144 to align # Constraint # added constraint: constraint((T0385)L30.CB, (T0385)R66.CB) [> 3.2283 = 5.3805 < 6.9947] w=0.9077 to align # Constraint # added constraint: constraint((T0385)L30.CB, (T0385)L73.CB) [> 4.2895 = 7.1491 < 9.2938] w=0.9050 to align # Constraint # added constraint: constraint((T0385)L26.CB, (T0385)V117.CB) [> 4.2580 = 7.0966 < 9.2256] w=0.9015 to align # Constraint # added constraint: constraint((T0385)D22.CB, (T0385)H120.CB) [> 3.6539 = 6.0898 < 7.9167] w=0.9015 to align # Constraint # added constraint: constraint((T0385)L26.CB, (T0385)V69.CB) [> 3.4061 = 5.6769 < 7.3799] w=0.8904 to align # Constraint # added constraint: constraint((T0385)E33.CB, (T0385)R66.CB) [> 2.3699 = 3.9499 < 5.1349] w=0.8904 to align # Constraint # added constraint: constraint((T0385)A25.CB, (T0385)V117.CB) [> 2.8540 = 4.7566 < 6.1836] w=0.8842 to align # Constraint # added constraint: constraint((T0385)D22.CB, (T0385)A121.CB) [> 3.4791 = 5.7985 < 7.5381] w=0.8842 to align # Constraint # added constraint: constraint((T0385)E33.CB, (T0385)R65.CB) [> 2.8289 = 4.7148 < 6.1292] w=0.8736 to align # Constraint # added constraint: constraint((T0385)A29.CB, (T0385)V69.CB) [> 3.4797 = 5.7996 < 7.5394] w=0.8736 to align # Constraint # added constraint: constraint((T0385)N23.CB, (T0385)R76.CB) [> 3.9028 = 6.5047 < 8.4562] w=0.8703 to align # Constraint # added constraint: constraint((T0385)L26.CB, (T0385)L73.CB) [> 3.2613 = 5.4355 < 7.0662] w=0.8697 to align # Constraint # added constraint: constraint((T0385)V117.CB, (T0385)A130.CB) [> 3.5824 = 5.9707 < 7.7620] w=0.8568 to align # Constraint # added constraint: constraint((T0385)V118.CB, (T0385)A130.CB) [> 2.8700 = 4.7834 < 6.2184] w=0.8568 to align # Constraint # added constraint: constraint((T0385)A121.CB, (T0385)A130.CB) [> 3.9563 = 6.5938 < 8.5720] w=0.8568 to align # Constraint # added constraint: constraint((T0385)A25.CB, (T0385)A116.CB) [> 4.4518 = 7.4198 < 9.6457] w=0.8557 to align # Constraint # added constraint: constraint((T0385)D28.CB, (T0385)A113.CB) [> 4.4303 = 7.3838 < 9.5989] w=0.8557 to align # Constraint # added constraint: constraint((T0385)V32.CB, (T0385)G110.CA) [> 3.6122 = 6.0204 < 7.8265] w=0.8557 to align # Constraint # added constraint: constraint((T0385)E33.CB, (T0385)H62.CB) [> 3.1592 = 5.2653 < 6.8450] w=0.8557 to align # Constraint # added constraint: constraint((T0385)I37.CB, (T0385)L59.CB) [> 3.0780 = 5.1300 < 6.6690] w=0.8557 to align # Constraint # added constraint: constraint((T0385)Y40.CB, (T0385)V55.CB) [> 3.0449 = 5.0748 < 6.5972] w=0.8557 to align # Constraint # added constraint: constraint((T0385)Y40.CB, (T0385)A56.CB) [> 4.4187 = 7.3645 < 9.5738] w=0.8557 to align # Constraint # added constraint: constraint((T0385)Y40.CB, (T0385)A58.CB) [> 2.8322 = 4.7203 < 6.1364] w=0.8557 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)A141.CB) [> 3.8744 = 6.4574 < 8.3946] w=0.8472 to align # Constraint # added constraint: constraint((T0385)A100.CB, (T0385)W144.CB) [> 3.5277 = 5.8795 < 7.6433] w=0.8472 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)L134.CB) [> 4.0427 = 6.7378 < 8.7592] w=0.8413 to align # Constraint # added constraint: constraint((T0385)T36.CB, (T0385)H62.CB) [> 2.6533 = 4.4221 < 5.7488] w=0.8389 to align # Constraint # added constraint: constraint((T0385)N23.CB, (T0385)L73.CB) [> 3.9868 = 6.6446 < 8.6380] w=0.8361 to align # Constraint # added constraint: constraint((T0385)A21.CB, (T0385)H120.CB) [> 3.7641 = 6.2735 < 8.1556] w=0.8220 to align # Constraint # added constraint: constraint((T0385)M72.CB, (T0385)F129.CB) [> 3.6233 = 6.0388 < 7.8505] w=0.8220 to align # Constraint # added constraint: constraint((T0385)C27.CB, (T0385)V78.CB) [> 4.1996 = 6.9993 < 9.0991] w=0.8127 to align # Constraint # added constraint: constraint((T0385)A35.CB, (T0385)A85.CB) [> 3.3894 = 5.6490 < 7.3437] w=0.8121 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)L59.CB) [> 4.4041 = 7.3402 < 9.5423] w=0.8054 to align # Constraint # added constraint: constraint((T0385)V118.CB, (T0385)S131.CB) [> 3.8998 = 6.4998 < 8.4497] w=0.7885 to align # Constraint # added constraint: constraint((T0385)L30.CB, (T0385)A80.CB) [> 4.1088 = 6.8480 < 8.9024] w=0.7879 to align # Constraint # added constraint: constraint((T0385)D22.CB, (T0385)V117.CB) [> 4.5138 = 7.5230 < 9.7799] w=0.7620 to align # Constraint # added constraint: constraint((T0385)R76.CB, (T0385)D126.CB) [> 4.5779 = 7.6298 < 9.9187] w=0.7458 to align # Constraint # added constraint: constraint((T0385)A31.CB, (T0385)A85.CB) [> 4.0600 = 6.7667 < 8.7967] w=0.7410 to align # Constraint # added constraint: constraint((T0385)C27.CB, (T0385)A80.CB) [> 3.9664 = 6.6107 < 8.5939] w=0.7366 to align # Constraint # added constraint: constraint((T0385)C27.CB, (T0385)P81.CB) [> 3.0914 = 5.1524 < 6.6981] w=0.7366 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)M106.CB) [> 4.5260 = 7.5433 < 9.8063] w=0.7298 to align # Constraint # added constraint: constraint((T0385)L26.CB, (T0385)V78.CB) [> 3.9890 = 6.6484 < 8.6429] w=0.7210 to align # Constraint # added constraint: constraint((T0385)V93.CB, (T0385)L102.CB) [> 3.6647 = 6.1078 < 7.9401] w=0.7109 to align # Constraint # added constraint: constraint((T0385)V43.CB, (T0385)V55.CB) [> 2.7974 = 4.6623 < 6.0610] w=0.6904 to align # Constraint # added constraint: constraint((T0385)H34.CB, (T0385)A85.CB) [> 3.3165 = 5.5274 < 7.1857] w=0.6863 to align # Constraint # added constraint: constraint((T0385)E18.CB, (T0385)R76.CB) [> 2.8564 = 4.7607 < 6.1889] w=0.6787 to align # Constraint # added constraint: constraint((T0385)Y38.CB, (T0385)A85.CB) [> 3.6149 = 6.0248 < 7.8323] w=0.6777 to align # Constraint # added constraint: constraint((T0385)T36.CB, (T0385)G110.CA) [> 4.0760 = 6.7934 < 8.8314] w=0.6678 to align # Constraint # added constraint: constraint((T0385)M72.CB, (T0385)D126.CB) [> 3.9781 = 6.6302 < 8.6193] w=0.6664 to align # Constraint # added constraint: constraint((T0385)A58.CB, (T0385)A103.CB) [> 4.4513 = 7.4188 < 9.6445] w=0.6604 to align # Constraint # added constraint: constraint((T0385)G41.CA, (T0385)V55.CB) [> 3.8132 = 6.3553 < 8.2619] w=0.6570 to align # Constraint # added constraint: constraint((T0385)A35.CB, (T0385)G86.CA) [> 3.5819 = 5.9698 < 7.7608] w=0.6519 to align # Constraint # added constraint: constraint((T0385)E18.CB, (T0385)G77.CA) [> 3.9677 = 6.6129 < 8.5968] w=0.6423 to align # Constraint # added constraint: constraint((T0385)D22.CB, (T0385)D126.CB) [> 3.5166 = 5.8609 < 7.6192] w=0.6353 to align # Constraint # added constraint: constraint((T0385)Y38.CB, (T0385)L59.CB) [> 4.5715 = 7.6192 < 9.9049] w=0.6210 to align # Constraint # added constraint: constraint((T0385)V55.CB, (T0385)A103.CB) [> 4.4907 = 7.4844 < 9.7298] w=0.6166 to align # Constraint # added constraint: constraint((T0385)V51.CB, (T0385)A99.CB) [> 4.2304 = 7.0507 < 9.1659] w=0.6091 to align # Constraint # added constraint: constraint((T0385)W114.CB, (T0385)L134.CB) [> 3.0012 = 5.0020 < 6.5026] w=0.6080 to align # Constraint # added constraint: constraint((T0385)A31.CB, (T0385)A83.CB) [> 3.1212 = 5.2019 < 6.7625] w=0.5966 to align # Constraint # added constraint: constraint((T0385)S15.CB, (T0385)R76.CB) [> 3.8739 = 6.4565 < 8.3934] w=0.5945 to align # Constraint # added constraint: constraint((T0385)S15.CB, (T0385)G77.CA) [> 2.6774 = 4.4623 < 5.8011] w=0.5928 to align # Constraint # added constraint: constraint((T0385)E107.CB, (T0385)A141.CB) [> 2.7222 = 4.5371 < 5.8982] w=0.5912 to align # Constraint # added constraint: constraint((T0385)R65.CB, (T0385)A133.CB) [> 3.2862 = 5.4770 < 7.1201] w=0.5899 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)A141.CB) [> 3.9323 = 6.5538 < 8.5199] w=0.5732 to align # Constraint # added constraint: constraint((T0385)V118.CB, (T0385)L134.CB) [> 4.0610 = 6.7683 < 8.7988] w=0.5726 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)A138.CB) [> 3.8726 = 6.4543 < 8.3906] w=0.5717 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)N145.CB) [> 3.7900 = 6.3166 < 8.2116] w=0.5559 to align # Constraint # added constraint: constraint((T0385)E107.CB, (T0385)W144.CB) [> 3.8785 = 6.4641 < 8.4034] w=0.5558 to align # Constraint # added constraint: constraint((T0385)V55.CB, (T0385)A99.CB) [> 4.3930 = 7.3216 < 9.5181] w=0.5547 to align # Constraint # added constraint: constraint((T0385)E107.CB, (T0385)M140.CB) [> 3.3464 = 5.5774 < 7.2506] w=0.5545 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)S137.CB) [> 3.1373 = 5.2288 < 6.7974] w=0.5545 to align # Constraint # added constraint: constraint((T0385)W114.CB, (T0385)A133.CB) [> 3.6532 = 6.0887 < 7.9153] w=0.5545 to align # Constraint # added constraint: constraint((T0385)R115.CB, (T0385)L134.CB) [> 4.1256 = 6.8760 < 8.9388] w=0.5545 to align # Constraint # added constraint: constraint((T0385)L46.CB, (T0385)A99.CB) [> 4.2395 = 7.0659 < 9.1856] w=0.5477 to align # Constraint # added constraint: constraint((T0385)G41.CA, (T0385)L59.CB) [> 3.2087 = 5.3479 < 6.9523] w=0.5406 to align # Constraint # added constraint: constraint((T0385)N108.CB, (T0385)A141.CB) [> 3.8699 = 6.4498 < 8.3847] w=0.5377 to align # Constraint # added constraint: constraint((T0385)A103.CB, (T0385)W144.CB) [> 3.1881 = 5.3136 < 6.9077] w=0.5377 to align # Constraint # added constraint: constraint((T0385)V43.CB, (T0385)A99.CB) [> 3.6498 = 6.0830 < 7.9078] w=0.5363 to align # Constraint # added constraint: constraint((T0385)L30.CB, (T0385)I82.CB) [> 4.6167 = 7.6946 < 10.0029] w=0.5313 to align # Constraint # added constraint: constraint((T0385)R14.CB, (T0385)G77.CA) [> 3.1676 = 5.2793 < 6.8630] w=0.5218 to align # Constraint # added constraint: constraint((T0385)V43.CB, (T0385)N52.CB) [> 3.2950 = 5.4917 < 7.1392] w=0.5199 to align # Constraint # added constraint: constraint((T0385)A97.CB, (T0385)L148.CB) [> 3.9586 = 6.5977 < 8.5771] w=0.5180 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)W144.CB) [> 2.7406 = 4.5677 < 5.9380] w=0.5030 to align # Constraint # added constraint: constraint((T0385)A31.CB, (T0385)I82.CB) [> 4.4850 = 7.4750 < 9.7176] w=0.5019 to align # Constraint # added constraint: constraint((T0385)N23.CB, (T0385)T79.CB) [> 4.3241 = 7.2069 < 9.3689] w=0.5019 to align # Constraint # added constraint: constraint((T0385)G41.CA, (T0385)A56.CB) [> 3.7870 = 6.3116 < 8.2051] w=0.4890 to align # Constraint # added constraint: constraint((T0385)A100.CB, (T0385)V147.CB) [> 3.3194 = 5.5323 < 7.1920] w=0.4863 to align # Constraint # added constraint: constraint((T0385)R14.CB, (T0385)R76.CB) [> 4.3935 = 7.3225 < 9.5193] w=0.4838 to align # Constraint # added constraint: constraint((T0385)R65.CB, (T0385)E136.CB) [> 4.2302 = 7.0504 < 9.1655] w=0.4804 to align # Constraint # added constraint: constraint((T0385)D68.CB, (T0385)A133.CB) [> 4.0463 = 6.7439 < 8.7671] w=0.4781 to align # Constraint # added constraint: constraint((T0385)L26.CB, (T0385)D126.CB) [> 4.1084 = 6.8474 < 8.9016] w=0.4623 to align # Constraint # added constraint: constraint((T0385)S44.CB, (T0385)V55.CB) [> 2.5459 = 4.2431 < 5.5160] w=0.4544 to align # Constraint # added constraint: constraint((T0385)D68.CB, (T0385)F129.CB) [> 3.5513 = 5.9189 < 7.6945] w=0.4406 to align # Constraint # added constraint: constraint((T0385)R76.CB, (T0385)D125.CB) [> 4.4915 = 7.4858 < 9.7315] w=0.4367 to align # Constraint # added constraint: constraint((T0385)A58.CB, (T0385)M140.CB) [> 3.2225 = 5.3708 < 6.9820] w=0.4262 to align # Constraint # added constraint: constraint((T0385)C27.CB, (T0385)A83.CB) [> 4.5030 = 7.5049 < 9.7564] w=0.4201 to align # Constraint # added constraint: constraint((T0385)A100.CB, (T0385)L148.CB) [> 3.2004 = 5.3340 < 6.9342] w=0.4196 to align # Constraint # added constraint: constraint((T0385)A97.CB, (T0385)A141.CB) [> 3.8489 = 6.4147 < 8.3392] w=0.4067 to align # Constraint # added constraint: constraint((T0385)A100.CB, (T0385)A141.CB) [> 3.1560 = 5.2600 < 6.8380] w=0.4067 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)L134.CB) [> 3.7119 = 6.1865 < 8.0424] w=0.4067 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)A138.CB) [> 3.8640 = 6.4401 < 8.3721] w=0.4067 to align # Constraint # added constraint: constraint((T0385)V43.CB, (T0385)A103.CB) [> 4.2030 = 7.0049 < 9.1064] w=0.4026 to align # Constraint # added constraint: constraint((T0385)Y38.CB, (T0385)G86.CA) [> 4.2506 = 7.0843 < 9.2096] w=0.3997 to align # Constraint # added constraint: constraint((T0385)L54.CB, (T0385)R143.CB) [> 4.0419 = 6.7365 < 8.7575] w=0.3892 to align # Constraint # added constraint: constraint((T0385)L26.CB, (T0385)R76.CB) [> 4.1719 = 6.9532 < 9.0391] w=0.3892 to align # Constraint # added constraint: constraint((T0385)S47.CB, (T0385)A96.CB) [> 4.2708 = 7.1180 < 9.2534] w=0.3891 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)L148.CB) [> 3.9870 = 6.6450 < 8.6384] w=0.3849 to align # Constraint # added constraint: constraint((T0385)I42.CB, (T0385)A99.CB) [> 3.6964 = 6.1607 < 8.0089] w=0.3824 to align # Constraint # added constraint: constraint((T0385)V32.CB, (T0385)D109.CB) [> 4.5525 = 7.5874 < 9.8636] w=0.3783 to align # Constraint # added constraint: constraint((T0385)R101.CB, (T0385)L148.CB) [> 3.9028 = 6.5046 < 8.4560] w=0.3682 to align # Constraint # added constraint: constraint((T0385)Y38.CB, (T0385)P90.CB) [> 3.8440 = 6.4066 < 8.3286] w=0.3614 to align # Constraint # added constraint: constraint((T0385)A25.CB, (T0385)A121.CB) [> 4.4667 = 7.4445 < 9.6779] w=0.3525 to align # Constraint # added constraint: constraint((T0385)N23.CB, (T0385)G77.CA) [> 3.9920 = 6.6533 < 8.6493] w=0.3523 to align # Constraint # added constraint: constraint((T0385)E107.CB, (T0385)A133.CB) [> 3.3217 = 5.5361 < 7.1969] w=0.3442 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)S137.CB) [> 2.6317 = 4.3862 < 5.7020] w=0.3442 to align # Constraint # added constraint: constraint((T0385)A103.CB, (T0385)S137.CB) [> 3.4534 = 5.7556 < 7.4823] w=0.3442 to align # Constraint # added constraint: constraint((T0385)A100.CB, (T0385)M140.CB) [> 3.2584 = 5.4307 < 7.0599] w=0.3442 to align # Constraint # added constraint: constraint((T0385)A97.CB, (T0385)N145.CB) [> 3.8777 = 6.4629 < 8.4018] w=0.3442 to align # Constraint # added constraint: constraint((T0385)A97.CB, (T0385)W144.CB) [> 2.8342 = 4.7238 < 6.1409] w=0.3442 to align # Constraint # added constraint: constraint((T0385)A96.CB, (T0385)W144.CB) [> 3.6175 = 6.0292 < 7.8379] w=0.3442 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)L89.CB) [> 3.5959 = 5.9931 < 7.7911] w=0.3309 to align # Constraint # added constraint: constraint((T0385)V69.CB, (T0385)A80.CB) [> 4.4027 = 7.3378 < 9.5391] w=0.3270 to align # Constraint # added constraint: constraint((T0385)I42.CB, (T0385)V93.CB) [> 4.1578 = 6.9297 < 9.0086] w=0.3262 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)M91.CB) [> 3.2634 = 5.4390 < 7.0706] w=0.3238 to align # Constraint # added constraint: constraint((T0385)A31.CB, (T0385)P81.CB) [> 3.6565 = 6.0942 < 7.9225] w=0.3142 to align # Constraint # added constraint: constraint((T0385)S47.CB, (T0385)A99.CB) [> 4.2866 = 7.1443 < 9.2875] w=0.3009 to align # Constraint # added constraint: constraint((T0385)V43.CB, (T0385)L102.CB) [> 4.5488 = 7.5814 < 9.8558] w=0.2997 to align # Constraint # added constraint: constraint((T0385)G41.CA, (T0385)N52.CB) [> 3.5519 = 5.9198 < 7.6957] w=0.2959 to align # Constraint # added constraint: constraint((T0385)A58.CB, (T0385)R143.CB) [> 4.4959 = 7.4932 < 9.7412] w=0.2937 to align # Constraint # added constraint: constraint((T0385)I42.CB, (T0385)M91.CB) [> 3.3093 = 5.5155 < 7.1702] w=0.2830 to align # Constraint # added constraint: constraint((T0385)L46.CB, (T0385)V93.CB) [> 3.4057 = 5.6761 < 7.3790] w=0.2814 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)P90.CB) [> 3.2556 = 5.4260 < 7.0537] w=0.2789 to align # Constraint # added constraint: constraint((T0385)I70.CB, (T0385)I82.CB) [> 4.3084 = 7.1807 < 9.3350] w=0.2773 to align # Constraint # added constraint: constraint((T0385)P90.CB, (T0385)L102.CB) [> 4.1320 = 6.8866 < 8.9526] w=0.2566 to align # Constraint # added constraint: constraint((T0385)A35.CB, (T0385)P90.CB) [> 4.0463 = 6.7438 < 8.7670] w=0.2533 to align # Constraint # added constraint: constraint((T0385)V51.CB, (T0385)V147.CB) [> 4.1993 = 6.9988 < 9.0984] w=0.2486 to align # Constraint # added constraint: constraint((T0385)Y38.CB, (T0385)M91.CB) [> 3.7347 = 6.2245 < 8.0919] w=0.2486 to align # Constraint # added constraint: constraint((T0385)C27.CB, (T0385)I82.CB) [> 4.5498 = 7.5831 < 9.8580] w=0.2433 to align # Constraint # added constraint: constraint((T0385)D28.CB, (T0385)V117.CB) [> 4.4743 = 7.4572 < 9.6944] w=0.2414 to align # Constraint # added constraint: constraint((T0385)V69.CB, (T0385)A133.CB) [> 4.5526 = 7.5876 < 9.8639] w=0.2394 to align # Constraint # added constraint: constraint((T0385)H34.CB, (T0385)I82.CB) [> 4.3879 = 7.3131 < 9.5071] w=0.2388 to align # Constraint # added constraint: constraint((T0385)D68.CB, (T0385)T132.CB) [> 4.4439 = 7.4066 < 9.6285] w=0.2369 to align # Constraint # added constraint: constraint((T0385)M91.CB, (T0385)L102.CB) [> 3.9558 = 6.5931 < 8.5710] w=0.2359 to align # Constraint # added constraint: constraint((T0385)I42.CB, (T0385)N52.CB) [> 3.5839 = 5.9731 < 7.7651] w=0.2357 to align # Constraint # added constraint: constraint((T0385)L30.CB, (T0385)P81.CB) [> 4.0284 = 6.7140 < 8.7282] w=0.2347 to align # Constraint # added constraint: constraint((T0385)S17.CB, (T0385)G77.CA) [> 3.7123 = 6.1872 < 8.0433] w=0.2295 to align # Constraint # added constraint: constraint((T0385)A31.CB, (T0385)A84.CB) [> 3.4566 = 5.7610 < 7.4893] w=0.2204 to align # Constraint # added constraint: constraint((T0385)Y38.CB, (T0385)L89.CB) [> 3.8942 = 6.4904 < 8.4375] w=0.2189 to align # Constraint # added constraint: constraint((T0385)I42.CB, (T0385)V51.CB) [> 3.7016 = 6.1694 < 8.0202] w=0.2094 to align # Constraint # added constraint: constraint((T0385)A25.CB, (T0385)A113.CB) [> 4.3166 = 7.1943 < 9.3526] w=0.2090 to align # Constraint # added constraint: constraint((T0385)V69.CB, (T0385)F129.CB) [> 4.3269 = 7.2116 < 9.3750] w=0.2076 to align # Constraint # added constraint: constraint((T0385)L54.CB, (T0385)V147.CB) [> 4.4116 = 7.3526 < 9.5584] w=0.2047 to align # Constraint # added constraint: constraint((T0385)V32.CB, (T0385)M106.CB) [> 4.6912 = 7.8186 < 10.1642] w=0.1860 to align # Constraint # added constraint: constraint((T0385)A45.CB, (T0385)A99.CB) [> 4.3101 = 7.1836 < 9.3386] w=0.1846 to align # Constraint # added constraint: constraint((T0385)A29.CB, (T0385)A130.CB) [> 4.4159 = 7.3598 < 9.5677] w=0.1844 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)Q88.CB) [> 2.8036 = 4.6726 < 6.0744] w=0.1773 to align # Constraint # added constraint: constraint((T0385)H34.CB, (T0385)P81.CB) [> 3.8593 = 6.4321 < 8.3617] w=0.1697 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)S131.CB) [> 4.2668 = 7.1114 < 9.2448] w=0.1690 to align # Constraint # added constraint: constraint((T0385)P16.CB, (T0385)G77.CA) [> 3.2361 = 5.3934 < 7.0114] w=0.1626 to align # Constraint # added constraint: constraint((T0385)P12.CB, (T0385)G77.CA) [> 2.4857 = 4.1427 < 5.3856] w=0.1614 to align # Constraint # added constraint: constraint((T0385)A35.CB, (T0385)L89.CB) [> 4.2614 = 7.1023 < 9.2330] w=0.1577 to align # Constraint # added constraint: constraint((T0385)I42.CB, (T0385)P90.CB) [> 4.5541 = 7.5901 < 9.8672] w=0.1507 to align # Constraint # added constraint: constraint((T0385)G19.CA, (T0385)R76.CB) [> 4.0700 = 6.7833 < 8.8182] w=0.1440 to align # Constraint # added constraint: constraint((T0385)W114.CB, (T0385)R127.CB) [> 3.6584 = 6.0974 < 7.9266] w=0.1384 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)R127.CB) [> 3.5014 = 5.8356 < 7.5863] w=0.1384 to align # Constraint # added constraint: constraint((T0385)G41.CA, (T0385)V93.CB) [> 4.3476 = 7.2460 < 9.4197] w=0.1377 to align # Constraint # added constraint: constraint((T0385)Q88.CB, (T0385)M106.CB) [> 4.2922 = 7.1537 < 9.2998] w=0.1348 to align # Constraint # added constraint: constraint((T0385)A35.CB, (T0385)M91.CB) [> 4.2127 = 7.0211 < 9.1275] w=0.1338 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)Y87.CB) [> 3.7209 = 6.2014 < 8.0619] w=0.1297 to align # Constraint # added constraint: constraint((T0385)C27.CB, (T0385)R76.CB) [> 3.3147 = 5.5245 < 7.1818] w=0.1264 to align # Constraint # added constraint: constraint((T0385)L30.CB, (T0385)V117.CB) [> 4.3962 = 7.3269 < 9.5250] w=0.1264 to align # Constraint # added constraint: constraint((T0385)Q92.CB, (T0385)L102.CB) [> 3.9079 = 6.5132 < 8.4672] w=0.1238 to align # Constraint # added constraint: constraint((T0385)S15.CB, (T0385)A24.CB) [> 2.8814 = 4.8023 < 6.2429] w=0.1230 to align # Constraint # added constraint: constraint((T0385)L89.CB, (T0385)L102.CB) [> 4.0964 = 6.8273 < 8.8755] w=0.1187 to align # Constraint # added constraint: constraint((T0385)A35.CB, (T0385)A84.CB) [> 3.0672 = 5.1120 < 6.6456] w=0.1162 to align # Constraint # added constraint: constraint((T0385)Y87.CB, (T0385)G110.CA) [> 4.3733 = 7.2889 < 9.4756] w=0.1141 to align # Constraint # added constraint: constraint((T0385)Y87.CB, (T0385)D109.CB) [> 3.5203 = 5.8672 < 7.6273] w=0.1141 to align # Constraint # added constraint: constraint((T0385)M72.CB, (T0385)A130.CB) [> 4.6046 = 7.6743 < 9.9766] w=0.1138 to align # Constraint # added constraint: constraint((T0385)A96.CB, (T0385)L148.CB) [> 4.7188 = 7.8646 < 10.2240] w=0.1122 to align # Constraint # added constraint: constraint((T0385)E33.CB, (T0385)A113.CB) [> 3.6560 = 6.0933 < 7.9213] w=0.1090 to align # Constraint # added constraint: constraint((T0385)A29.CB, (T0385)A121.CB) [> 4.4979 = 7.4966 < 9.7456] w=0.1090 to align # Constraint # added constraint: constraint((T0385)V71.CB, (T0385)A80.CB) [> 4.6418 = 7.7364 < 10.0573] w=0.1090 to align # Constraint # added constraint: constraint((T0385)I70.CB, (T0385)P81.CB) [> 4.7120 = 7.8533 < 10.2093] w=0.1090 to align # Constraint # added constraint: constraint((T0385)I37.CB, (T0385)S137.CB) [> 4.7725 = 7.9541 < 10.3403] w=0.1090 to align # Constraint # added constraint: constraint((T0385)I37.CB, (T0385)G110.CA) [> 4.4914 = 7.4857 < 9.7314] w=0.1090 to align # Constraint # added constraint: constraint((T0385)T36.CB, (T0385)A113.CB) [> 4.2457 = 7.0762 < 9.1990] w=0.1090 to align # Constraint # added constraint: constraint((T0385)H34.CB, (T0385)L73.CB) [> 4.0904 = 6.8173 < 8.8625] w=0.1090 to align # Constraint # added constraint: constraint((T0385)V43.CB, (T0385)M91.CB) [> 4.4595 = 7.4325 < 9.6622] w=0.1052 to align # Constraint # added constraint: constraint((T0385)E107.CB, (T0385)N145.CB) [> 3.6822 = 6.1370 < 7.9781] w=0.1049 to align # Constraint # added constraint: constraint((T0385)G39.CA, (T0385)Q92.CB) [> 3.9815 = 6.6359 < 8.6266] w=0.1032 to align # Constraint # added constraint: constraint((T0385)A21.CB, (T0385)A124.CB) [> 3.6788 = 6.1314 < 7.9708] w=0.0993 to align # Constraint # added constraint: constraint((T0385)V32.CB, (T0385)A85.CB) [> 3.1887 = 5.3144 < 6.9088] w=0.0980 to align # Constraint # added constraint: constraint((T0385)A29.CB, (T0385)A133.CB) [> 4.5236 = 7.5394 < 9.8012] w=0.0966 to align # Constraint # added constraint: constraint((T0385)Q88.CB, (T0385)R105.CB) [> 4.0455 = 6.7425 < 8.7652] w=0.0933 to align # Constraint # added constraint: constraint((T0385)S95.CB, (T0385)L148.CB) [> 4.4889 = 7.4815 < 9.7259] w=0.0930 to align # Constraint # added constraint: constraint((T0385)L89.CB, (T0385)M106.CB) [> 3.6699 = 6.1165 < 7.9514] w=0.0912 to align # Constraint # added constraint: constraint((T0385)I70.CB, (T0385)L89.CB) [> 4.3485 = 7.2475 < 9.4217] w=0.0848 to align # Constraint # added constraint: constraint((T0385)M91.CB, (T0385)M106.CB) [> 3.6903 = 6.1505 < 7.9956] w=0.0827 to align # Constraint # added constraint: constraint((T0385)A100.CB, (T0385)N145.CB) [> 4.5006 = 7.5010 < 9.7513] w=0.0786 to align # Constraint # added constraint: constraint((T0385)D28.CB, (T0385)A85.CB) [> 3.9563 = 6.5939 < 8.5721] w=0.0774 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)A130.CB) [> 2.5500 = 4.2500 < 5.5249] w=0.0759 to align # Constraint # added constraint: constraint((T0385)G110.CA, (T0385)A130.CB) [> 4.1185 = 6.8642 < 8.9234] w=0.0759 to align # Constraint # added constraint: constraint((T0385)D28.CB, (T0385)L89.CB) [> 3.8117 = 6.3528 < 8.2587] w=0.0750 to align # Constraint # added constraint: constraint((T0385)A10.CB, (T0385)G77.CA) [> 4.0606 = 6.7676 < 8.7979] w=0.0748 to align # Constraint # added constraint: constraint((T0385)R65.CB, (T0385)F129.CB) [> 4.2336 = 7.0560 < 9.1728] w=0.0737 to align # Constraint # added constraint: constraint((T0385)T11.CB, (T0385)T79.CB) [> 4.3241 = 7.2069 < 9.3689] w=0.0727 to align # Constraint # added constraint: constraint((T0385)P12.CB, (T0385)P81.CB) [> 4.7652 = 7.9420 < 10.3246] w=0.0727 to align # Constraint # added constraint: constraint((T0385)Y87.CB, (T0385)R105.CB) [> 4.5127 = 7.5212 < 9.7775] w=0.0727 to align # Constraint # added constraint: constraint((T0385)A97.CB, (T0385)T142.CB) [> 4.0181 = 6.6969 < 8.7060] w=0.0626 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)S131.CB) [> 4.0149 = 6.6915 < 8.6989] w=0.0626 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)T135.CB) [> 3.8683 = 6.4472 < 8.3814] w=0.0626 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)V128.CB) [> 4.6006 = 7.6676 < 9.9679] w=0.0626 to align # Constraint # added constraint: constraint((T0385)A96.CB, (T0385)V147.CB) [> 4.1105 = 6.8508 < 8.9061] w=0.0622 to align # Constraint # added constraint: constraint((T0385)H34.CB, (T0385)A83.CB) [> 4.2988 = 7.1647 < 9.3141] w=0.0606 to align # Constraint # added constraint: constraint((T0385)H34.CB, (T0385)Y87.CB) [> 3.5544 = 5.9240 < 7.7012] w=0.0569 to align # Constraint # added constraint: constraint((T0385)A24.CB, (T0385)H120.CB) [> 4.7556 = 7.9261 < 10.3039] w=0.0569 to align # Constraint # added constraint: constraint((T0385)A21.CB, (T0385)A121.CB) [> 4.6624 = 7.7706 < 10.1018] w=0.0569 to align # Constraint # added constraint: constraint((T0385)L73.CB, (T0385)M91.CB) [> 3.9688 = 6.6147 < 8.5991] w=0.0566 to align # Constraint # added constraint: constraint((T0385)P81.CB, (T0385)P90.CB) [> 3.6445 = 6.0742 < 7.8964] w=0.0566 to align # Constraint # added constraint: constraint((T0385)K13.CB, (T0385)G77.CA) [> 3.8619 = 6.4366 < 8.3675] w=0.0553 to align # Constraint # added constraint: constraint((T0385)W114.CB, (T0385)A138.CB) [> 3.7021 = 6.1702 < 8.0213] w=0.0535 to align # Constraint # added constraint: constraint((T0385)A25.CB, (T0385)A85.CB) [> 3.8340 = 6.3900 < 8.3070] w=0.0414 to align # Constraint # added constraint: constraint((T0385)A24.CB, (T0385)A85.CB) [> 4.7846 = 7.9743 < 10.3666] w=0.0414 to align # Constraint # added constraint: constraint((T0385)A21.CB, (T0385)A80.CB) [> 4.2955 = 7.1592 < 9.3069] w=0.0414 to align # Constraint # added constraint: constraint((T0385)A21.CB, (T0385)R76.CB) [> 4.1694 = 6.9490 < 9.0338] w=0.0414 to align # Constraint # added constraint: constraint((T0385)Y87.CB, (T0385)A116.CB) [> 4.5446 = 7.5744 < 9.8467] w=0.0414 to align # Constraint # added constraint: constraint((T0385)Y87.CB, (T0385)T112.CB) [> 4.5952 = 7.6587 < 9.9563] w=0.0414 to align # Constraint # added constraint: constraint((T0385)A85.CB, (T0385)A116.CB) [> 3.1717 = 5.2862 < 6.8721] w=0.0414 to align # Constraint # added constraint: constraint((T0385)A25.CB, (T0385)Y87.CB) [> 4.5931 = 7.6551 < 9.9517] w=0.0414 to align # Constraint # added constraint: constraint((T0385)V32.CB, (T0385)P90.CB) [> 3.4151 = 5.6919 < 7.3995] w=0.0414 to align # Constraint # added constraint: constraint((T0385)V78.CB, (T0385)H120.CB) [> 3.8519 = 6.4198 < 8.3458] w=0.0414 to align # Constraint # added constraint: constraint((T0385)V78.CB, (T0385)E122.CB) [> 4.5605 = 7.6007 < 9.8810] w=0.0414 to align # Constraint # added constraint: constraint((T0385)A80.CB, (T0385)E119.CB) [> 4.3220 = 7.2033 < 9.3643] w=0.0414 to align # Constraint # added constraint: constraint((T0385)A80.CB, (T0385)H120.CB) [> 2.7401 = 4.5669 < 5.9370] w=0.0414 to align # Constraint # added constraint: constraint((T0385)M91.CB, (T0385)R105.CB) [> 3.7584 = 6.2641 < 8.1433] w=0.0413 to align # Constraint # added constraint: constraint((T0385)L46.CB, (T0385)S94.CB) [> 3.7266 = 6.2110 < 8.0743] w=0.0409 to align # Constraint # added constraint: constraint((T0385)A10.CB, (T0385)R76.CB) [> 4.0779 = 6.7965 < 8.8354] w=0.0363 to align # Constraint # added constraint: constraint((T0385)A10.CB, (T0385)V78.CB) [> 2.7994 = 4.6656 < 6.0653] w=0.0363 to align # Constraint # added constraint: constraint((T0385)T11.CB, (T0385)N23.CB) [> 4.5328 = 7.5547 < 9.8211] w=0.0363 to align # Constraint # added constraint: constraint((T0385)T11.CB, (T0385)G77.CA) [> 2.6847 = 4.4746 < 5.8169] w=0.0363 to align # Constraint # added constraint: constraint((T0385)A10.CB, (T0385)A24.CB) [> 2.4253 = 4.0422 < 5.2549] w=0.0363 to align # Constraint # added constraint: constraint((T0385)A10.CB, (T0385)S20.CB) [> 3.3829 = 5.6381 < 7.3296] w=0.0363 to align # Constraint # added constraint: constraint((T0385)G9.CA, (T0385)G77.CA) [> 4.7537 = 7.9228 < 10.2997] w=0.0363 to align # Constraint # added constraint: constraint((T0385)G9.CA, (T0385)A24.CB) [> 4.6012 = 7.6686 < 9.9692] w=0.0363 to align # Constraint # added constraint: constraint((T0385)A7.CB, (T0385)T79.CB) [> 2.9503 = 4.9171 < 6.3923] w=0.0363 to align # Constraint # added constraint: constraint((T0385)A121.CB, (T0385)S131.CB) [> 3.2171 = 5.3618 < 6.9704] w=0.0355 to align # Constraint # added constraint: constraint((T0385)E107.CB, (T0385)T142.CB) [> 2.7095 = 4.5158 < 5.8706] w=0.0354 to align # Constraint # added constraint: constraint((T0385)N108.CB, (T0385)T142.CB) [> 3.4561 = 5.7602 < 7.4882] w=0.0354 to align # Constraint # added constraint: constraint((T0385)G110.CA, (T0385)A138.CB) [> 3.5681 = 5.9468 < 7.7309] w=0.0354 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)V139.CB) [> 3.7966 = 6.3277 < 8.2261] w=0.0354 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)T142.CB) [> 3.5778 = 5.9630 < 7.7518] w=0.0354 to align # Constraint # added constraint: constraint((T0385)V118.CB, (T0385)T135.CB) [> 3.8437 = 6.4061 < 8.3280] w=0.0354 to align # Constraint # added constraint: constraint((T0385)V55.CB, (T0385)R143.CB) [> 4.1744 = 6.9573 < 9.0445] w=0.0347 to align # Constraint # added constraint: constraint((T0385)G110.CA, (T0385)L134.CB) [> 4.7883 = 7.9805 < 10.3747] w=0.0347 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)M140.CB) [> 4.5349 = 7.5582 < 9.8257] w=0.0347 to align # Constraint # added constraint: constraint((T0385)D28.CB, (T0385)P90.CB) [> 4.6623 = 7.7706 < 10.1017] w=0.0335 to align # Constraint # added constraint: constraint((T0385)S44.CB, (T0385)V93.CB) [> 4.7226 = 7.8709 < 10.2322] w=0.0305 to align # Constraint # added constraint: constraint((T0385)G77.CA, (T0385)S95.CB) [> 4.4333 = 7.3889 < 9.6055] w=0.0283 to align # Constraint # added constraint: constraint((T0385)D28.CB, (T0385)A80.CB) [> 4.4600 = 7.4333 < 9.6633] w=0.0207 to align # Constraint # added constraint: constraint((T0385)Y87.CB, (T0385)D98.CB) [> 4.6206 = 7.7010 < 10.0114] w=0.0207 to align # Constraint # added constraint: constraint((T0385)V78.CB, (T0385)T112.CB) [> 4.6704 = 7.7840 < 10.1192] w=0.0207 to align # Constraint # added constraint: constraint((T0385)G77.CA, (T0385)T112.CB) [> 3.8626 = 6.4377 < 8.3690] w=0.0207 to align # Constraint # added constraint: constraint((T0385)S44.CB, (T0385)I153.CB) [> 3.3340 = 5.5566 < 7.2236] w=0.0202 to align # Constraint # added constraint: constraint((T0385)N52.CB, (T0385)I153.CB) [> 2.8969 = 4.8282 < 6.2767] w=0.0202 to align # Constraint # added constraint: constraint((T0385)F53.CB, (T0385)A155.CB) [> 3.0882 = 5.1470 < 6.6911] w=0.0202 to align # Constraint # added constraint: constraint((T0385)A56.CB, (T0385)A155.CB) [> 3.1177 = 5.1961 < 6.7549] w=0.0202 to align # Constraint # added constraint: constraint((T0385)A35.CB, (T0385)I82.CB) [> 4.4324 = 7.3873 < 9.6035] w=0.0192 to align # Constraint # added constraint: constraint((T0385)R76.CB, (T0385)F129.CB) [> 4.1272 = 6.8787 < 8.9424] w=0.0181 to align # Constraint # added constraint: constraint((T0385)R115.CB, (T0385)A138.CB) [> 4.5894 = 7.6491 < 9.9438] w=0.0181 to align # Constraint # added constraint: constraint((T0385)V118.CB, (T0385)A138.CB) [> 4.2596 = 7.0994 < 9.2292] w=0.0181 to align # Constraint # added constraint: constraint((T0385)E122.CB, (T0385)S131.CB) [> 3.1837 = 5.3062 < 6.8980] w=0.0181 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)T142.CB) [> 3.8633 = 6.4388 < 8.3704] w=0.0180 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)R146.CB) [> 4.0244 = 6.7073 < 8.7195] w=0.0180 to align # Constraint # added constraint: constraint((T0385)P16.CB, (T0385)S74.CB) [> 2.3750 = 3.9583 < 5.1458] w=0.0173 to align # Constraint # added constraint: constraint((T0385)W114.CB, (T0385)T132.CB) [> 4.7456 = 7.9093 < 10.2820] w=0.0173 to align # Constraint # added constraint: constraint((T0385)A111.CB, (T0385)T135.CB) [> 3.6719 = 6.1198 < 7.9557] w=0.0173 to align # Constraint # added constraint: constraint((T0385)G110.CA, (T0385)T142.CB) [> 4.6989 = 7.8315 < 10.1809] w=0.0173 to align # Constraint # added constraint: constraint((T0385)G50.CA, (T0385)V147.CB) [> 3.7922 = 6.3204 < 8.2165] w=0.0168 to align # Constraint # added constraint: constraint((T0385)V51.CB, (T0385)W151.CB) [> 3.5224 = 5.8707 < 7.6319] w=0.0168 to align # Constraint # added constraint: constraint((T0385)V51.CB, (T0385)I153.CB) [> 4.2104 = 7.0174 < 9.1226] w=0.0168 to align # Constraint # added constraint: constraint((T0385)L54.CB, (T0385)W151.CB) [> 3.7439 = 6.2399 < 8.1118] w=0.0168 to align # Constraint # added constraint: constraint((T0385)A96.CB, (T0385)I153.CB) [> 3.3972 = 5.6620 < 7.3605] w=0.0168 to align # Constraint # added constraint: constraint((T0385)V104.CB, (T0385)G149.CA) [> 4.1465 = 6.9108 < 8.9841] w=0.0168 to align # Constraint # added constraint: constraint((T0385)R76.CB, (T0385)S131.CB) [> 4.5197 = 7.5328 < 9.7927] w=0.0141 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0385/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0385/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # 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 154 # 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 151 # 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 131 # 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 155 # 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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 23 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 157 # 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 T0385 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 T0385 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 T0385 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 T0385 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 157 # 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 161 # 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 161 # 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 T0385 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # 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 132 # 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 80 # 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 47 # 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 119 # 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 T0385 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 Skipped atom 101, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 105, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 107, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 101, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 103, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 105, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 107, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0385 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 T0385 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 T0385 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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 218, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 458, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 460, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 462, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 464, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 502, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 504, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 542, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 544, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 578, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 580, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 582, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 584, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 161 # 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 92 # 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 70 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 94, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # 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 40 # 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 # 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 # 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 88 # 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 47 # 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 77 # 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 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 159 # 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 161 # 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 159 # 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 156 # 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 160 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 106 # 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 142 # 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 149 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 25 < previous residue 162 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 145 # 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 152 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 127 # 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 T0385 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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 150 # 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 124 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 38 # 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 157 # 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 158 # 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 123 # 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 156 # 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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 38 # 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 # 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 147 # 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 145 # 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 124 # 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 93 # 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 150 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 218, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 238, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 240, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0385 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 Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 74, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 166, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 168, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 518, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 520, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # 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 T0385 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 T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 84 # 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 87 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 12 # 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 # Found a chain break before 20 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 5 # 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 152 # 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 218, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0385 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 T0385 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 T0385 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 2, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0385 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 T0385 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 87 # 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 157 # 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 155 # 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 155 # 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 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # 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 161 # 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 T0385 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 Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 24 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 120 # 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 140 # 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 89 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)A10.O and (T0385)T11.N only 0.000 apart, marking (T0385)T11.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)W151.O and (T0385)P152.N only 0.000 apart, marking (T0385)P152.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)R105.O and (T0385)M106.N only 0.000 apart, marking (T0385)M106.N as missing WARNING: atoms too close: (T0385)A150.O and (T0385)W151.N only 0.000 apart, marking (T0385)W151.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # 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 WARNING: atoms too close: (T0385)A35.O and (T0385)T36.N only 0.000 apart, marking (T0385)T36.N as missing WARNING: atoms too close: (T0385)V93.O and (T0385)S94.N only 0.000 apart, marking (T0385)S94.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0385)P158.O and (T0385)G159.N only 0.000 apart, marking (T0385)G159.N as missing # WARNING: incomplete conformation T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0385 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 T0385 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 T0385 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 T0385 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 T0385 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 T0385 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 258 model score 0.2652 model score 0.4069 model score 0.3955 model score 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score -0.2597 model score 0.3593 model score 0.5045 model score 0.6268 model score 1.2771 model score 1.2771 model score 1.2766 model score 1.2768 model score 1.2768 model score 1.2771 model score 1.2771 model score 1.2768 model score 1.2768 model score 1.2771 model score 1.9624 model score 2.3924 model score 2.1803 model score 2.0846 model score 2.3368 model score 1.8655 model score 0.1331 model score -0.4069 model score -0.4031 model score 0.1808 model score 1.2774 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.2102 model score -0.1645 model score -0.2216 model score -0.3050 model score -0.3262 model score 0.9299 model score 1.6540 model score 1.1632 model score 0.8848 model score 1.9683 model score -0.3664 model score -0.3007 model score -0.3576 model score -0.2112 model score -0.2766 model score -0.0850 model score -0.1241 model score -0.1241 model score 1.2664 model score 0.0831 model score 0.3100 model score 1.6478 model score 1.6540 model score 0.2094 model score 0.2162 model score 0.2574 model score 0.5736 model score 0.2415 model score 1.2771 model score -0.2480 model score -0.0313 model score -0.0116 model score 0.0052 model score -0.1003 model score -0.1410 model score -0.2280 model score -0.0213 model score 0.0039 model score -0.0442 model score -0.3166 model score -0.2994 model score -0.3297 model score -0.3188 model score -0.3169 model score -0.2465 model score 2.0711 model score 2.0927 model score 2.1694 model score 1.7029 model score 2.2045 model score -0.2333 model score -0.2669 model score -0.2144 model score -0.2502 model score -0.2508 model score -0.3305 model score -0.2636 model score -0.2090 model score -0.2307 model score -0.2136 model score -0.3560 model score -0.3095 model score -0.4608 model score -0.3692 model score -0.2462 model score 1.2618 model score 0.3209 model score 2.1615 model score 2.1428 model score 2.1782 model score 1.2905 model score -0.3226 model score -0.3530 model score -0.4285 model score -0.3507 model score -0.2411 model score -0.4201 model score -0.4338 model score -0.4203 model score -0.3027 model score -0.2434 model score -0.2367 model score -0.1922 model score -0.1586 model score -0.1979 model score -0.1699 model score -0.2573 model score -0.2952 model score -0.2318 model score -0.2572 model score -0.1741 model score -0.3614 model score -0.3507 model score -0.4285 model score -0.3226 model score -0.3530 model score 0.2336 model score -0.0289 model score 0.1085 model score 1.2771 model score 1.2770 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.0657 model score -0.2847 model score -0.3692 model score 0.0940 model score 0.1643 model score -0.2142 model score -0.1070 model score -0.2825 model score 0.1417 model score -0.3033 model score -0.2269 model score -0.2802 model score -0.0528 model score -0.3213 model score 0.1204 model score -0.0846 model score -0.2750 model score -0.1820 model score -0.2142 model score -0.1675 model score 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-0.4608 max: 2.3924 weight: 0.8339 eval: 0.0657 min: -0.4608 max: 2.3924 weight: 0.9444 eval: -0.2847 min: -0.4608 max: 2.3924 weight: 0.9711 eval: -0.3692 min: -0.4608 max: 2.3924 weight: 0.8250 eval: 0.0940 min: -0.4608 max: 2.3924 weight: 0.8028 eval: 0.1643 min: -0.4608 max: 2.3924 weight: 0.9222 eval: -0.2142 min: -0.4608 max: 2.3924 weight: 0.8884 eval: -0.1070 min: -0.4608 max: 2.3924 weight: 0.9438 eval: -0.2825 min: -0.4608 max: 2.3924 weight: 0.8099 eval: 0.1417 min: -0.4608 max: 2.3924 weight: 0.9503 eval: -0.3033 min: -0.4608 max: 2.3924 weight: 0.9262 eval: -0.2269 min: -0.4608 max: 2.3924 weight: 0.9430 eval: -0.2802 min: -0.4608 max: 2.3924 weight: 0.8713 eval: -0.0528 min: -0.4608 max: 2.3924 weight: 0.9560 eval: -0.3213 min: -0.4608 max: 2.3924 weight: 0.8167 eval: 0.1204 min: -0.4608 max: 2.3924 weight: 0.8813 eval: -0.0846 min: -0.4608 max: 2.3924 weight: 0.9414 eval: -0.2750 min: -0.4608 max: 2.3924 weight: 0.9120 eval: -0.1820 min: -0.4608 max: 2.3924 weight: 0.9222 eval: -0.2142 min: -0.4608 max: 2.3924 weight: 0.9075 eval: -0.1675 min: -0.4608 max: 2.3924 weight: 0.4517 eval: 1.2774 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.9596 eval: -0.3328 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.9497 eval: -0.3014 min: -0.4608 max: 2.3924 weight: 0.9569 eval: -0.3241 min: -0.4608 max: 2.3924 weight: 0.9492 eval: -0.2997 min: -0.4608 max: 2.3924 weight: 0.9349 eval: -0.2545 min: -0.4608 max: 2.3924 weight: 0.9532 eval: -0.3126 min: -0.4608 max: 2.3924 weight: 0.9514 eval: -0.3068 min: -0.4608 max: 2.3924 weight: 0.9481 eval: -0.2962 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4520 eval: 1.2765 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.4518 eval: 1.2771 min: -0.4608 max: 2.3924 weight: 0.9280 eval: -0.2326 min: -0.4608 max: 2.3924 weight: 0.7550 eval: 0.3159 min: -0.4608 max: 2.3924 weight: 0.9065 eval: -0.1646 min: -0.4608 max: 2.3924 weight: 0.8684 eval: -0.0437 min: -0.4608 max: 2.3924 weight: 0.8781 eval: -0.0744 min: -0.4608 max: 2.3924 weight: 0.2779 eval: 1.8283 min: -0.4608 max: 2.3924 weight: 0.2524 eval: 1.9092 min: -0.4608 max: 2.3924 weight: 0.1916 eval: 2.1019 min: -0.4608 max: 2.3924 weight: 0.3370 eval: 1.6409 min: -0.4608 max: 2.3924 weight: 0.3347 eval: 1.6484 min: -0.4608 max: 2.3924 weight: 0.9334 eval: -0.2497 min: -0.4608 max: 2.3924 weight: 0.9059 eval: -0.1624 min: -0.4608 max: 2.3924 weight: 0.9375 eval: -0.2628 min: -0.4608 max: 2.3924 weight: 0.9421 eval: -0.2772 min: -0.4608 max: 2.3924 weight: 0.9059 eval: -0.1624 min: -0.4608 max: 2.3924 weight: 0.9366 eval: -0.2598 min: -0.4608 max: 2.3924 weight: 0.9398 eval: -0.2700 min: -0.4608 max: 2.3924 weight: 0.9398 eval: -0.2700 min: -0.4608 max: 2.3924 weight: 0.9449 eval: -0.2863 min: -0.4608 max: 2.3924 weight: 0.9208 eval: -0.2097 min: -0.4608 max: 2.3924 weight: 0.9446 eval: -0.2852 min: -0.4608 max: 2.3924 weight: 0.9324 eval: -0.2465 min: -0.4608 max: 2.3924 weight: 0.9482 eval: -0.2966 min: -0.4608 max: 2.3924 weight: 0.9444 eval: -0.2847 min: -0.4608 max: 2.3924 weight: 0.9914 eval: -0.4334 min: -0.4608 max: 2.3924 weight: 0.8779 eval: -0.0739 min: -0.4608 max: 2.3924 weight: 0.4165 eval: 1.3891 min: -0.4608 max: 2.3924 weight: 0.9766 eval: -0.3866 min: -0.4608 max: 2.3924 Adding 6180 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: -310.9841, CN propb: -310.9841 weights: 0.3371 constraints: 390 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 390 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 390 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 5790 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 5790 # 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 6180 # command: