# 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/T0324/ # command:# Making conformation for sequence T0324 numbered 1 through 208 Created new target T0324 from T0324.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0324/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0324//projects/compbio/experiments/protein-predict/casp7/T0324/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0324//projects/compbio/experiments/protein-predict/casp7/T0324/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0324/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0324/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((T0324)M7.CB, (T0324)I160.CB) [> 4.2811 = 7.1351 < 9.2757] w=1.0000 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)F159.CB) [> 2.8756 = 4.7926 < 6.2304] w=1.0000 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)L158.CB) [> 4.1660 = 6.9434 < 9.0264] w=1.0000 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)L158.CB) [> 2.9630 = 4.9383 < 6.4198] w=1.0000 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)D162.CB) [> 3.0601 = 5.1002 < 6.6303] w=0.9857 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)G161.CA) [> 2.8803 = 4.8005 < 6.2407] w=0.9857 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)I160.CB) [> 3.5905 = 5.9842 < 7.7795] w=0.9857 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)D162.CB) [> 2.8540 = 4.7566 < 6.1836] w=0.9857 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)I160.CB) [> 4.1027 = 6.8377 < 8.8891] w=0.9787 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)A157.CB) [> 3.6872 = 6.1453 < 7.9889] w=0.9765 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)A157.CB) [> 4.4211 = 7.3685 < 9.5790] w=0.9765 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)L158.CB) [> 4.3597 = 7.2662 < 9.4461] w=0.9712 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)N156.CB) [> 3.8708 = 6.4513 < 8.3867] w=0.9555 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)A157.CB) [> 2.8143 = 4.6905 < 6.0977] w=0.9555 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)G178.CA) [> 3.9077 = 6.5129 < 8.4668] w=0.9218 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)G178.CA) [> 3.9858 = 6.6430 < 8.6359] w=0.9218 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)A170.CB) [> 2.6440 = 4.4067 < 5.7287] w=0.9127 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)N156.CB) [> 2.6746 = 4.4576 < 5.7949] w=0.8985 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)G101.CA) [> 3.1916 = 5.3193 < 6.9151] w=0.8930 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)G101.CA) [> 4.1181 = 6.8635 < 8.9225] w=0.8930 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)L100.CB) [> 3.2381 = 5.3968 < 7.0158] w=0.8930 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)L98.CB) [> 3.4199 = 5.6999 < 7.4099] w=0.8930 to align # Constraint # added constraint: constraint((T0324)L143.CB, (T0324)T169.CB) [> 3.4468 = 5.7446 < 7.4680] w=0.8842 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)V150.CB) [> 3.3960 = 5.6601 < 7.3581] w=0.8842 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)F177.CB) [> 3.2104 = 5.3506 < 6.9558] w=0.8790 to align # Constraint # added constraint: constraint((T0324)F91.CB, (T0324)L100.CB) [> 3.6669 = 6.1115 < 7.9449] w=0.8788 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)R99.CB) [> 4.3633 = 7.2721 < 9.4537] w=0.8716 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)R99.CB) [> 2.6481 = 4.4135 < 5.7375] w=0.8642 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)V152.CB) [> 2.9584 = 4.9307 < 6.4099] w=0.8628 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)L94.CB) [> 3.5396 = 5.8992 < 7.6690] w=0.8574 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)I87.CB) [> 3.2557 = 5.4262 < 7.0541] w=0.8574 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)A157.CB) [> 4.3312 = 7.2186 < 9.3842] w=0.8557 to align # Constraint # added constraint: constraint((T0324)L147.CB, (T0324)A157.CB) [> 3.7403 = 6.2337 < 8.1039] w=0.8557 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)G178.CA) [> 3.2273 = 5.3788 < 6.9924] w=0.8506 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)A180.CB) [> 3.4439 = 5.7398 < 7.4617] w=0.8505 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)V103.CB) [> 3.2349 = 5.3914 < 7.0089] w=0.8502 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)L98.CB) [> 3.8609 = 6.4349 < 8.3653] w=0.8485 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)A180.CB) [> 3.5866 = 5.9776 < 7.7709] w=0.8433 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)D176.CB) [> 2.8380 = 4.7300 < 6.1491] w=0.8365 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)T104.CB) [> 4.1166 = 6.8610 < 8.9193] w=0.8359 to align # Constraint # added constraint: constraint((T0324)L143.CB, (T0324)A173.CB) [> 2.9845 = 4.9741 < 6.4663] w=0.8341 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)G178.CA) [> 3.9794 = 6.6323 < 8.6220] w=0.8292 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)D162.CB) [> 3.7923 = 6.3205 < 8.2166] w=0.8288 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)G161.CA) [> 2.4229 = 4.0382 < 5.2496] w=0.8288 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)I160.CB) [> 3.9380 = 6.5634 < 8.5324] w=0.8288 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)G161.CA) [> 4.2661 = 7.1102 < 9.2432] w=0.8288 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)I160.CB) [> 3.1031 = 5.1719 < 6.7235] w=0.8288 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)G101.CA) [> 4.2944 = 7.1574 < 9.3047] w=0.8285 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)A146.CB) [> 3.6759 = 6.1265 < 7.9645] w=0.8200 to align # Constraint # added constraint: constraint((T0324)A157.CB, (T0324)D176.CB) [> 4.0447 = 6.7411 < 8.7635] w=0.8199 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)L179.CB) [> 3.7898 = 6.3163 < 8.2113] w=0.8148 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)L100.CB) [> 4.4401 = 7.4002 < 9.6202] w=0.8142 to align # Constraint # added constraint: constraint((T0324)P140.CB, (T0324)T169.CB) [> 3.4529 = 5.7548 < 7.4812] w=0.8129 to align # Constraint # added constraint: constraint((T0324)P154.CB, (T0324)N174.CB) [> 2.8576 = 4.7626 < 6.1914] w=0.8129 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)F177.CB) [> 4.3333 = 7.2221 < 9.3888] w=0.8112 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)R99.CB) [> 4.0303 = 6.7171 < 8.7323] w=0.8072 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)L98.CB) [> 3.6605 = 6.1008 < 7.9310] w=0.8072 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)T104.CB) [> 2.6605 = 4.4341 < 5.7644] w=0.7932 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)I102.CB) [> 3.4611 = 5.7686 < 7.4992] w=0.7932 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)I102.CB) [> 4.3434 = 7.2390 < 9.4108] w=0.7864 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)L83.CB) [> 3.8030 = 6.3383 < 8.2399] w=0.7861 to align # Constraint # added constraint: constraint((T0324)A157.CB, (T0324)V175.CB) [> 2.9111 = 4.8518 < 6.3074] w=0.7842 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)D176.CB) [> 4.0971 = 6.8285 < 8.8770] w=0.7723 to align # Constraint # added constraint: constraint((T0324)T15.CB, (T0324)L83.CB) [> 3.6229 = 6.0382 < 7.8496] w=0.7718 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)V175.CB) [> 3.0150 = 5.0251 < 6.5326] w=0.7653 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)V175.CB) [> 3.9826 = 6.6377 < 8.6290] w=0.7653 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)S163.CB) [> 4.3048 = 7.1747 < 9.3270] w=0.7646 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)D166.CB) [> 3.4935 = 5.8224 < 7.5691] w=0.7626 to align # Constraint # added constraint: constraint((T0324)T15.CB, (T0324)I81.CB) [> 3.2903 = 5.4838 < 7.1290] w=0.7575 to align # Constraint # added constraint: constraint((T0324)P140.CB, (T0324)A172.CB) [> 3.0436 = 5.0727 < 6.5945] w=0.7557 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)M124.CB) [> 3.0765 = 5.1274 < 6.6657] w=0.7554 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)G161.CA) [> 4.5761 = 7.6269 < 9.9150] w=0.7509 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)A180.CB) [> 3.0653 = 5.1088 < 6.6415] w=0.7507 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)T127.CB) [> 3.9262 = 6.5437 < 8.5069] w=0.7434 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)D162.CB) [> 4.5685 = 7.6141 < 9.8983] w=0.7434 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)M124.CB) [> 3.4095 = 5.6825 < 7.3873] w=0.7412 to align # Constraint # added constraint: constraint((T0324)T104.CB, (T0324)I128.CB) [> 4.4213 = 7.3689 < 9.5795] w=0.7365 to align # Constraint # added constraint: constraint((T0324)P154.CB, (T0324)A173.CB) [> 3.4121 = 5.6869 < 7.3930] w=0.7344 to align # Constraint # added constraint: constraint((T0324)L143.CB, (T0324)F159.CB) [> 4.2012 = 7.0021 < 9.1027] w=0.7273 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)V152.CB) [> 3.2305 = 5.3842 < 6.9994] w=0.7273 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)N156.CB) [> 3.6256 = 6.0427 < 7.8556] w=0.7273 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)P142.CB) [> 3.5932 = 5.9886 < 7.7852] w=0.7273 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)V181.CB) [> 3.9884 = 6.6473 < 8.6415] w=0.7234 to align # Constraint # added constraint: constraint((T0324)L83.CB, (T0324)Y118.CB) [> 3.4700 = 5.7833 < 7.5183] w=0.7231 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)Y84.CB) [> 3.7412 = 6.2353 < 8.1058] w=0.7220 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)G101.CA) [> 3.7848 = 6.3080 < 8.2004] w=0.7218 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)I102.CB) [> 3.2496 = 5.4160 < 7.0408] w=0.7218 to align # Constraint # added constraint: constraint((T0324)Q155.CB, (T0324)N174.CB) [> 3.3615 = 5.6025 < 7.2832] w=0.7201 to align # Constraint # added constraint: constraint((T0324)N16.CB, (T0324)Y84.CB) [> 3.6493 = 6.0821 < 7.9067] w=0.7161 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)T127.CB) [> 2.9427 = 4.9046 < 6.3760] w=0.7149 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)I102.CB) [> 4.2429 = 7.0716 < 9.1930] w=0.7147 to align # Constraint # added constraint: constraint((T0324)G178.CA, (T0324)A194.CB) [> 3.4810 = 5.8017 < 7.5422] w=0.7080 to align # Constraint # added constraint: constraint((T0324)L179.CB, (T0324)H195.CB) [> 4.0507 = 6.7512 < 8.7766] w=0.7080 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)I128.CB) [> 3.9358 = 6.5596 < 8.5275] w=0.7080 to align # Constraint # added constraint: constraint((T0324)T15.CB, (T0324)Y84.CB) [> 3.9273 = 6.5455 < 8.5091] w=0.7077 to align # Constraint # added constraint: constraint((T0324)G178.CA, (T0324)H195.CB) [> 2.9651 = 4.9418 < 6.4244] w=0.7009 to align # Constraint # added constraint: constraint((T0324)A180.CB, (T0324)F197.CB) [> 3.4713 = 5.7855 < 7.5211] w=0.7008 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)V103.CB) [> 3.8931 = 6.4884 < 8.4350] w=0.7004 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)T104.CB) [> 3.8863 = 6.4773 < 8.4204] w=0.7004 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)V126.CB) [> 2.9739 = 4.9564 < 6.4433] w=0.6993 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)L179.CB) [> 4.1903 = 6.9839 < 9.0790] w=0.6937 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)L100.CB) [> 4.2407 = 7.0678 < 9.1881] w=0.6826 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)I128.CB) [> 2.9621 = 4.9369 < 6.4180] w=0.6795 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)L111.CB) [> 3.8647 = 6.4411 < 8.3734] w=0.6791 to align # Constraint # added constraint: constraint((T0324)T104.CB, (T0324)S129.CB) [> 3.5556 = 5.9261 < 7.7039] w=0.6723 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)A180.CB) [> 3.3367 = 5.5611 < 7.2295] w=0.6652 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)F159.CB) [> 4.6915 = 7.8191 < 10.1648] w=0.6648 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)V126.CB) [> 4.1943 = 6.9904 < 9.0876] w=0.6636 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)A146.CB) [> 3.4214 = 5.7023 < 7.4130] w=0.6632 to align # Constraint # added constraint: constraint((T0324)G178.CA, (T0324)R196.CB) [> 3.9717 = 6.6195 < 8.6053] w=0.6582 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)V103.CB) [> 4.4118 = 7.3531 < 9.5590] w=0.6577 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)M124.CB) [> 3.0058 = 5.0097 < 6.5126] w=0.6558 to align # Constraint # added constraint: constraint((T0324)E167.CB, (T0324)F177.CB) [> 2.9641 = 4.9402 < 6.4223] w=0.6492 to align # Constraint # added constraint: constraint((T0324)P154.CB, (T0324)V175.CB) [> 3.0504 = 5.0841 < 6.6093] w=0.6490 to align # Constraint # added constraint: constraint((T0324)I128.CB, (T0324)A146.CB) [> 3.5295 = 5.8825 < 7.6472] w=0.6490 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)A157.CB) [> 4.0918 = 6.8196 < 8.8655] w=0.6419 to align # Constraint # added constraint: constraint((T0324)G178.CA, (T0324)F197.CB) [> 4.1101 = 6.8501 < 8.9051] w=0.6368 to align # Constraint # added constraint: constraint((T0324)L179.CB, (T0324)V193.CB) [> 2.5954 = 4.3257 < 5.6234] w=0.6346 to align # Constraint # added constraint: constraint((T0324)L179.CB, (T0324)R196.CB) [> 3.0052 = 5.0087 < 6.5113] w=0.6296 to align # Constraint # added constraint: constraint((T0324)L90.CB, (T0324)P200.CB) [> 2.9898 = 4.9831 < 6.4780] w=0.6272 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)I203.CB) [> 3.8209 = 6.3682 < 8.2787] w=0.6251 to align # Constraint # added constraint: constraint((T0324)L143.CB, (T0324)V175.CB) [> 3.9209 = 6.5348 < 8.4952] w=0.6241 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)L179.CB) [> 4.3478 = 7.2463 < 9.4201] w=0.6237 to align # Constraint # added constraint: constraint((T0324)L179.CB, (T0324)F197.CB) [> 4.2608 = 7.1014 < 9.2318] w=0.6225 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)L98.CB) [> 4.0664 = 6.7773 < 8.8104] w=0.6210 to align # Constraint # added constraint: constraint((T0324)G178.CA, (T0324)V193.CB) [> 3.1975 = 5.3292 < 6.9280] w=0.6204 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)L143.CB) [> 3.7393 = 6.2322 < 8.1019] w=0.6204 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)A125.CB) [> 3.4615 = 5.7691 < 7.4998] w=0.6201 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)L143.CB) [> 3.8142 = 6.3570 < 8.2642] w=0.6165 to align # Constraint # added constraint: constraint((T0324)P138.CB, (T0324)Q168.CB) [> 3.1907 = 5.3179 < 6.9132] w=0.6133 to align # Constraint # added constraint: constraint((T0324)T104.CB, (T0324)A130.CB) [> 4.2054 = 7.0090 < 9.1117] w=0.6083 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)V175.CB) [> 4.3797 = 7.2994 < 9.4892] w=0.6081 to align # Constraint # added constraint: constraint((T0324)P138.CB, (T0324)S165.CB) [> 3.2769 = 5.4615 < 7.0999] w=0.6062 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)F177.CB) [> 4.5597 = 7.5995 < 9.8793] w=0.6061 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)A125.CB) [> 3.3650 = 5.6083 < 7.2908] w=0.6058 to align # Constraint # added constraint: constraint((T0324)R99.CB, (T0324)A125.CB) [> 3.1191 = 5.1984 < 6.7579] w=0.6058 to align # Constraint # added constraint: constraint((T0324)I87.CB, (T0324)P200.CB) [> 3.3232 = 5.5387 < 7.2003] w=0.6037 to align # Constraint # added constraint: constraint((T0324)L144.CB, (T0324)A173.CB) [> 3.8991 = 6.4985 < 8.4481] w=0.6025 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)I128.CB) [> 4.2775 = 7.1291 < 9.2678] w=0.6011 to align # Constraint # added constraint: constraint((T0324)F177.CB, (T0324)A194.CB) [> 3.1940 = 5.3233 < 6.9203] w=0.6010 to align # Constraint # added constraint: constraint((T0324)L90.CB, (T0324)I203.CB) [> 3.6753 = 6.1255 < 7.9631] w=0.5990 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)T169.CB) [> 3.5186 = 5.8643 < 7.6236] w=0.5990 to align # Constraint # added constraint: constraint((T0324)V181.CB, (T0324)F197.CB) [> 4.1482 = 6.9136 < 8.9877] w=0.5939 to align # Constraint # added constraint: constraint((T0324)P138.CB, (T0324)T169.CB) [> 2.7474 = 4.5789 < 5.9526] w=0.5920 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)I102.CB) [> 4.4921 = 7.4868 < 9.7328] w=0.5863 to align # Constraint # added constraint: constraint((T0324)L90.CB, (T0324)L204.CB) [> 3.6685 = 6.1142 < 7.9485] w=0.5823 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)A130.CB) [> 3.3951 = 5.6585 < 7.3561] w=0.5798 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)F177.CB) [> 4.5258 = 7.5430 < 9.8058] w=0.5797 to align # Constraint # added constraint: constraint((T0324)F177.CB, (T0324)H195.CB) [> 4.2881 = 7.1469 < 9.2910] w=0.5776 to align # Constraint # added constraint: constraint((T0324)F91.CB, (T0324)F120.CB) [> 3.9578 = 6.5964 < 8.5753] w=0.5772 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)Q106.CB) [> 3.8656 = 6.4427 < 8.3755] w=0.5771 to align # Constraint # added constraint: constraint((T0324)G86.CA, (T0324)P200.CB) [> 3.1258 = 5.2097 < 6.7726] w=0.5752 to align # Constraint # added constraint: constraint((T0324)Y84.CB, (T0324)P200.CB) [> 3.7049 = 6.1749 < 8.0273] w=0.5681 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)D176.CB) [> 4.0238 = 6.7064 < 8.7183] w=0.5635 to align # Constraint # added constraint: constraint((T0324)V126.CB, (T0324)V150.CB) [> 3.7843 = 6.3071 < 8.1992] w=0.5563 to align # Constraint # added constraint: constraint((T0324)K137.CB, (T0324)S165.CB) [> 3.2567 = 5.4278 < 7.0562] w=0.5563 to align # Constraint # added constraint: constraint((T0324)D139.CB, (T0324)T169.CB) [> 3.9216 = 6.5359 < 8.4967] w=0.5563 to align # Constraint # added constraint: constraint((T0324)T104.CB, (T0324)T127.CB) [> 4.4793 = 7.4655 < 9.7052] w=0.5509 to align # Constraint # added constraint: constraint((T0324)E167.CB, (T0324)G178.CA) [> 4.2012 = 7.0021 < 9.1027] w=0.5493 to align # Constraint # added constraint: constraint((T0324)V126.CB, (T0324)K149.CB) [> 3.3159 = 5.5265 < 7.1845] w=0.5492 to align # Constraint # added constraint: constraint((T0324)I128.CB, (T0324)T145.CB) [> 3.4886 = 5.8143 < 7.5586] w=0.5420 to align # Constraint # added constraint: constraint((T0324)F177.CB, (T0324)V193.CB) [> 3.0126 = 5.0210 < 6.5273] w=0.5419 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)S105.CB) [> 4.3473 = 7.2455 < 9.4191] w=0.5414 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)F159.CB) [> 4.4913 = 7.4855 < 9.7312] w=0.5370 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)Y84.CB) [> 4.3167 = 7.1945 < 9.3528] w=0.5365 to align # Constraint # added constraint: constraint((T0324)T133.CB, (T0324)P142.CB) [> 3.5489 = 5.9148 < 7.6892] w=0.5349 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)A146.CB) [> 3.8543 = 6.4239 < 8.3511] w=0.5345 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)R123.CB) [> 3.6920 = 6.1533 < 7.9993] w=0.5240 to align # Constraint # added constraint: constraint((T0324)R108.CB, (T0324)S129.CB) [> 3.0093 = 5.0155 < 6.5201] w=0.5084 to align # Constraint # added constraint: constraint((T0324)D176.CB, (T0324)A194.CB) [> 3.2474 = 5.4124 < 7.0361] w=0.5062 to align # Constraint # added constraint: constraint((T0324)Q106.CB, (T0324)S129.CB) [> 3.6414 = 6.0689 < 7.8896] w=0.4993 to align # Constraint # added constraint: constraint((T0324)T88.CB, (T0324)F120.CB) [> 3.9870 = 6.6450 < 8.6385] w=0.4989 to align # Constraint # added constraint: constraint((T0324)H195.CB, (T0324)L206.CB) [> 3.4519 = 5.7531 < 7.4791] w=0.4920 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)W182.CB) [> 3.4131 = 5.6885 < 7.3951] w=0.4870 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)K137.CB) [> 4.1920 = 6.9866 < 9.0826] w=0.4849 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)A173.CB) [> 3.3733 = 5.6222 < 7.3089] w=0.4847 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)F207.CB) [> 4.0376 = 6.7293 < 8.7481] w=0.4765 to align # Constraint # added constraint: constraint((T0324)W182.CB, (T0324)K199.CB) [> 3.8642 = 6.4404 < 8.3725] w=0.4755 to align # Constraint # added constraint: constraint((T0324)G178.CA, (T0324)L206.CB) [> 4.2331 = 7.0551 < 9.1717] w=0.4753 to align # Constraint # added constraint: constraint((T0324)I128.CB, (T0324)K149.CB) [> 3.9392 = 6.5652 < 8.5348] w=0.4707 to align # Constraint # added constraint: constraint((T0324)A130.CB, (T0324)P142.CB) [> 3.7389 = 6.2314 < 8.1009] w=0.4707 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)L147.CB) [> 4.0012 = 6.6686 < 8.6692] w=0.4706 to align # Constraint # added constraint: constraint((T0324)Q155.CB, (T0324)V175.CB) [> 4.2946 = 7.1576 < 9.3049] w=0.4703 to align # Constraint # added constraint: constraint((T0324)A180.CB, (T0324)P200.CB) [> 3.9188 = 6.5314 < 8.4908] w=0.4682 to align # Constraint # added constraint: constraint((T0324)L111.CB, (T0324)T127.CB) [> 3.5032 = 5.8387 < 7.5902] w=0.4657 to align # Constraint # added constraint: constraint((T0324)F91.CB, (T0324)R123.CB) [> 2.8255 = 4.7092 < 6.1219] w=0.4588 to align # Constraint # added constraint: constraint((T0324)E112.CB, (T0324)T127.CB) [> 3.9950 = 6.6584 < 8.6559] w=0.4586 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)F120.CB) [> 4.2179 = 7.0299 < 9.1389] w=0.4565 to align # Constraint # added constraint: constraint((T0324)G86.CA, (T0324)K199.CB) [> 4.0448 = 6.7413 < 8.7637] w=0.4564 to align # Constraint # added constraint: constraint((T0324)L90.CB, (T0324)L201.CB) [> 3.6673 = 6.1121 < 7.9457] w=0.4564 to align # Constraint # added constraint: constraint((T0324)R107.CB, (T0324)S129.CB) [> 3.6223 = 6.0372 < 7.8484] w=0.4564 to align # Constraint # added constraint: constraint((T0324)L111.CB, (T0324)S129.CB) [> 3.5735 = 5.9558 < 7.7425] w=0.4514 to align # Constraint # added constraint: constraint((T0324)E167.CB, (T0324)V193.CB) [> 3.2624 = 5.4373 < 7.0685] w=0.4494 to align # Constraint # added constraint: constraint((T0324)A146.CB, (T0324)A157.CB) [> 4.3874 = 7.3124 < 9.5061] w=0.4493 to align # Constraint # added constraint: constraint((T0324)Q93.CB, (T0324)L204.CB) [> 3.3036 = 5.5060 < 7.1578] w=0.4492 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)A170.CB) [> 4.4364 = 7.3939 < 9.6121] w=0.4492 to align # Constraint # added constraint: constraint((T0324)L83.CB, (T0324)F120.CB) [> 3.7720 = 6.2867 < 8.1727] w=0.4490 to align # Constraint # added constraint: constraint((T0324)T15.CB, (T0324)G114.CA) [> 4.4075 = 7.3459 < 9.5497] w=0.4434 to align # Constraint # added constraint: constraint((T0324)A157.CB, (T0324)A173.CB) [> 3.6811 = 6.1352 < 7.9758] w=0.4419 to align # Constraint # added constraint: constraint((T0324)Q155.CB, (T0324)D176.CB) [> 4.2914 = 7.1523 < 9.2980] w=0.4419 to align # Constraint # added constraint: constraint((T0324)T88.CB, (T0324)Y118.CB) [> 4.0563 = 6.7605 < 8.7886] w=0.4366 to align # Constraint # added constraint: constraint((T0324)I128.CB, (T0324)P142.CB) [> 3.4282 = 5.7137 < 7.4279] w=0.4351 to align # Constraint # added constraint: constraint((T0324)F91.CB, (T0324)M124.CB) [> 4.4529 = 7.4215 < 9.6479] w=0.4347 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)L100.CB) [> 4.6514 = 7.7523 < 10.0779] w=0.4336 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)A180.CB) [> 4.3339 = 7.2231 < 9.3900] w=0.4300 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)V126.CB) [> 4.4889 = 7.4815 < 9.7259] w=0.4286 to align # Constraint # added constraint: constraint((T0324)P138.CB, (T0324)D166.CB) [> 3.9609 = 6.6015 < 8.5820] w=0.4279 to align # Constraint # added constraint: constraint((T0324)Y78.CB, (T0324)E110.CB) [> 3.8202 = 6.3670 < 8.2771] w=0.4264 to align # Constraint # added constraint: constraint((T0324)M115.CB, (T0324)T127.CB) [> 4.1012 = 6.8353 < 8.8859] w=0.4229 to align # Constraint # added constraint: constraint((T0324)R99.CB, (T0324)V126.CB) [> 4.5105 = 7.5174 < 9.7727] w=0.4208 to align # Constraint # added constraint: constraint((T0324)I87.CB, (T0324)F120.CB) [> 4.2144 = 7.0240 < 9.1312] w=0.4205 to align # Constraint # added constraint: constraint((T0324)P138.CB, (T0324)A172.CB) [> 4.0104 = 6.6840 < 8.6892] w=0.4137 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)G183.CA) [> 3.6410 = 6.0683 < 7.8888] w=0.4136 to align # Constraint # added constraint: constraint((T0324)M115.CB, (T0324)M124.CB) [> 4.0311 = 6.7186 < 8.7341] w=0.4128 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)F159.CB) [> 4.5380 = 7.5633 < 9.8322] w=0.4085 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)D166.CB) [> 4.6348 = 7.7247 < 10.0421] w=0.4062 to align # Constraint # added constraint: constraint((T0324)P95.CB, (T0324)R123.CB) [> 3.7787 = 6.2978 < 8.1871] w=0.3963 to align # Constraint # added constraint: constraint((T0324)R108.CB, (T0324)D131.CB) [> 3.4678 = 5.7796 < 7.5135] w=0.3923 to align # Constraint # added constraint: constraint((T0324)F197.CB, (T0324)L206.CB) [> 3.8280 = 6.3800 < 8.2940] w=0.3923 to align # Constraint # added constraint: constraint((T0324)S17.CB, (T0324)I81.CB) [> 3.5763 = 5.9606 < 7.7488] w=0.3918 to align # Constraint # added constraint: constraint((T0324)V126.CB, (T0324)A146.CB) [> 3.7336 = 6.2226 < 8.0894] w=0.3887 to align # Constraint # added constraint: constraint((T0324)D176.CB, (T0324)H195.CB) [> 4.4864 = 7.4773 < 9.7205] w=0.3871 to align # Constraint # added constraint: constraint((T0324)Q171.CB, (T0324)K192.CB) [> 3.7927 = 6.3211 < 8.2175] w=0.3852 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)S163.CB) [> 4.5150 = 7.5250 < 9.7825] w=0.3852 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)Y118.CB) [> 4.3305 = 7.2175 < 9.3828] w=0.3811 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)F207.CB) [> 3.5919 = 5.9864 < 7.7824] w=0.3780 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)P200.CB) [> 4.4444 = 7.4073 < 9.6295] w=0.3730 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)M184.CB) [> 3.5048 = 5.8414 < 7.5938] w=0.3729 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)S129.CB) [> 4.5401 = 7.5669 < 9.8369] w=0.3693 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)D185.CB) [> 3.2517 = 5.4195 < 7.0453] w=0.3658 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)F159.CB) [> 4.5629 = 7.6048 < 9.8863] w=0.3653 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)P200.CB) [> 4.2071 = 7.0119 < 9.1154] w=0.3565 to align # Constraint # added constraint: constraint((T0324)L144.CB, (T0324)P154.CB) [> 4.0780 = 6.7967 < 8.8357] w=0.3564 to align # Constraint # added constraint: constraint((T0324)V164.CB, (T0324)L179.CB) [> 3.9276 = 6.5460 < 8.5097] w=0.3516 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)P200.CB) [> 4.3447 = 7.2413 < 9.4136] w=0.3494 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)F207.CB) [> 4.3414 = 7.2357 < 9.4064] w=0.3494 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)F66.CB) [> 3.3860 = 5.6433 < 7.3363] w=0.3422 to align # Constraint # added constraint: constraint((T0324)L94.CB, (T0324)L204.CB) [> 3.9316 = 6.5526 < 8.5184] w=0.3373 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)M115.CB) [> 4.4970 = 7.4950 < 9.7435] w=0.3361 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)I203.CB) [> 4.4102 = 7.3503 < 9.5553] w=0.3352 to align # Constraint # added constraint: constraint((T0324)G178.CA, (T0324)I203.CB) [> 4.4565 = 7.4275 < 9.6558] w=0.3348 to align # Constraint # added constraint: constraint((T0324)V24.CB, (T0324)V73.CB) [> 3.0016 = 5.0026 < 6.5034] w=0.3276 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)T169.CB) [> 4.1461 = 6.9102 < 8.9832] w=0.3208 to align # Constraint # added constraint: constraint((T0324)A170.CB, (T0324)V193.CB) [> 4.0231 = 6.7052 < 8.7168] w=0.3208 to align # Constraint # added constraint: constraint((T0324)D166.CB, (T0324)F177.CB) [> 4.3440 = 7.2400 < 9.4121] w=0.3138 to align # Constraint # added constraint: constraint((T0324)L94.CB, (T0324)F207.CB) [> 4.3033 = 7.1722 < 9.3239] w=0.3137 to align # Constraint # added constraint: constraint((T0324)V164.CB, (T0324)H190.CB) [> 3.9182 = 6.5304 < 8.4895] w=0.3087 to align # Constraint # added constraint: constraint((T0324)S163.CB, (T0324)D185.CB) [> 3.7929 = 6.3215 < 8.2180] w=0.3066 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)I87.CB) [> 4.2417 = 7.0695 < 9.1903] w=0.3016 to align # Constraint # added constraint: constraint((T0324)I81.CB, (T0324)S117.CB) [> 3.6653 = 6.1088 < 7.9414] w=0.2996 to align # Constraint # added constraint: constraint((T0324)A157.CB, (T0324)N174.CB) [> 3.5802 = 5.9670 < 7.7571] w=0.2994 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)V73.CB) [> 3.8547 = 6.4246 < 8.3519] w=0.2979 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)M124.CB) [> 4.4272 = 7.3787 < 9.5923] w=0.2960 to align # Constraint # added constraint: constraint((T0324)V24.CB, (T0324)Y70.CB) [> 3.3496 = 5.5827 < 7.2575] w=0.2924 to align # Constraint # added constraint: constraint((T0324)L94.CB, (T0324)I203.CB) [> 4.3326 = 7.2210 < 9.3873] w=0.2853 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)Y70.CB) [> 3.3250 = 5.5416 < 7.2041] w=0.2853 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)F91.CB) [> 4.4700 = 7.4500 < 9.6850] w=0.2802 to align # Constraint # added constraint: constraint((T0324)A20.CB, (T0324)H77.CB) [> 3.1351 = 5.2251 < 6.7926] w=0.2795 to align # Constraint # added constraint: constraint((T0324)T31.CB, (T0324)Q69.CB) [> 3.7881 = 6.3135 < 8.2076] w=0.2781 to align # Constraint # added constraint: constraint((T0324)V24.CB, (T0324)H77.CB) [> 3.5766 = 5.9610 < 7.7493] w=0.2719 to align # Constraint # added constraint: constraint((T0324)I87.CB, (T0324)Y118.CB) [> 4.2182 = 7.0303 < 9.1394] w=0.2705 to align # Constraint # added constraint: constraint((T0324)V24.CB, (T0324)M74.CB) [> 2.9957 = 4.9928 < 6.4906] w=0.2699 to align # Constraint # added constraint: constraint((T0324)L29.CB, (T0324)L56.CB) [> 3.7778 = 6.2964 < 8.1853] w=0.2698 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)S129.CB) [> 4.2716 = 7.1193 < 9.2551] w=0.2694 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)W182.CB) [> 3.6479 = 6.0799 < 7.9039] w=0.2660 to align # Constraint # added constraint: constraint((T0324)L98.CB, (T0324)F207.CB) [> 4.3203 = 7.2006 < 9.3607] w=0.2639 to align # Constraint # added constraint: constraint((T0324)Y32.CB, (T0324)F66.CB) [> 4.1376 = 6.8960 < 8.9648] w=0.2639 to align # Constraint # added constraint: constraint((T0324)V164.CB, (T0324)P186.CB) [> 4.0147 = 6.6911 < 8.6985] w=0.2638 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)Y70.CB) [> 4.0082 = 6.6803 < 8.6844] w=0.2635 to align # Constraint # added constraint: constraint((T0324)Q106.CB, (T0324)A130.CB) [> 3.8379 = 6.3965 < 8.3154] w=0.2627 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)A170.CB) [> 4.5390 = 7.5651 < 9.8346] w=0.2568 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)M115.CB) [> 4.5433 = 7.5721 < 9.8437] w=0.2552 to align # Constraint # added constraint: constraint((T0324)A20.CB, (T0324)Q80.CB) [> 3.1935 = 5.3225 < 6.9193] w=0.2510 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)E97.CB) [> 4.3439 = 7.2397 < 9.4117] w=0.2510 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)L56.CB) [> 3.7712 = 6.2853 < 8.1709] w=0.2502 to align # Constraint # added constraint: constraint((T0324)L83.CB, (T0324)P119.CB) [> 3.9348 = 6.5581 < 8.5255] w=0.2497 to align # Constraint # added constraint: constraint((T0324)K137.CB, (T0324)S163.CB) [> 4.5381 = 7.5636 < 9.8326] w=0.2460 to align # Constraint # added constraint: constraint((T0324)T15.CB, (T0324)I87.CB) [> 4.5433 = 7.5722 < 9.8438] w=0.2446 to align # Constraint # added constraint: constraint((T0324)L83.CB, (T0324)G114.CA) [> 4.3629 = 7.2714 < 9.4529] w=0.2435 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)G183.CA) [> 2.9853 = 4.9755 < 6.4681] w=0.2425 to align # Constraint # added constraint: constraint((T0324)F177.CB, (T0324)K192.CB) [> 3.9829 = 6.6381 < 8.6295] w=0.2423 to align # Constraint # added constraint: constraint((T0324)R107.CB, (T0324)A130.CB) [> 3.6999 = 6.1665 < 8.0165] w=0.2413 to align # Constraint # added constraint: constraint((T0324)L179.CB, (T0324)A194.CB) [> 3.6845 = 6.1408 < 7.9830] w=0.2374 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)F91.CB) [> 4.1986 = 6.9977 < 9.0970] w=0.2374 to align # Constraint # added constraint: constraint((T0324)T22.CB, (T0324)A41.CB) [> 3.1050 = 5.1750 < 6.7276] w=0.2354 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)A153.CB) [> 4.5764 = 7.6273 < 9.9154] w=0.2354 to align # Constraint # added constraint: constraint((T0324)L147.CB, (T0324)N156.CB) [> 4.5936 = 7.6560 < 9.9528] w=0.2352 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)T169.CB) [> 3.7605 = 6.2674 < 8.1477] w=0.2352 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)A172.CB) [> 4.3872 = 7.3121 < 9.5057] w=0.2349 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)A130.CB) [> 4.5238 = 7.5397 < 9.8017] w=0.2338 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)S163.CB) [> 4.5270 = 7.5450 < 9.8084] w=0.2315 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)D131.CB) [> 4.2452 = 7.0753 < 9.1979] w=0.2304 to align # Constraint # added constraint: constraint((T0324)T22.CB, (T0324)Q42.CB) [> 3.6314 = 6.0524 < 7.8681] w=0.2283 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)P142.CB) [> 4.4119 = 7.3532 < 9.5592] w=0.2283 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)W182.CB) [> 3.7598 = 6.2664 < 8.1463] w=0.2282 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)V103.CB) [> 4.5379 = 7.5632 < 9.8322] w=0.2280 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)A173.CB) [> 4.1306 = 6.8843 < 8.9496] w=0.2279 to align # Constraint # added constraint: constraint((T0324)Y21.CB, (T0324)M74.CB) [> 3.8981 = 6.4967 < 8.4458] w=0.2278 to align # Constraint # added constraint: constraint((T0324)W182.CB, (T0324)P200.CB) [> 4.0083 = 6.6805 < 8.6847] w=0.2270 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)S129.CB) [> 4.4583 = 7.4306 < 9.6597] w=0.2210 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)N174.CB) [> 4.1063 = 6.8438 < 8.8970] w=0.2209 to align # Constraint # added constraint: constraint((T0324)N156.CB, (T0324)N174.CB) [> 3.5806 = 5.9676 < 7.7579] w=0.2209 to align # Constraint # added constraint: constraint((T0324)Y78.CB, (T0324)G114.CA) [> 3.8625 = 6.4375 < 8.3688] w=0.2160 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)T127.CB) [> 4.3150 = 7.1917 < 9.3492] w=0.2157 to align # Constraint # added constraint: constraint((T0324)T23.CB, (T0324)H77.CB) [> 3.6374 = 6.0624 < 7.8811] w=0.2128 to align # Constraint # added constraint: constraint((T0324)M74.CB, (T0324)E110.CB) [> 4.1267 = 6.8778 < 8.9412] w=0.2068 to align # Constraint # added constraint: constraint((T0324)V181.CB, (T0324)H190.CB) [> 3.4545 = 5.7575 < 7.4847] w=0.1997 to align # Constraint # added constraint: constraint((T0324)T44.CB, (T0324)L56.CB) [> 3.7912 = 6.3187 < 8.2143] w=0.1996 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)G114.CA) [> 4.5973 = 7.6621 < 9.9608] w=0.1995 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)A146.CB) [> 4.1936 = 6.9893 < 9.0861] w=0.1926 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)A125.CB) [> 4.6889 = 7.8148 < 10.1593] w=0.1926 to align # Constraint # added constraint: constraint((T0324)T2.CB, (T0324)N156.CB) [> 3.8840 = 6.4734 < 8.4154] w=0.1924 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)I81.CB) [> 4.0325 = 6.7208 < 8.7370] w=0.1912 to align # Constraint # added constraint: constraint((T0324)V164.CB, (T0324)V193.CB) [> 4.3906 = 7.3177 < 9.5130] w=0.1855 to align # Constraint # added constraint: constraint((T0324)W182.CB, (T0324)F197.CB) [> 3.7897 = 6.3161 < 8.2109] w=0.1854 to align # Constraint # added constraint: constraint((T0324)W182.CB, (T0324)R196.CB) [> 4.1795 = 6.9659 < 9.0556] w=0.1853 to align # Constraint # added constraint: constraint((T0324)S17.CB, (T0324)E82.CB) [> 4.0580 = 6.7633 < 8.7923] w=0.1852 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)I128.CB) [> 4.6891 = 7.8152 < 10.1598] w=0.1819 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)F120.CB) [> 3.6685 = 6.1142 < 7.9485] w=0.1795 to align # Constraint # added constraint: constraint((T0324)P95.CB, (T0324)A125.CB) [> 4.4420 = 7.4033 < 9.6243] w=0.1783 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)W182.CB) [> 3.8291 = 6.3819 < 8.2964] w=0.1782 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)V181.CB) [> 3.6146 = 6.0243 < 7.8316] w=0.1782 to align # Constraint # added constraint: constraint((T0324)E50.CB, (T0324)Q67.CB) [> 3.3566 = 5.5944 < 7.2727] w=0.1726 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)A170.CB) [> 4.6477 = 7.7463 < 10.0701] w=0.1712 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)L179.CB) [> 3.5880 = 5.9801 < 7.7741] w=0.1710 to align # Constraint # added constraint: constraint((T0324)M53.CB, (T0324)F66.CB) [> 3.2445 = 5.4075 < 7.0297] w=0.1654 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)L179.CB) [> 4.2927 = 7.1544 < 9.3007] w=0.1640 to align # Constraint # added constraint: constraint((T0324)A180.CB, (T0324)H195.CB) [> 3.6321 = 6.0534 < 7.8695] w=0.1639 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)M122.CB) [> 4.0270 = 6.7116 < 8.7251] w=0.1639 to align # Constraint # added constraint: constraint((T0324)T54.CB, (T0324)F63.CB) [> 3.5791 = 5.9651 < 7.7547] w=0.1629 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)S105.CB) [> 4.6295 = 7.7159 < 10.0307] w=0.1601 to align # Constraint # added constraint: constraint((T0324)G183.CA, (T0324)Q198.CB) [> 3.8195 = 6.3658 < 8.2755] w=0.1569 to align # Constraint # added constraint: constraint((T0324)S163.CB, (T0324)P186.CB) [> 3.9559 = 6.5931 < 8.5711] w=0.1568 to align # Constraint # added constraint: constraint((T0324)L179.CB, (T0324)K192.CB) [> 4.2764 = 7.1274 < 9.2656] w=0.1567 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)F120.CB) [> 3.2371 = 5.3951 < 7.0136] w=0.1567 to align # Constraint # added constraint: constraint((T0324)N16.CB, (T0324)G183.CA) [> 4.1326 = 6.8876 < 8.9539] w=0.1546 to align # Constraint # added constraint: constraint((T0324)I102.CB, (T0324)R123.CB) [> 2.9467 = 4.9112 < 6.3846] w=0.1517 to align # Constraint # added constraint: constraint((T0324)P46.CB, (T0324)V164.CB) [> 4.2613 = 7.1021 < 9.2327] w=0.1498 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)V150.CB) [> 4.5836 = 7.6394 < 9.9312] w=0.1498 to align # Constraint # added constraint: constraint((T0324)Y32.CB, (T0324)E62.CB) [> 4.2059 = 7.0098 < 9.1127] w=0.1497 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)M122.CB) [> 4.0929 = 6.8214 < 8.8679] w=0.1493 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)M121.CB) [> 3.4689 = 5.7815 < 7.5160] w=0.1484 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)R123.CB) [> 3.8258 = 6.3763 < 8.2893] w=0.1438 to align # Constraint # added constraint: constraint((T0324)Y21.CB, (T0324)F45.CB) [> 4.0266 = 6.7110 < 8.7242] w=0.1427 to align # Constraint # added constraint: constraint((T0324)L111.CB, (T0324)A130.CB) [> 3.8233 = 6.3722 < 8.2838] w=0.1426 to align # Constraint # added constraint: constraint((T0324)R99.CB, (T0324)N151.CB) [> 4.4578 = 7.4297 < 9.6586] w=0.1426 to align # Constraint # added constraint: constraint((T0324)S17.CB, (T0324)R26.CB) [> 4.1414 = 6.9023 < 8.9730] w=0.1425 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)F120.CB) [> 3.3235 = 5.5392 < 7.2010] w=0.1424 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)V181.CB) [> 4.3718 = 7.2864 < 9.4723] w=0.1391 to align # Constraint # added constraint: constraint((T0324)T15.CB, (T0324)V24.CB) [> 4.2976 = 7.1627 < 9.3115] w=0.1360 to align # Constraint # added constraint: constraint((T0324)E50.CB, (T0324)F63.CB) [> 4.0342 = 6.7237 < 8.7408] w=0.1355 to align # Constraint # added constraint: constraint((T0324)Y32.CB, (T0324)I58.CB) [> 3.7511 = 6.2519 < 8.1275] w=0.1355 to align # Constraint # added constraint: constraint((T0324)S163.CB, (T0324)G183.CA) [> 4.3724 = 7.2874 < 9.4736] w=0.1354 to align # Constraint # added constraint: constraint((T0324)T104.CB, (T0324)V126.CB) [> 4.5007 = 7.5012 < 9.7516] w=0.1349 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)Y21.CB) [> 4.1492 = 6.9153 < 8.9898] w=0.1344 to align # Constraint # added constraint: constraint((T0324)Y21.CB, (T0324)H77.CB) [> 4.1430 = 6.9050 < 8.9765] w=0.1286 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)G183.CA) [> 4.1206 = 6.8677 < 8.9280] w=0.1284 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)A170.CB) [> 4.7404 = 7.9006 < 10.2708] w=0.1284 to align # Constraint # added constraint: constraint((T0324)Y78.CB, (T0324)S117.CB) [> 4.0197 = 6.6995 < 8.7093] w=0.1284 to align # Constraint # added constraint: constraint((T0324)N156.CB, (T0324)V175.CB) [> 4.6842 = 7.8070 < 10.1491] w=0.1284 to align # Constraint # added constraint: constraint((T0324)L111.CB, (T0324)I128.CB) [> 4.1371 = 6.8951 < 8.9636] w=0.1283 to align # Constraint # added constraint: constraint((T0324)N156.CB, (T0324)D176.CB) [> 3.8748 = 6.4580 < 8.3953] w=0.1283 to align # Constraint # added constraint: constraint((T0324)Y32.CB, (T0324)H65.CB) [> 4.2429 = 7.0715 < 9.1929] w=0.1283 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)V181.CB) [> 4.2454 = 7.0757 < 9.1984] w=0.1283 to align # Constraint # added constraint: constraint((T0324)G101.CA, (T0324)M122.CB) [> 2.7098 = 4.5163 < 5.8712] w=0.1282 to align # Constraint # added constraint: constraint((T0324)S17.CB, (T0324)E27.CB) [> 3.3256 = 5.5426 < 7.2054] w=0.1270 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)Y78.CB) [> 4.4391 = 7.3984 < 9.6180] w=0.1234 to align # Constraint # added constraint: constraint((T0324)D9.CB, (T0324)A180.CB) [> 4.3897 = 7.3161 < 9.5110] w=0.1232 to align # Constraint # added constraint: constraint((T0324)M53.CB, (T0324)Q67.CB) [> 3.4022 = 5.6703 < 7.3714] w=0.1226 to align # Constraint # added constraint: constraint((T0324)Q18.CB, (T0324)M184.CB) [> 4.2226 = 7.0376 < 9.1489] w=0.1226 to align # Constraint # added constraint: constraint((T0324)T15.CB, (T0324)Q80.CB) [> 4.1311 = 6.8852 < 8.9508] w=0.1213 to align # Constraint # added constraint: constraint((T0324)M1.CB, (T0324)N156.CB) [> 3.8049 = 6.3415 < 8.2439] w=0.1213 to align # Constraint # added constraint: constraint((T0324)A180.CB, (T0324)V193.CB) [> 3.0783 = 5.1306 < 6.6697] w=0.1212 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)V181.CB) [> 3.8265 = 6.3774 < 8.2906] w=0.1211 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)V24.CB) [> 3.4235 = 5.7059 < 7.4176] w=0.1211 to align # Constraint # added constraint: constraint((T0324)Q106.CB, (T0324)V126.CB) [> 3.7113 = 6.1856 < 8.0412] w=0.1211 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)V126.CB) [> 4.0044 = 6.6740 < 8.6762] w=0.1211 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)M184.CB) [> 4.3960 = 7.3267 < 9.5247] w=0.1189 to align # Constraint # added constraint: constraint((T0324)F177.CB, (T0324)R196.CB) [> 4.2349 = 7.0582 < 9.1757] w=0.1141 to align # Constraint # added constraint: constraint((T0324)F159.CB, (T0324)A180.CB) [> 4.1444 = 6.9074 < 8.9796] w=0.1140 to align # Constraint # added constraint: constraint((T0324)T104.CB, (T0324)M124.CB) [> 4.3034 = 7.1724 < 9.3241] w=0.1139 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)M25.CB) [> 4.3156 = 7.1927 < 9.3505] w=0.1128 to align # Constraint # added constraint: constraint((T0324)S17.CB, (T0324)Y78.CB) [> 4.2271 = 7.0452 < 9.1587] w=0.1091 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)Y118.CB) [> 4.4941 = 7.4902 < 9.7372] w=0.1081 to align # Constraint # added constraint: constraint((T0324)Y21.CB, (T0324)Y70.CB) [> 3.8927 = 6.4878 < 8.4342] w=0.1076 to align # Constraint # added constraint: constraint((T0324)A130.CB, (T0324)L141.CB) [> 4.4582 = 7.4303 < 9.6594] w=0.1070 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)S163.CB) [> 4.3629 = 7.2714 < 9.4528] w=0.1070 to align # Constraint # added constraint: constraint((T0324)M124.CB, (T0324)P142.CB) [> 3.4709 = 5.7848 < 7.5202] w=0.1068 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)S163.CB) [> 4.5903 = 7.6505 < 9.9457] w=0.1068 to align # Constraint # added constraint: constraint((T0324)L94.CB, (T0324)R123.CB) [> 4.3338 = 7.2230 < 9.3899] w=0.1066 to align # Constraint # added constraint: constraint((T0324)L90.CB, (T0324)F207.CB) [> 3.3099 = 5.5165 < 7.1715] w=0.1058 to align # Constraint # added constraint: constraint((T0324)A130.CB, (T0324)D139.CB) [> 4.5806 = 7.6344 < 9.9247] w=0.0999 to align # Constraint # added constraint: constraint((T0324)N16.CB, (T0324)M184.CB) [> 3.7213 = 6.2022 < 8.0628] w=0.0999 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)P200.CB) [> 4.2562 = 7.0937 < 9.2218] w=0.0999 to align # Constraint # added constraint: constraint((T0324)L6.CB, (T0324)V28.CB) [> 3.6505 = 6.0841 < 7.9094] w=0.0999 to align # Constraint # added constraint: constraint((T0324)T104.CB, (T0324)A125.CB) [> 2.6899 = 4.4831 < 5.8281] w=0.0925 to align # Constraint # added constraint: constraint((T0324)R99.CB, (T0324)M121.CB) [> 2.8976 = 4.8293 < 6.2781] w=0.0925 to align # Constraint # added constraint: constraint((T0324)M47.CB, (T0324)S163.CB) [> 2.9550 = 4.9250 < 6.4025] w=0.0870 to align # Constraint # added constraint: constraint((T0324)L29.CB, (T0324)M53.CB) [> 3.9817 = 6.6361 < 8.6270] w=0.0856 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)Q155.CB) [> 3.5252 = 5.8754 < 7.6380] w=0.0856 to align # Constraint # added constraint: constraint((T0324)I160.CB, (T0324)W182.CB) [> 4.1437 = 6.9061 < 8.9780] w=0.0856 to align # Constraint # added constraint: constraint((T0324)T13.CB, (T0324)F197.CB) [> 3.0692 = 5.1154 < 6.6500] w=0.0856 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)D132.CB) [> 3.8476 = 6.4126 < 8.3364] w=0.0856 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)G57.CA) [> 3.7422 = 6.2370 < 8.1081] w=0.0855 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)H65.CB) [> 3.8679 = 6.4466 < 8.3805] w=0.0855 to align # Constraint # added constraint: constraint((T0324)S163.CB, (T0324)W182.CB) [> 4.2589 = 7.0981 < 9.2276] w=0.0855 to align # Constraint # added constraint: constraint((T0324)V181.CB, (T0324)H195.CB) [> 4.2234 = 7.0390 < 9.1507] w=0.0855 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)Q42.CB) [> 3.4495 = 5.7491 < 7.4738] w=0.0785 to align # Constraint # added constraint: constraint((T0324)L29.CB, (T0324)F66.CB) [> 4.4468 = 7.4114 < 9.6348] w=0.0784 to align # Constraint # added constraint: constraint((T0324)A180.CB, (T0324)D202.CB) [> 4.3345 = 7.2241 < 9.3913] w=0.0783 to align # Constraint # added constraint: constraint((T0324)A60.CB, (T0324)A130.CB) [> 3.0999 = 5.1665 < 6.7164] w=0.0780 to align # Constraint # added constraint: constraint((T0324)Q18.CB, (T0324)D162.CB) [> 3.8421 = 6.4035 < 8.3245] w=0.0761 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)T133.CB) [> 3.7373 = 6.2288 < 8.0975] w=0.0734 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)M25.CB) [> 4.1012 = 6.8354 < 8.8860] w=0.0713 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)N174.CB) [> 4.2734 = 7.1224 < 9.2591] w=0.0713 to align # Constraint # added constraint: constraint((T0324)V181.CB, (T0324)V193.CB) [> 2.2863 = 3.8105 < 4.9536] w=0.0713 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)E50.CB) [> 3.8977 = 6.4961 < 8.4449] w=0.0713 to align # Constraint # added constraint: constraint((T0324)A157.CB, (T0324)F177.CB) [> 4.3077 = 7.1795 < 9.3333] w=0.0712 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)M124.CB) [> 4.6813 = 7.8022 < 10.1429] w=0.0642 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)M25.CB) [> 4.6505 = 7.7509 < 10.0762] w=0.0642 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)V193.CB) [> 4.7362 = 7.8937 < 10.2619] w=0.0642 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)D132.CB) [> 4.1510 = 6.9184 < 8.9939] w=0.0642 to align # Constraint # added constraint: constraint((T0324)L100.CB, (T0324)T127.CB) [> 4.2381 = 7.0634 < 9.1825] w=0.0642 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)V150.CB) [> 4.0160 = 6.6933 < 8.7012] w=0.0640 to align # Constraint # added constraint: constraint((T0324)Q4.CB, (T0324)L94.CB) [> 4.5335 = 7.5559 < 9.8227] w=0.0640 to align # Constraint # added constraint: constraint((T0324)L14.CB, (T0324)I160.CB) [> 4.4860 = 7.4766 < 9.7196] w=0.0638 to align # Constraint # added constraint: constraint((T0324)Y21.CB, (T0324)V73.CB) [> 3.8738 = 6.4564 < 8.3933] w=0.0577 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)A41.CB) [> 3.5739 = 5.9565 < 7.7435] w=0.0571 to align # Constraint # added constraint: constraint((T0324)V181.CB, (T0324)P200.CB) [> 3.5629 = 5.9381 < 7.7195] w=0.0569 to align # Constraint # added constraint: constraint((T0324)Q93.CB, (T0324)P200.CB) [> 3.1962 = 5.3269 < 6.9250] w=0.0499 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)G57.CA) [> 4.0879 = 6.8131 < 8.8570] w=0.0499 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)F45.CB) [> 2.9609 = 4.9349 < 6.4154] w=0.0499 to align # Constraint # added constraint: constraint((T0324)Y3.CB, (T0324)Q155.CB) [> 4.5671 = 7.6119 < 9.8954] w=0.0499 to align # Constraint # added constraint: constraint((T0324)L111.CB, (T0324)D131.CB) [> 4.4054 = 7.3424 < 9.5451] w=0.0499 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)F66.CB) [> 4.1071 = 6.8452 < 8.8987] w=0.0499 to align # Constraint # added constraint: constraint((T0324)T2.CB, (T0324)V152.CB) [> 4.6899 = 7.8165 < 10.1614] w=0.0498 to align # Constraint # added constraint: constraint((T0324)F63.CB, (T0324)I128.CB) [> 4.0597 = 6.7661 < 8.7959] w=0.0498 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)G183.CA) [> 4.6861 = 7.8102 < 10.1532] w=0.0428 to align # Constraint # added constraint: constraint((T0324)F45.CB, (T0324)S105.CB) [> 4.4997 = 7.4996 < 9.7494] w=0.0428 to align # Constraint # added constraint: constraint((T0324)L158.CB, (T0324)H195.CB) [> 4.0525 = 6.7542 < 8.7805] w=0.0428 to align # Constraint # added constraint: constraint((T0324)M47.CB, (T0324)D162.CB) [> 4.4822 = 7.4702 < 9.7113] w=0.0428 to align # Constraint # added constraint: constraint((T0324)V164.CB, (T0324)V181.CB) [> 4.5856 = 7.6427 < 9.9355] w=0.0428 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)T127.CB) [> 4.6568 = 7.7613 < 10.0897] w=0.0428 to align # Constraint # added constraint: constraint((T0324)S163.CB, (T0324)V181.CB) [> 4.1072 = 6.8453 < 8.8989] w=0.0428 to align # Constraint # added constraint: constraint((T0324)D162.CB, (T0324)P200.CB) [> 4.1996 = 6.9994 < 9.0992] w=0.0428 to align # Constraint # added constraint: constraint((T0324)T127.CB, (T0324)V150.CB) [> 4.1087 = 6.8478 < 8.9021] w=0.0428 to align # Constraint # added constraint: constraint((T0324)T2.CB, (T0324)Q155.CB) [> 4.0676 = 6.7794 < 8.8132] w=0.0428 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)I58.CB) [> 4.2017 = 7.0028 < 9.1036] w=0.0427 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)F45.CB) [> 4.6149 = 7.6915 < 9.9989] w=0.0357 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)M47.CB) [> 4.5919 = 7.6532 < 9.9492] w=0.0357 to align # Constraint # added constraint: constraint((T0324)M1.CB, (T0324)L98.CB) [> 4.5957 = 7.6595 < 9.9573] w=0.0357 to align # Constraint # added constraint: constraint((T0324)V181.CB, (T0324)K192.CB) [> 4.4754 = 7.4590 < 9.6967] w=0.0357 to align # Constraint # added constraint: constraint((T0324)S163.CB, (T0324)L179.CB) [> 3.5478 = 5.9130 < 7.6869] w=0.0356 to align # Constraint # added constraint: constraint((T0324)N156.CB, (T0324)F177.CB) [> 4.3582 = 7.2636 < 9.4427] w=0.0355 to align # Constraint # added constraint: constraint((T0324)A49.CB, (T0324)A60.CB) [> 4.6564 = 7.7606 < 10.0888] w=0.0285 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)P200.CB) [> 4.1083 = 6.8472 < 8.9014] w=0.0285 to align # Constraint # added constraint: constraint((T0324)G161.CA, (T0324)H195.CB) [> 4.0539 = 6.7565 < 8.7835] w=0.0284 to align # Constraint # added constraint: constraint((T0324)F36.CB, (T0324)M53.CB) [> 3.9820 = 6.6367 < 8.6277] w=0.0228 to align # Constraint # added constraint: constraint((T0324)Q42.CB, (T0324)G183.CA) [> 4.1610 = 6.9350 < 9.0155] w=0.0214 to align # Constraint # added constraint: constraint((T0324)I10.CB, (T0324)F120.CB) [> 4.2390 = 7.0651 < 9.1846] w=0.0214 to align # Constraint # added constraint: constraint((T0324)A49.CB, (T0324)I58.CB) [> 4.1157 = 6.8595 < 8.9174] w=0.0214 to align # Constraint # added constraint: constraint((T0324)S105.CB, (T0324)T127.CB) [> 4.3999 = 7.3332 < 9.5331] w=0.0214 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)I81.CB) [> 4.7154 = 7.8590 < 10.2167] w=0.0214 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)F36.CB) [> 3.7962 = 6.3269 < 8.2250] w=0.0214 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)S105.CB) [> 4.4089 = 7.3481 < 9.5526] w=0.0214 to align # Constraint # added constraint: constraint((T0324)A5.CB, (T0324)M121.CB) [> 4.5358 = 7.5596 < 9.8275] w=0.0214 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)T127.CB) [> 4.1678 = 6.9463 < 9.0302] w=0.0214 to align # Constraint # added constraint: constraint((T0324)M74.CB, (T0324)I128.CB) [> 4.3706 = 7.2843 < 9.4695] w=0.0213 to align # Constraint # added constraint: constraint((T0324)D11.CB, (T0324)G161.CA) [> 4.1586 = 6.9310 < 9.0103] w=0.0213 to align # Constraint # added constraint: constraint((T0324)V150.CB, (T0324)V175.CB) [> 4.7339 = 7.8899 < 10.2568] w=0.0210 to align # Constraint # added constraint: constraint((T0324)F8.CB, (T0324)A180.CB) [> 4.4451 = 7.4085 < 9.6310] w=0.0180 to align # Constraint # added constraint: constraint((T0324)L29.CB, (T0324)P46.CB) [> 3.7649 = 6.2749 < 8.1574] w=0.0143 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)P200.CB) [> 3.3268 = 5.5446 < 7.2080] w=0.0143 to align # Constraint # added constraint: constraint((T0324)S163.CB, (T0324)A180.CB) [> 4.4918 = 7.4863 < 9.7323] w=0.0143 to align # Constraint # added constraint: constraint((T0324)M25.CB, (T0324)L100.CB) [> 3.0633 = 5.1055 < 6.6371] w=0.0143 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)L98.CB) [> 2.6512 = 4.4187 < 5.7444] w=0.0143 to align # Constraint # added constraint: constraint((T0324)V28.CB, (T0324)L100.CB) [> 3.3983 = 5.6639 < 7.3631] w=0.0143 to align # Constraint # added constraint: constraint((T0324)M7.CB, (T0324)A172.CB) [> 3.1363 = 5.2272 < 6.7953] w=0.0140 to align # Constraint # added constraint: constraint((T0324)M1.CB, (T0324)L206.CB) [> 3.4914 = 5.8190 < 7.5647] w=0.0071 to align # Constraint # added constraint: constraint((T0324)V103.CB, (T0324)G161.CA) [> 4.7616 = 7.9360 < 10.3168] w=0.0071 to align # Constraint # added constraint: constraint((T0324)G12.CA, (T0324)M25.CB) [> 4.7758 = 7.9597 < 10.3476] w=0.0060 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0324/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0324/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # 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 T0324 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 T0324 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 # Found a chain break before 205 # copying to AlignedFragments data structure # 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 T0324 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 T0324 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 T0324 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 T0324 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 T0324 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 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 118 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 197 # 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 203 # 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 150 # 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 197 # 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 175 # 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 195 # 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 106 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # 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 196 # 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 201 # 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 185 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 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 T0324 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 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 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 T0324 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 T0324 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 T0324 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 T0324 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 201 # 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # 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 199 # 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 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # 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 186 # 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 186 # 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 132 # 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 205 # 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 192 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 15, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 786, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 788, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 790, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 792, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 794, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 796, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 798, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 800, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 802, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 804, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 806, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 808, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 810, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 812, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 814, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 816, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 818, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 820, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 822, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 824, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 826, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 828, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 830, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 832, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 194 # 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 171 # 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 168 # 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 168 # 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 194 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 142 # 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 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0324 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 T0324 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 T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # 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 95 # 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 150 # 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 133 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 196 # 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 201 # 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 196 # 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 207 # 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 201 # 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 T0324 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # 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 193 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 185 # copying to AlignedFragments data structure # 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 # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 183 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 207 # 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 T0324 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 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # 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 138 # 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 189 # 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 192 # 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # 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 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # 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 133 # 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 133 # 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 190 # 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 2 # 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 118 # 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 199 # 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 118 # 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 157 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 192 # 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 190 # 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 189 # 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 138 # 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 138 # 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 139 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 654, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 656, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 236, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 466, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 468, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 118, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 120, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 346, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 198 # 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 T0324 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 T0324 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 T0324 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 T0324 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 95 # 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 139 # 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 157 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # 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 185 # 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 122 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 182 # 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 139 # 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 95 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # 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 190 # 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0324 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 T0324 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 T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0324 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 T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 352, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 658, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 660, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 662, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 664, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 184 # 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 118 # 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 190 # 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 194 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 181 # 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 207 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 Skipped atom 63, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 611, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 732, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 82, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 86, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 774, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 776, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0324 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 Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 642, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 644, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 646, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz Skipped atom 648, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL5.pdb.gz # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 187 # 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 191 # 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 45 # 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: (T0324)T104.O and (T0324)S105.N only 0.000 apart, marking (T0324)S105.N as missing # WARNING: incomplete conformation T0324 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 # Found a chain break before 205 # 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: (T0324)S129.O and (T0324)A130.N only 0.000 apart, marking (T0324)A130.N as missing # WARNING: incomplete conformation T0324 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: (T0324)A180.O and (T0324)V181.N only 0.000 apart, marking (T0324)V181.N as missing # WARNING: incomplete conformation T0324 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: (T0324)T133.O and (T0324)P134.N only 0.000 apart, marking (T0324)P134.N as missing # WARNING: incomplete conformation T0324 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 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # Found a chain break before 191 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 190 # 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 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation mGen-3D_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0324 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 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 259 model score -0.3171 model score -0.4615 model score -0.2970 model score -0.4833 model score -0.4217 model score -0.4736 model score -0.4399 model score -0.5011 model score -0.4999 model score -0.4754 model score -0.0509 model score -0.4245 model score 0.1338 model score -0.5022 model score -0.4813 model score -0.6406 model score 1.1472 model score 1.2778 model score 1.3951 model score 1.6322 model score 1.7393 model score 1.8339 model score 1.6802 model score 1.7854 model score 1.9204 model score -0.4195 model score -0.5545 model score -0.5288 model score -0.5544 model score -0.2001 model score -0.1853 model score -0.5094 model score -0.5333 model score -0.4677 model score -0.4778 model score -0.3614 model score 0.1357 model score -0.0436 model score 0.0944 model score 0.4319 model score -0.4745 model score -0.0617 model score 1.2596 model score 1.2599 model score 1.2615 model score 1.2636 model score 1.2609 model score -0.4778 model score -0.5433 model score -0.5198 model score -0.5366 model score -0.4677 model score -0.5128 model score -0.5333 model score -0.4778 model score -0.4778 model score -0.4677 model score -0.6206 model score 1.1801 model score 1.0630 model score 1.0460 model score 1.1005 model score 1.2664 model score 1.2597 model score 1.2592 model score 1.2594 model score 1.2562 model score 1.2664 model score 1.2592 model score 1.2597 model score 1.2562 model score 1.2592 model score 2.1488 model score 2.0649 model score 2.3311 model score 2.3336 model score 2.5086 model score -0.5172 model score -0.1932 model score -0.0682 model score -0.0570 model score -0.0488 model score 1.2562 model score 1.2584 model score 1.2564 model score 1.2551 model score 1.2587 model score -0.4647 model score -0.3336 model score -0.5480 model score -0.3629 model score -0.4284 model score -0.5063 model score -0.5069 model score -0.4209 model score -0.5001 model score -0.3888 model score -0.5315 model score -0.3977 model score -0.3862 model score -0.4190 model score 0.0486 model score -0.4367 model score 0.1985 model score -0.1704 model score 0.1192 model score -0.0477 model score -0.1656 model score 0.0965 model score -0.1803 model score -0.4707 model score -0.5636 model score -0.4897 model score -0.5036 model score -0.5552 model score -0.3765 model score -0.5636 model score -0.5036 model score -0.4809 model score -0.5609 model score -0.5650 model score -0.3366 model score -0.2135 model score -0.4220 model score -0.5074 model score 0.1192 model score -0.5218 model score -0.5236 model score -0.5226 model score -0.4394 model score -0.4472 model score -0.3976 model score -0.3986 model score -0.4347 model score -0.4530 model score -0.5225 model score -0.5233 model score -0.5440 model score -0.5765 model score -0.3734 model score -0.3928 model score -0.4382 model score -0.4811 model score -0.4342 model score -0.4844 model score -0.4387 model score -0.4401 model score -0.4931 model score -0.5132 model score -0.5049 model score -0.5094 model score -0.5765 model score -0.5278 model score -0.5413 model score -0.5461 model score -0.5216 model score -0.5053 model score -0.5313 model score -0.2081 model score -0.5109 model score -0.4095 model score -0.3969 model score -0.5412 model score -0.2330 model score -0.5444 model score -0.4174 model score -0.3952 model score -0.5094 model score -0.4880 model score -0.5049 model score -0.5132 model score -0.5366 model score -0.5510 model score -0.3771 model score -0.1525 model score -0.4916 model score -0.2156 model score 1.2562 model score 1.2597 model score 1.2567 model score 1.2592 model score 1.2585 model score 1.2594 model score 1.2562 model score 1.2592 model score 1.2601 model score 1.2592 model score -0.4445 model score 0.0102 model score -0.3100 model score -0.0760 model score -0.2408 model score -0.3438 model score -0.5461 model score 0.0128 model score -0.3654 model score -0.2791 model score -0.5461 model score -0.3649 model score 0.0114 model score -0.3654 model score -0.4000 model score -0.5453 model score -0.3438 model score -0.1112 model score -0.3694 model score -0.3413 model score 1.2562 model score 1.2592 model score 1.2597 model score 1.2584 model score 1.2584 model score -0.5473 model score 1.2562 model score 1.2592 model score 1.2597 model score 1.2584 model score 1.2567 model score -0.6016 model score -0.6068 model score -0.3695 model score -0.3929 model score -0.3367 model score -0.5455 model score -0.5125 model score 1.2565 model score 1.2667 model score 1.2568 model score 1.2667 model score 1.2688 model score 1.2674 model score 1.2709 model score -0.5446 model score -0.5531 model score -0.5442 model score -0.2869 model score -0.5528 model score 1.9872 model score 2.4044 model score 2.3216 model score 1.9057 model score 2.0127 model score -0.2868 model score -0.4348 model score -0.4625 model score -0.4820 model score -0.4104 model score -0.4094 model score -0.4952 model score -0.5095 model score -0.5292 model score -0.5167 model score -0.4044 model score -0.3818 model score -0.5069 model score -0.4617 model score -0.2251 model score -0.0765 model score -0.4655 weight: 0.9076 eval: -0.3171 min: -0.6406 max: 2.5086 weight: 0.9488 eval: -0.4615 min: -0.6406 max: 2.5086 weight: 0.9018 eval: -0.2970 min: -0.6406 max: 2.5086 weight: 0.9550 eval: -0.4833 min: -0.6406 max: 2.5086 weight: 0.9374 eval: -0.4217 min: -0.6406 max: 2.5086 weight: 0.9523 eval: -0.4736 min: -0.6406 max: 2.5086 weight: 0.9426 eval: -0.4399 min: -0.6406 max: 2.5086 weight: 0.9601 eval: -0.5011 min: -0.6406 max: 2.5086 weight: 0.9598 eval: -0.4999 min: -0.6406 max: 2.5086 weight: 0.9528 eval: -0.4754 min: -0.6406 max: 2.5086 weight: 0.8315 eval: -0.0509 min: -0.6406 max: 2.5086 weight: 0.9382 eval: -0.4245 min: -0.6406 max: 2.5086 weight: 0.7787 eval: 0.1338 min: -0.6406 max: 2.5086 weight: 0.9604 eval: -0.5022 min: -0.6406 max: 2.5086 weight: 0.9545 eval: -0.4813 min: -0.6406 max: 2.5086 weight: 1.0000 eval: -0.6406 min: -0.6406 max: 2.5086 weight: 0.4891 eval: 1.1472 min: -0.6406 max: 2.5086 weight: 0.4517 eval: 1.2778 min: -0.6406 max: 2.5086 weight: 0.4182 eval: 1.3951 min: -0.6406 max: 2.5086 weight: 0.3504 eval: 1.6322 min: -0.6406 max: 2.5086 weight: 0.3199 eval: 1.7393 min: -0.6406 max: 2.5086 weight: 0.2928 eval: 1.8339 min: -0.6406 max: 2.5086 weight: 0.3367 eval: 1.6802 min: -0.6406 max: 2.5086 weight: 0.3067 eval: 1.7854 min: -0.6406 max: 2.5086 weight: 0.2681 eval: 1.9204 min: -0.6406 max: 2.5086 weight: 0.9368 eval: -0.4195 min: -0.6406 max: 2.5086 weight: 0.9754 eval: -0.5545 min: -0.6406 max: 2.5086 weight: 0.9680 eval: -0.5288 min: -0.6406 max: 2.5086 weight: 0.9754 eval: -0.5544 min: -0.6406 max: 2.5086 weight: 0.8741 eval: -0.2001 min: -0.6406 max: 2.5086 weight: 0.8699 eval: -0.1853 min: -0.6406 max: 2.5086 weight: 0.9625 eval: -0.5094 min: -0.6406 max: 2.5086 weight: 0.9693 eval: -0.5333 min: -0.6406 max: 2.5086 weight: 0.9506 eval: -0.4677 min: -0.6406 max: 2.5086 weight: 0.9535 eval: -0.4778 min: -0.6406 max: 2.5086 weight: 0.9202 eval: -0.3614 min: -0.6406 max: 2.5086 weight: 0.7781 eval: 0.1357 min: -0.6406 max: 2.5086 weight: 0.8294 eval: -0.0436 min: -0.6406 max: 2.5086 weight: 0.7899 eval: 0.0944 min: -0.6406 max: 2.5086 weight: 0.6935 eval: 0.4319 min: -0.6406 max: 2.5086 weight: 0.9525 eval: -0.4745 min: -0.6406 max: 2.5086 weight: 0.8346 eval: -0.0617 min: -0.6406 max: 2.5086 weight: 0.4569 eval: 1.2596 min: -0.6406 max: 2.5086 weight: 0.4569 eval: 1.2599 min: -0.6406 max: 2.5086 weight: 0.4564 eval: 1.2615 min: -0.6406 max: 2.5086 weight: 0.4558 eval: 1.2636 min: -0.6406 max: 2.5086 weight: 0.4566 eval: 1.2609 min: -0.6406 max: 2.5086 weight: 0.9535 eval: -0.4778 min: -0.6406 max: 2.5086 weight: 0.9722 eval: -0.5433 min: -0.6406 max: 2.5086 weight: 0.9655 eval: -0.5198 min: -0.6406 max: 2.5086 weight: 0.9703 eval: -0.5366 min: -0.6406 max: 2.5086 weight: 0.9506 eval: -0.4677 min: -0.6406 max: 2.5086 weight: 0.9635 eval: -0.5128 min: -0.6406 max: 2.5086 weight: 0.9693 eval: -0.5333 min: -0.6406 max: 2.5086 weight: 0.9535 eval: -0.4778 min: -0.6406 max: 2.5086 weight: 0.9535 eval: -0.4778 min: -0.6406 max: 2.5086 weight: 0.9506 eval: -0.4677 min: -0.6406 max: 2.5086 weight: 0.9943 eval: -0.6206 min: -0.6406 max: 2.5086 weight: 0.4797 eval: 1.1801 min: -0.6406 max: 2.5086 weight: 0.5131 eval: 1.0630 min: -0.6406 max: 2.5086 weight: 0.5180 eval: 1.0460 min: -0.6406 max: 2.5086 weight: 0.5024 eval: 1.1005 min: -0.6406 max: 2.5086 weight: 0.4550 eval: 1.2664 min: -0.6406 max: 2.5086 weight: 0.4569 eval: 1.2597 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2594 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2562 min: -0.6406 max: 2.5086 weight: 0.4550 eval: 1.2664 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.4569 eval: 1.2597 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2562 min: -0.6406 max: 2.5086 weight: 0.4571 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.2028 eval: 2.1488 min: -0.6406 max: 2.5086 weight: 0.2268 eval: 2.0649 min: -0.6406 max: 2.5086 weight: 0.1507 eval: 2.3311 min: -0.6406 max: 2.5086 weight: 0.1500 eval: 2.3336 min: -0.6406 max: 2.5086 weight: 0.1000 eval: 2.5086 min: -0.6406 max: 2.5086 weight: 0.9647 eval: -0.5172 min: -0.6406 max: 2.5086 weight: 0.8721 eval: -0.1932 min: -0.6406 max: 2.5086 weight: 0.8364 eval: -0.0682 min: -0.6406 max: 2.5086 weight: 0.8332 eval: -0.0570 min: -0.6406 max: 2.5086 weight: 0.8309 eval: -0.0488 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2562 min: -0.6406 max: 2.5086 weight: 0.4573 eval: 1.2584 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2564 min: -0.6406 max: 2.5086 weight: 0.4582 eval: 1.2551 min: -0.6406 max: 2.5086 weight: 0.4572 eval: 1.2587 min: -0.6406 max: 2.5086 weight: 0.9497 eval: -0.4647 min: -0.6406 max: 2.5086 weight: 0.9123 eval: -0.3336 min: -0.6406 max: 2.5086 weight: 0.9735 eval: -0.5480 min: -0.6406 max: 2.5086 weight: 0.9206 eval: -0.3629 min: -0.6406 max: 2.5086 weight: 0.9394 eval: -0.4284 min: -0.6406 max: 2.5086 weight: 0.9616 eval: -0.5063 min: -0.6406 max: 2.5086 weight: 0.9618 eval: -0.5069 min: -0.6406 max: 2.5086 weight: 0.9372 eval: -0.4209 min: -0.6406 max: 2.5086 weight: 0.9598 eval: -0.5001 min: -0.6406 max: 2.5086 weight: 0.9280 eval: -0.3888 min: -0.6406 max: 2.5086 weight: 0.9688 eval: -0.5315 min: -0.6406 max: 2.5086 weight: 0.9306 eval: -0.3977 min: -0.6406 max: 2.5086 weight: 0.9273 eval: -0.3862 min: -0.6406 max: 2.5086 weight: 0.9367 eval: -0.4190 min: -0.6406 max: 2.5086 weight: 0.8030 eval: 0.0486 min: -0.6406 max: 2.5086 weight: 0.9417 eval: -0.4367 min: -0.6406 max: 2.5086 weight: 0.7602 eval: 0.1985 min: -0.6406 max: 2.5086 weight: 0.8656 eval: -0.1704 min: -0.6406 max: 2.5086 weight: 0.7828 eval: 0.1192 min: -0.6406 max: 2.5086 weight: 0.8305 eval: -0.0477 min: -0.6406 max: 2.5086 weight: 0.8642 eval: -0.1656 min: -0.6406 max: 2.5086 weight: 0.7893 eval: 0.0965 min: -0.6406 max: 2.5086 weight: 0.8685 eval: -0.1803 min: -0.6406 max: 2.5086 weight: 0.9514 eval: -0.4707 min: -0.6406 max: 2.5086 weight: 0.9780 eval: -0.5636 min: -0.6406 max: 2.5086 weight: 0.9569 eval: -0.4897 min: -0.6406 max: 2.5086 weight: 0.9608 eval: -0.5036 min: -0.6406 max: 2.5086 weight: 0.9756 eval: -0.5552 min: -0.6406 max: 2.5086 weight: 0.9245 eval: -0.3765 min: -0.6406 max: 2.5086 weight: 0.9780 eval: -0.5636 min: -0.6406 max: 2.5086 weight: 0.9608 eval: -0.5036 min: -0.6406 max: 2.5086 weight: 0.9544 eval: -0.4809 min: -0.6406 max: 2.5086 weight: 0.9772 eval: -0.5609 min: -0.6406 max: 2.5086 weight: 0.9784 eval: -0.5650 min: -0.6406 max: 2.5086 weight: 0.9131 eval: -0.3366 min: -0.6406 max: 2.5086 weight: 0.8779 eval: -0.2135 min: -0.6406 max: 2.5086 weight: 0.9375 eval: -0.4220 min: -0.6406 max: 2.5086 weight: 0.9619 eval: -0.5074 min: -0.6406 max: 2.5086 weight: 0.7828 eval: 0.1192 min: -0.6406 max: 2.5086 weight: 0.9660 eval: -0.5218 min: -0.6406 max: 2.5086 weight: 0.9666 eval: -0.5236 min: -0.6406 max: 2.5086 weight: 0.9663 eval: -0.5226 min: -0.6406 max: 2.5086 weight: 0.9425 eval: -0.4394 min: -0.6406 max: 2.5086 weight: 0.9447 eval: -0.4472 min: -0.6406 max: 2.5086 weight: 0.9305 eval: -0.3976 min: -0.6406 max: 2.5086 weight: 0.9308 eval: -0.3986 min: -0.6406 max: 2.5086 weight: 0.9412 eval: -0.4347 min: -0.6406 max: 2.5086 weight: 0.9464 eval: -0.4530 min: -0.6406 max: 2.5086 weight: 0.9662 eval: -0.5225 min: -0.6406 max: 2.5086 weight: 0.9665 eval: -0.5233 min: -0.6406 max: 2.5086 weight: 0.9724 eval: -0.5440 min: -0.6406 max: 2.5086 weight: 0.9817 eval: -0.5765 min: -0.6406 max: 2.5086 weight: 0.9236 eval: -0.3734 min: -0.6406 max: 2.5086 weight: 0.9292 eval: -0.3928 min: -0.6406 max: 2.5086 weight: 0.9422 eval: -0.4382 min: -0.6406 max: 2.5086 weight: 0.9544 eval: -0.4811 min: -0.6406 max: 2.5086 weight: 0.9410 eval: -0.4342 min: -0.6406 max: 2.5086 weight: 0.9553 eval: -0.4844 min: -0.6406 max: 2.5086 weight: 0.9423 eval: -0.4387 min: -0.6406 max: 2.5086 weight: 0.9427 eval: -0.4401 min: -0.6406 max: 2.5086 weight: 0.9578 eval: -0.4931 min: -0.6406 max: 2.5086 weight: 0.9636 eval: -0.5132 min: -0.6406 max: 2.5086 weight: 0.9612 eval: -0.5049 min: -0.6406 max: 2.5086 weight: 0.9625 eval: -0.5094 min: -0.6406 max: 2.5086 weight: 0.9817 eval: -0.5765 min: -0.6406 max: 2.5086 weight: 0.9678 eval: -0.5278 min: -0.6406 max: 2.5086 weight: 0.9716 eval: -0.5413 min: -0.6406 max: 2.5086 weight: 0.9730 eval: -0.5461 min: -0.6406 max: 2.5086 weight: 0.9660 eval: -0.5216 min: -0.6406 max: 2.5086 weight: 0.9613 eval: -0.5053 min: -0.6406 max: 2.5086 weight: 0.9688 eval: -0.5313 min: -0.6406 max: 2.5086 weight: 0.8764 eval: -0.2081 min: -0.6406 max: 2.5086 weight: 0.9629 eval: -0.5109 min: -0.6406 max: 2.5086 weight: 0.9339 eval: -0.4095 min: -0.6406 max: 2.5086 weight: 0.9303 eval: -0.3969 min: -0.6406 max: 2.5086 weight: 0.9716 eval: -0.5412 min: -0.6406 max: 2.5086 weight: 0.8835 eval: -0.2330 min: -0.6406 max: 2.5086 weight: 0.9725 eval: -0.5444 min: -0.6406 max: 2.5086 weight: 0.9362 eval: -0.4174 min: -0.6406 max: 2.5086 weight: 0.9299 eval: -0.3952 min: -0.6406 max: 2.5086 weight: 0.9625 eval: -0.5094 min: -0.6406 max: 2.5086 weight: 0.9564 eval: -0.4880 min: -0.6406 max: 2.5086 weight: 0.9612 eval: -0.5049 min: -0.6406 max: 2.5086 weight: 0.9636 eval: -0.5132 min: -0.6406 max: 2.5086 weight: 0.9703 eval: -0.5366 min: -0.6406 max: 2.5086 weight: 0.9744 eval: -0.5510 min: -0.6406 max: 2.5086 weight: 0.9247 eval: -0.3771 min: -0.6406 max: 2.5086 weight: 0.8605 eval: -0.1525 min: -0.6406 max: 2.5086 weight: 0.9574 eval: -0.4916 min: -0.6406 max: 2.5086 weight: 0.8785 eval: -0.2156 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2562 min: -0.6406 max: 2.5086 weight: 0.4569 eval: 1.2597 min: -0.6406 max: 2.5086 weight: 0.4578 eval: 1.2567 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.4573 eval: 1.2585 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2594 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2562 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.4568 eval: 1.2601 min: -0.6406 max: 2.5086 weight: 0.4571 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.9440 eval: -0.4445 min: -0.6406 max: 2.5086 weight: 0.8140 eval: 0.0102 min: -0.6406 max: 2.5086 weight: 0.9055 eval: -0.3100 min: -0.6406 max: 2.5086 weight: 0.8386 eval: -0.0760 min: -0.6406 max: 2.5086 weight: 0.8857 eval: -0.2408 min: -0.6406 max: 2.5086 weight: 0.9152 eval: -0.3438 min: -0.6406 max: 2.5086 weight: 0.9730 eval: -0.5461 min: -0.6406 max: 2.5086 weight: 0.8133 eval: 0.0128 min: -0.6406 max: 2.5086 weight: 0.9213 eval: -0.3654 min: -0.6406 max: 2.5086 weight: 0.8967 eval: -0.2791 min: -0.6406 max: 2.5086 weight: 0.9730 eval: -0.5461 min: -0.6406 max: 2.5086 weight: 0.9212 eval: -0.3649 min: -0.6406 max: 2.5086 weight: 0.8136 eval: 0.0114 min: -0.6406 max: 2.5086 weight: 0.9213 eval: -0.3654 min: -0.6406 max: 2.5086 weight: 0.9312 eval: -0.4000 min: -0.6406 max: 2.5086 weight: 0.9728 eval: -0.5453 min: -0.6406 max: 2.5086 weight: 0.9152 eval: -0.3438 min: -0.6406 max: 2.5086 weight: 0.8487 eval: -0.1112 min: -0.6406 max: 2.5086 weight: 0.9225 eval: -0.3694 min: -0.6406 max: 2.5086 weight: 0.9144 eval: -0.3413 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2562 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.4569 eval: 1.2597 min: -0.6406 max: 2.5086 weight: 0.4573 eval: 1.2584 min: -0.6406 max: 2.5086 weight: 0.4573 eval: 1.2584 min: -0.6406 max: 2.5086 weight: 0.9733 eval: -0.5473 min: -0.6406 max: 2.5086 weight: 0.4579 eval: 1.2562 min: -0.6406 max: 2.5086 weight: 0.4570 eval: 1.2592 min: -0.6406 max: 2.5086 weight: 0.4569 eval: 1.2597 min: -0.6406 max: 2.5086 weight: 0.4573 eval: 1.2584 min: -0.6406 max: 2.5086 weight: 0.4578 eval: 1.2567 min: -0.6406 max: 2.5086 weight: 0.9888 eval: -0.6016 min: -0.6406 max: 2.5086 weight: 0.9903 eval: -0.6068 min: -0.6406 max: 2.5086 weight: 0.9225 eval: -0.3695 min: -0.6406 max: 2.5086 weight: 0.9292 eval: -0.3929 min: -0.6406 max: 2.5086 weight: 0.9131 eval: -0.3367 min: -0.6406 max: 2.5086 weight: 0.9728 eval: -0.5455 min: -0.6406 max: 2.5086 weight: 0.9634 eval: -0.5125 min: -0.6406 max: 2.5086 weight: 0.4578 eval: 1.2565 min: -0.6406 max: 2.5086 weight: 0.4549 eval: 1.2667 min: -0.6406 max: 2.5086 weight: 0.4578 eval: 1.2568 min: -0.6406 max: 2.5086 weight: 0.4549 eval: 1.2667 min: -0.6406 max: 2.5086 weight: 0.4543 eval: 1.2688 min: -0.6406 max: 2.5086 weight: 0.4547 eval: 1.2674 min: -0.6406 max: 2.5086 weight: 0.4537 eval: 1.2709 min: -0.6406 max: 2.5086 weight: 0.9726 eval: -0.5446 min: -0.6406 max: 2.5086 weight: 0.9750 eval: -0.5531 min: -0.6406 max: 2.5086 weight: 0.9724 eval: -0.5442 min: -0.6406 max: 2.5086 weight: 0.8989 eval: -0.2869 min: -0.6406 max: 2.5086 weight: 0.9749 eval: -0.5528 min: -0.6406 max: 2.5086 weight: 0.2490 eval: 1.9872 min: -0.6406 max: 2.5086 weight: 0.1298 eval: 2.4044 min: -0.6406 max: 2.5086 weight: 0.1534 eval: 2.3216 min: -0.6406 max: 2.5086 weight: 0.2723 eval: 1.9057 min: -0.6406 max: 2.5086 weight: 0.2417 eval: 2.0127 min: -0.6406 max: 2.5086 weight: 0.8989 eval: -0.2868 min: -0.6406 max: 2.5086 weight: 0.9412 eval: -0.4348 min: -0.6406 max: 2.5086 weight: 0.9491 eval: -0.4625 min: -0.6406 max: 2.5086 weight: 0.9547 eval: -0.4820 min: -0.6406 max: 2.5086 weight: 0.9342 eval: -0.4104 min: -0.6406 max: 2.5086 weight: 0.9339 eval: -0.4094 min: -0.6406 max: 2.5086 weight: 0.9584 eval: -0.4952 min: -0.6406 max: 2.5086 weight: 0.9625 eval: -0.5095 min: -0.6406 max: 2.5086 weight: 0.9682 eval: -0.5292 min: -0.6406 max: 2.5086 weight: 0.9646 eval: -0.5167 min: -0.6406 max: 2.5086 weight: 0.9325 eval: -0.4044 min: -0.6406 max: 2.5086 weight: 0.9260 eval: -0.3818 min: -0.6406 max: 2.5086 weight: 0.9618 eval: -0.5069 min: -0.6406 max: 2.5086 weight: 0.9489 eval: -0.4617 min: -0.6406 max: 2.5086 weight: 0.8813 eval: -0.2251 min: -0.6406 max: 2.5086 weight: 0.8388 eval: -0.0765 min: -0.6406 max: 2.5086 weight: 0.9500 eval: -0.4655 min: -0.6406 max: 2.5086 Adding 6038 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: -343.6532, CN propb: -343.6532 weights: 0.4581 constraints: 522 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 522 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 522 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 5516 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 5516 # 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 6038 # command: