# command:# Seed set to 1030414252 # command:# Prefix for input files set to # command:# reading script from file define-score.script # Prefix for input files set to /projects/kestrel/users/karplus/burial/undertaker/atoms-inputs/ # reading monomeric-50pc.atoms # After reading monomeric-50pc.atoms have 448 chains in training database # 111547 residues have no bad marker # 670 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 28 # Note: may sum to more than number of residues, # because one residue may have multiple problems # Reading rotamer library from monomeric-50pc.rot # Prefix for input files set to /projects/kestrel/users/karplus/burial/undertaker/spots/ # ReadAtomType pdb-name.types Read AtomType pdb-name with 37 types. # ReadClashTable pdb-atom-name.clash # Read ClashTable pdb-atom-name Reading spots from monomeric-50pc-dry-5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 Reading spots from monomeric-50pc-wet-6.5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 Reading spots from monomeric-50pc-dry-6.5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 Reading spots from monomeric-50pc-generic-6.5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 Reading spots from monomeric-50pc-dry-8.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 Reading spots from monomeric-50pc-dry-10.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 Reading spots from monomeric-50pc-dry-12.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 # reading histogram from monomeric-smoothed-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # reading histogram from monomeric-smoothed-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins CPU_time= 10860 msec, elapsed time= 11945.5 msec) # Prefix for input files set to # Reading target chain from PDB file T0136.blank.pdb Read PDB file T0136.blank.pdb as target. Have 105 residues and 798 atoms. # No conformations to remove in PopConform # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 3 alphabets from alpha.alphabet # Prefix for input files set to # reading predictions from T0136.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2 with 360 bins # SetCost created cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # command:CPU_time= 13930 msec, elapsed time= 15117.7 msec) # command:# Making generic fragment library # fragment library contains # type length num_fragments num_indexes_used # n-terminus 1 407 20 (100%) # n-terminus 2 408 196 (49%) # middle 1 109496 20 (100%) # middle 2 108592 400 (100%) # middle 3 107719 7822 (97.775%) # middle 4 106865 64233 (40.1456%) # c-terminus 1 408 20 (100%) # c-terminus 2 406 227 (56.75%) # ss-bonds 409 # command:CPU_time= 18890 msec, elapsed time= 20080.1 msec) # command:# Prefix for output files set to decoys/ # command:# created conformation for T0136 from sequence in target chain replacing old conformation. # command:# naming current conformation T0136.rand # command:CPU_time= 18890 msec, elapsed time= 20082.5 msec) # command:# Prefix for input files set to # command:Couldn't open file Template.atoms or Template.atoms.gz for input Trying Template.atoms Couldn't open file Template.atoms or Template.atoms.gz for input # command:# reading script from file T0136.t2k.undertaker-align.script # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 101 :HGVTPGDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.80136 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and C(291) at 66.309 94.731 -3.081 in (null):D-9999 (37) other bump:2.11931 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and O(290) at 65.344 94.057 -2.707 in (null):D-9999 (37) neighbor-bump: 2.24832 Ang OD1(281) at 64.6489 92.9606 -6.23664 in (null):N-9999 (36) and N(284) at 66.474 93.14 -4.936 in (null):D-9999 (37) other bump:2.6175 Ang OD1(48) at 63.7712 85.8307 -0.202123 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.99406 Ang CB(46) at 63.4919 84.3949 1.66036 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.94923 Ang CG(47) at 63.5804 85.7406 0.976536 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) neighbor-bump: 1.62716 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.68575 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.1103 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) neighbor-bump: 2.74205 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) other bump:2.64084 Ang CB(80) at 63.5007 78.0281 8.78926 in (null):E-9999 (11) and OE2(221) at 62.1439 76.0862 7.62213 in (null):E-9999 (28) other bump:2.25288 Ang CD2(131) at 55.164 82.304 17.76 in (null):L-9999 (17) and OE1(179) at 53.9205 80.6475 18.6462 in (null):Q-9999 (23) other bump:2.47755 Ang O(157) at 54.842 78.03 22.57 in (null):F-9999 (20) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) other bump:2.37053 Ang O(132) at 56.505 78.443 19.579 in (null):L-9999 (17) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) neighbor-bump: 1.56228 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.89609 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.66417 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 0.68551 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) self-bump: 1.31466 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 2.9273 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.70562 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.79245 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) self-bump: 2.178 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.97582 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.32124 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.46997 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) self-bump: 2.21478 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) self-bump: 1.26679 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 3 total=3 Number of alignments=1 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSP 1llp 101 :HGVTPGDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAP Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.80136 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and C(291) at 66.309 94.731 -3.081 in (null):D-9999 (37) other bump:2.11931 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and O(290) at 65.344 94.057 -2.707 in (null):D-9999 (37) neighbor-bump: 2.24832 Ang OD1(281) at 64.6489 92.9606 -6.23664 in (null):N-9999 (36) and N(284) at 66.474 93.14 -4.936 in (null):D-9999 (37) other bump:2.6175 Ang OD1(48) at 63.7712 85.8307 -0.202123 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.99406 Ang CB(46) at 63.4919 84.3949 1.66036 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.94923 Ang CG(47) at 63.5804 85.7406 0.976536 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) neighbor-bump: 1.62716 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.68575 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.1103 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) neighbor-bump: 2.74205 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) other bump:2.64084 Ang CB(80) at 63.5007 78.0281 8.78926 in (null):E-9999 (11) and OE2(221) at 62.1439 76.0862 7.62213 in (null):E-9999 (28) other bump:2.25288 Ang CD2(131) at 55.164 82.304 17.76 in (null):L-9999 (17) and OE1(179) at 53.9205 80.6475 18.6462 in (null):Q-9999 (23) other bump:2.47755 Ang O(157) at 54.842 78.03 22.57 in (null):F-9999 (20) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) other bump:2.37053 Ang O(132) at 56.505 78.443 19.579 in (null):L-9999 (17) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) neighbor-bump: 1.56228 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.89609 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.66417 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 0.68551 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) self-bump: 1.31466 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 2.9273 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.70562 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.79245 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) self-bump: 2.178 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.97582 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.32124 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.46997 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) self-bump: 2.21478 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) self-bump: 1.26679 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) T0136 69 :RDIVPIDGK 1llp 141 :DGLVPEPFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 81 :DVRDVIAKIVDWGDYLEVKAGY 1llp 150 :TVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.28346 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.686 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.26673 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.87294 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.7707 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.97645 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.43858 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:1.47474 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.74763 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.58842 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.64244 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.16509 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.29898 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.53458 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:1.89003 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.76789 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.9174 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) Number of specific fragments= 3 total=6 Number of alignments=2 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1qpaA to template set 1qpaA:# found chain 1qpaA in template set T0136 26 :FVAEDDDAAELIAKK 1qpaA 102 :GVTPGDFIAFAGAVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.80641 Ang CD(72) at 10.6176 29.4714 72.491 in (null):E-9999 (10) and NZ(104) at 9.51978 31.0597 70.4543 in (null):K-9999 (14) other bump:2.79432 Ang OD2(55) at 4.82138 32.3028 76.5138 in (null):D-9999 (7) and CD1(81) at 5.16786 33.6345 74.0818 in (null):L-9999 (11) T0136 42 :LSFLPQNNTEEASFVNPNNDVSPN 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 69 :RDIVPIDGK 1qpaA 141 :DGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95578 Ang CD1(48) at 4.53387 56.607 86.5362 in (null):I-9999 (6) and NZ(69) at 5.32458 58.1329 87.4697 in (null):K-9999 (9) other bump:2.56483 Ang O(0) at 6.256 46.281 91.372 in (null):G-9999 (0) and CD1(26) at 8.81399 46.3385 91.5502 in (null):I-9999 (3) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) Number of specific fragments= 4 total=10 Number of alignments=3 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 42 :LSFLPQNNTEEASFVNPNNDVSPN 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 69 :RDIVPIDGKK 1qpaA 141 :DGLVPEPFHT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.56483 Ang O(0) at 6.256 46.281 91.372 in (null):G-9999 (0) and CD1(26) at 8.81399 46.3385 91.5502 in (null):I-9999 (3) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 3 total=13 Number of alignments=4 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1fchA to template set 1fchA:# found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=15 Number of alignments=5 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=17 Number of alignments=6 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1aisA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1aisA to template set 1aisA:# found chain 1aisA in template set T0136 21 :SG 1aisA 153 :SG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 23 :NIHFVAEDDDAAELIAKKLLSFLPQ 1aisA 156 :IVCSGAKSEADAWEAVRKLLRELDK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.81077 Ang CB(177) at -47.02 26.081 70.47 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.92273 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.0742 Ang C(182) at -47.593 26.903 68.179 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) self-bump: 1.27602 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:2.84675 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.38128 Ang N(175) at -46.876 28.504 69.954 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.40191 Ang CA(176) at -46.717 27.152 69.408 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.41192 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) self-bump: 2.1492 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.60934 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.55632 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CB(185) at -50.988 27.9102 68.0433 in (null):P-9999 (24) neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 2 total=19 Number of alignments=7 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1aisA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 23 :NIHFVAEDDDAAELIAKKLLSFLPQ 1aisA 156 :IVCSGAKSEADAWEAVRKLLRELDK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.81077 Ang CB(177) at -47.02 26.081 70.47 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.92273 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.0742 Ang C(182) at -47.593 26.903 68.179 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) self-bump: 1.27602 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:2.84675 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.38128 Ang N(175) at -46.876 28.504 69.954 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.40191 Ang CA(176) at -46.717 27.152 69.408 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.41192 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) self-bump: 2.1492 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.60934 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.55632 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CB(185) at -50.988 27.9102 68.0433 in (null):P-9999 (24) neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 1 total=20 Number of alignments=8 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 2e2c read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 2e2c to template set 2e2c:# found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 66 :TELRDIVPIDGKKGYDVRDVIAKI 2e2c 112 :NICLDILKENWTASYDVRTILLSL Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.66308 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.54836 Ang CD(13) at 13.1104 43.2379 70.6508 in (null):E-9999 (2) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:1.5687 Ang OE2(15) at 12.7704 44.2992 70.0832 in (null):E-9999 (2) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.96476 Ang NE(31) at 9.71562 42.9966 70.5623 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.1036 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:1.63468 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.78828 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CG2(188) at 10.037 46.0862 66.9269 in (null):I-9999 (24) other bump:2.37592 Ang OE2(15) at 12.7704 44.2992 70.0832 in (null):E-9999 (2) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:2.69803 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:1.5261 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:2.42989 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CB(186) at 10.0565 45.6879 68.411 in (null):I-9999 (24) other bump:1.34753 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CB(186) at 10.0565 45.6879 68.411 in (null):I-9999 (24) other bump:2.38746 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.50299 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.11887 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.6254 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):I-9999 (24) other bump:2.88786 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):I-9999 (24) other bump:2.95349 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and C(183) at 6.663 46.27 69.93 in (null):K-9999 (23) other bump:2.50615 Ang CD1(50) at 6.216 40.81 70.798 in (null):I-9999 (6) and CD(179) at 4.12545 42.1701 71.044 in (null):K-9999 (23) other bump:2.31764 Ang CB(39) at 7.815 40.386 77.478 in (null):D-9999 (5) and OD2(80) at 6.65897 38.6878 78.5509 in (null):D-9999 (10) other bump:3.16059 Ang C(44) at 8.442 38.811 75.634 in (null):D-9999 (5) and CB(77) at 6.18226 37.0224 76.9316 in (null):D-9999 (10) other bump:2.95269 Ang CD(30) at 8.98398 42.3092 71.623 in (null):R-9999 (4) and CG1(48) at 7.01 40.127 71.868 in (null):I-9999 (6) Number of specific fragments= 2 total=22 Number of alignments=9 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 2e2c read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=24 Number of alignments=10 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1dguA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1dguA to template set 1dguA:# found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNN 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 56 :VNPNNDVSPNTELRDIVPIDGKKGYDVRDVIAKIV 1dguA 35 :RSVESSLRAQVPFEQILSLPELKANPFKERICRVF Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:3.08984 Ang CG(186) at 58.8634 28.2165 58.129 in (null):Y-9999 (25) and CZ(216) at 59.4841 27.0698 60.9302 in (null):R-9999 (28) other bump:1.92683 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.81308 Ang C(160) at 56.639 24.389 57.641 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.18332 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CD1(187) at 58.1757 27.1767 57.5309 in (null):Y-9999 (25) other bump:2.42147 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.18753 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.08226 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42951 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.45636 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.95769 Ang N(119) at 62.652 16.717 61.1 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.30845 Ang CA(120) at 62.08 18.102 61.19 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.66681 Ang C(126) at 61.544 18.633 59.809 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) neighbor-bump: 2.56935 Ang N(127) at 62.354 18.595 58.737 in (null):V-9999 (17) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) self-bump: 1.38002 Ang N(134) at 60.433 16.705 57.482 in (null):P-9999 (18) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.44413 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:3.22588 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.55936 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.28598 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.49678 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.76908 Ang ND2(72) at 68.3462 10.1732 63.6777 in (null):N-9999 (10) and CG(86) at 68.3706 12.54 62.2406 in (null):E-9999 (12) other bump:2.80931 Ang C(54) at 68.909 9.157 71.214 in (null):V-9999 (7) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.46962 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.46725 Ang N(55) at 70.074 9.406 71.844 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.40872 Ang O(59) at 72.722 11.237 70.5 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 1.79705 Ang C(60) at 71.496 11.096 70.54 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.29324 Ang CG(43) at 71.5639 7.0668 67.1312 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:1.51023 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:2.76981 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) self-bump: 1.33236 Ang CA(62) at 71.232 11.235 68.044 in (null):P-9999 (9) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) neighbor-bump: 2.1425 Ang OD1(37) at 69.0987 3.11856 66.2667 in (null):N-9999 (5) and N(40) at 68.868 4.475 67.909 in (null):D-9999 (6) self-bump: 1.3586 Ang CA(10) at 59.784 0.636 63.963 in (null):N-9999 (2) and CB(11) at 59.1973 -0.571017 63.7515 in (null):N-9999 (2) Number of specific fragments= 2 total=26 Number of alignments=11 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1dguA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPN 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQ Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.75294 Ang C(252) at 68.909 9.157 71.214 in (null):V-9999 (32) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.25848 Ang N(253) at 70.074 9.406 71.844 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.18547 Ang CA(254) at 70.702 10.772 71.863 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.08636 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 1.40631 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.34653 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) neighbor-bump: 2.40844 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 66 :TELRDIVPIDGKKGYDVRDVIAKIVDW 1dguA 45 :VPFEQILSLPELKANPFKERICRVFST Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues self-bump: 2.16069 Ang CB(201) at 71.6148 19.4834 69.8462 in (null):D-9999 (26) and C(206) at 72.895 21.157 69.368 in (null):D-9999 (26) self-bump: 1.26127 Ang CA(200) at 71.481 20.737 69.882 in (null):D-9999 (26) and CB(201) at 71.6148 19.4834 69.8462 in (null):D-9999 (26) other bump:3.08984 Ang CG(112) at 58.8634 28.2165 58.129 in (null):Y-9999 (15) and CZ(142) at 59.4841 27.0698 60.9302 in (null):R-9999 (18) other bump:2.81308 Ang C(86) at 56.639 24.389 57.641 in (null):G-9999 (11) and CE1(115) at 56.787 27.1905 57.434 in (null):Y-9999 (15) other bump:1.92683 Ang O(85) at 57.036 25.429 58.174 in (null):G-9999 (11) and CE1(115) at 56.787 27.1905 57.434 in (null):Y-9999 (15) other bump:2.18332 Ang O(85) at 57.036 25.429 58.174 in (null):G-9999 (11) and CD1(113) at 58.1757 27.1767 57.5309 in (null):Y-9999 (15) other bump:2.42147 Ang O(35) at 63.042 15.01 57.654 in (null):R-9999 (4) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.18753 Ang C(36) at 64.045 14.873 58.352 in (null):R-9999 (4) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.08226 Ang CA(38) at 62.701 14.314 60.37 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) self-bump: 1.38002 Ang N(60) at 60.433 16.705 57.482 in (null):P-9999 (8) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.42951 Ang O(43) at 60.704 15.634 60.835 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.45636 Ang C(44) at 61.934 15.622 60.798 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.95769 Ang N(45) at 62.652 16.717 61.1 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.66681 Ang C(52) at 61.544 18.633 59.809 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) neighbor-bump: 2.56935 Ang N(53) at 62.354 18.595 58.737 in (null):V-9999 (7) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.30845 Ang CA(46) at 62.08 18.102 61.19 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.44413 Ang O(35) at 63.042 15.01 57.654 in (null):R-9999 (4) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:3.22588 Ang C(36) at 64.045 14.873 58.352 in (null):R-9999 (4) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.55936 Ang CA(38) at 62.701 14.314 60.37 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.28598 Ang O(43) at 60.704 15.634 60.835 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.49678 Ang C(44) at 61.934 15.622 60.798 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) Number of specific fragments= 2 total=28 Number of alignments=12 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1kk1A read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1kk1A to template set 1kk1A:# found chain 1kk1A in template set T0136 26 :FVAEDDDAAELIAKKLLSFLPQNNTEEAS 1kk1A 147 :IELVDKEKALENYRQIKEFIEGTVAENAP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.97928 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and OG1(193) at -2.3419 -12.3766 3.34491 in (null):T-9999 (25) other bump:3.07327 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and CB(191) at -1.51532 -12.8877 4.39957 in (null):T-9999 (25) other bump:2.17168 Ang O(155) at -1.379 -12.428 -0.796 in (null):L-9999 (20) and OD1(178) at -1.13384 -11.5397 1.17046 in (null):N-9999 (23) other bump:2.82899 Ang CA(150) at -3.691 -12.617 -0.218 in (null):L-9999 (20) and ND2(177) at -2.8717 -10.1631 0.926721 in (null):N-9999 (23) other bump:3.24701 Ang C(156) at -2.52 -12.667 -1.191 in (null):L-9999 (20) and CG(176) at -1.56903 -10.3436 0.868307 in (null):N-9999 (23) neighbor-bump: 2.25808 Ang O(162) at -1.521 -10.662 -3.616 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) neighbor-bump: 2.54194 Ang C(163) at -0.929 -11.732 -3.5 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) other bump:2.53116 Ang CD(29) at -20.1368 -19.3815 3.00043 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.24961 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.22288 Ang OE2(31) at -19.6446 -18.3728 3.5714 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.71888 Ang CZ(10) at -15.7768 -25.2721 3.94456 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.66785 Ang CE1(8) at -15.6157 -23.9107 4.17426 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.89652 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CB(60) at -21.015 -21.047 -0.41 in (null):A-9999 (8) T0136 71 :IVPIDGKKGYDVRDVIAKIVD 1kk1A 176 :IIPISALHGANIDVLVKAIED Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.76222 Ang CD1(70) at -15.174 -28.2024 11.5939 in (null):Y-9999 (10) and OD2(83) at -12.8573 -28.7987 10.213 in (null):D-9999 (11) other bump:2.30648 Ang OD2(37) at -19.4442 -24.4415 14.3067 in (null):D-9999 (5) and CG(56) at -20.6089 -24.7488 16.2736 in (null):K-9999 (8) other bump:2.6441 Ang OD2(37) at -19.4442 -24.4415 14.3067 in (null):D-9999 (5) and CB(55) at -19.3756 -25.5656 16.6989 in (null):K-9999 (8) Number of specific fragments= 2 total=30 Number of alignments=13 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1kk1A read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 26 :FVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 147 :IELVDKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:3.02786 Ang CG2(17) at -19.5879 -25.7893 11.2145 in (null):V-9999 (2) and ND2(262) at -19.6825 -24.1417 13.7531 in (null):N-9999 (34) neighbor-bump: 2.27247 Ang CA(244) at -11.707 -23.75 7.777 in (null):N-9999 (32) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) neighbor-bump: 1.7699 Ang C(250) at -12.04 -24.209 9.197 in (null):N-9999 (32) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) other bump:2.07571 Ang O(241) at -9.821 -22.021 8.903 in (null):V-9999 (31) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) other bump:2.73702 Ang C(242) at -9.413 -22.941 8.189 in (null):V-9999 (31) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) neighbor-bump: 2.70235 Ang C(250) at -12.04 -24.209 9.197 in (null):N-9999 (32) and CG(254) at -11.0029 -22.5561 11.0665 in (null):P-9999 (33) other bump:2.52262 Ang O(241) at -9.821 -22.021 8.903 in (null):V-9999 (31) and CG(254) at -11.0029 -22.5561 11.0665 in (null):P-9999 (33) other bump:2.99442 Ang CG(152) at -4.71898 -13.9478 1.86571 in (null):L-9999 (20) and CZ(233) at -5.42561 -16.7697 2.57592 in (null):F-9999 (30) other bump:1.57071 Ang CD1(153) at -4.84483 -15.3119 2.5074 in (null):L-9999 (20) and CZ(233) at -5.42561 -16.7697 2.57592 in (null):F-9999 (30) other bump:2.37063 Ang CD1(153) at -4.84483 -15.3119 2.5074 in (null):L-9999 (20) and CE2(232) at -6.4581 -16.7533 3.47675 in (null):F-9999 (30) other bump:2.68349 Ang CD1(153) at -4.84483 -15.3119 2.5074 in (null):L-9999 (20) and CE1(231) at -4.87769 -17.9701 2.1413 in (null):F-9999 (30) other bump:1.97928 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and OG1(193) at -2.3419 -12.3766 3.34491 in (null):T-9999 (25) other bump:3.07327 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and CB(191) at -1.51532 -12.8877 4.39957 in (null):T-9999 (25) other bump:2.17168 Ang O(155) at -1.379 -12.428 -0.796 in (null):L-9999 (20) and OD1(178) at -1.13384 -11.5397 1.17046 in (null):N-9999 (23) other bump:2.82899 Ang CA(150) at -3.691 -12.617 -0.218 in (null):L-9999 (20) and ND2(177) at -2.8717 -10.1631 0.926721 in (null):N-9999 (23) other bump:3.24701 Ang C(156) at -2.52 -12.667 -1.191 in (null):L-9999 (20) and CG(176) at -1.56903 -10.3436 0.868307 in (null):N-9999 (23) neighbor-bump: 2.25808 Ang O(162) at -1.521 -10.662 -3.616 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) neighbor-bump: 2.54194 Ang C(163) at -0.929 -11.732 -3.5 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) other bump:2.53116 Ang CD(29) at -20.1368 -19.3815 3.00043 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.24961 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.22288 Ang OE2(31) at -19.6446 -18.3728 3.5714 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.71888 Ang CZ(10) at -15.7768 -25.2721 3.94456 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.66785 Ang CE1(8) at -15.6157 -23.9107 4.17426 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.89652 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CB(60) at -21.015 -21.047 -0.41 in (null):A-9999 (8) T0136 63 :SPNTELRDIVPID 1kk1A 189 :VLVKAIEDFIPTP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=32 Number of alignments=14 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 11 :LGGAEAHMAISGNI 1llp 21 :LDDIQANMFHGGQC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 101 :HGVTPGDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.80136 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and C(291) at 66.309 94.731 -3.081 in (null):D-9999 (37) other bump:2.11931 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and O(290) at 65.344 94.057 -2.707 in (null):D-9999 (37) neighbor-bump: 2.24832 Ang OD1(281) at 64.6489 92.9606 -6.23664 in (null):N-9999 (36) and N(284) at 66.474 93.14 -4.936 in (null):D-9999 (37) other bump:2.6175 Ang OD1(48) at 63.7712 85.8307 -0.202123 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.99406 Ang CB(46) at 63.4919 84.3949 1.66036 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.94923 Ang CG(47) at 63.5804 85.7406 0.976536 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) neighbor-bump: 1.62716 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.68575 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.1103 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) neighbor-bump: 2.74205 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) other bump:2.64084 Ang CB(80) at 63.5007 78.0281 8.78926 in (null):E-9999 (11) and OE2(221) at 62.1439 76.0862 7.62213 in (null):E-9999 (28) other bump:2.25288 Ang CD2(131) at 55.164 82.304 17.76 in (null):L-9999 (17) and OE1(179) at 53.9205 80.6475 18.6462 in (null):Q-9999 (23) other bump:2.47755 Ang O(157) at 54.842 78.03 22.57 in (null):F-9999 (20) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) other bump:2.37053 Ang O(132) at 56.505 78.443 19.579 in (null):L-9999 (17) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) neighbor-bump: 1.56228 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.89609 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.66417 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 0.68551 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) self-bump: 1.31466 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 2.9273 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.70562 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.79245 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) self-bump: 2.178 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.97582 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.32124 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.46997 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) self-bump: 2.21478 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) self-bump: 1.26679 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGYATN 1llp 151 :VDQIIARVNDAGEFDELELVWMLS Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 6 total=38 Number of alignments=15 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 13 :GAEAHMAI 1llp 35 :GAEAHESI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 25 :HFVAEDD 1llp 83 :PNIGLDE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.67837 Ang C(29) at 65.638 98.492 15.409 in (null):V-9999 (3) and CB(32) at 66.0107 96.8718 17.5089 in (null):A-9999 (4) T0136 34 :AELIAKKLLSF 1llp 90 :VVAMQKPFVQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0136 48 :NNTEEASFVNPNNDVS 1llp 121 :PGAPQMNFFTGRKPAT Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 1.31047 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.21525 Ang CB(74) at 61.7138 75.2494 1.0582 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 1.51925 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 0.318183 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.39687 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) self-bump: 1.29461 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.49996 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 0.362772 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.23543 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 2.91473 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) self-bump: 2.1303 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.58339 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) neighbor-bump: 2.08834 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) T0136 65 :NTELRDIVPIDGK 1llp 137 :QPAPDGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.15408 Ang CD(21) at 59.9217 96.6015 2.47637 in (null):E-9999 (3) and CG2(57) at 56.9975 97.6309 3.05748 in (null):I-9999 (7) other bump:2.05728 Ang OE2(23) at 58.6734 96.6309 2.40659 in (null):E-9999 (3) and CG2(57) at 56.9975 97.6309 3.05748 in (null):I-9999 (7) T0136 81 :DVRDVIAK 1llp 150 :TVDQIIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 8 total=46 Number of alignments=16 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1iba read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1iba to template set 1iba:# found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=47 Number of alignments=17 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1iba read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=48 Number of alignments=18 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :VT 1qpaA 0 :VA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 4 :EDV 1qpaA 6 :VHT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 7 :TADE 1qpaA 10 :SNAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 13 :GAEAHMAISGNIH 1qpaA 35 :GAEAHEALRMVFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0136 49 :NTEEASFVNP 1qpaA 119 :NCPGAPQMQF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 1.71725 Ang C(71) at 18.415 34.57 72.235 in (null):N-9999 (9) and CD(76) at 18.0528 33.1127 71.4018 in (null):P-9999 (10) neighbor-bump: 2.44178 Ang CA(65) at 19.531 35.056 71.37 in (null):N-9999 (9) and CD(76) at 18.0528 33.1127 71.4018 in (null):P-9999 (10) neighbor-bump: 2.54037 Ang O(70) at 17.447 35.272 72.442 in (null):N-9999 (9) and CG(75) at 16.5794 33.0096 71.679 in (null):P-9999 (10) neighbor-bump: 2.47255 Ang C(71) at 18.415 34.57 72.235 in (null):N-9999 (9) and CG(75) at 16.5794 33.0096 71.679 in (null):P-9999 (10) T0136 59 :NNDVSPNTELRDIVPIDGK 1qpaA 131 :GRPEATQAAPDGLVPEPFH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.95578 Ang CD1(124) at 4.53387 56.607 86.5362 in (null):I-9999 (16) and NZ(145) at 5.32458 58.1329 87.4697 in (null):K-9999 (19) other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) T0136 104 :T 1qpaA 173 :L Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 8 total=56 Number of alignments=19 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :V 1qpaA 0 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0136 2 :TGEDVTADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFLPQ 1qpaA 6 :VHTASNAACCAWFPVLDDIQQNLFHGGQCGAEAHEALRMVFHDSIA Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues neighbor-bump: 2.62648 Ang N(315) at 10.854 41.711 82.971 in (null):L-9999 (44) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) other bump:1.90698 Ang O(296) at 10.244 44.801 81.663 in (null):L-9999 (41) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) other bump:3.03616 Ang C(297) at 9.577 44.644 80.577 in (null):L-9999 (41) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) self-bump: 1.34314 Ang N(323) at 12.228 44.146 83.897 in (null):P-9999 (45) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) neighbor-bump: 2.73619 Ang CB(317) at 12.9842 41.849 81.8502 in (null):L-9999 (44) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) neighbor-bump: 2.1271 Ang C(322) at 12.7 42.955 84.116 in (null):L-9999 (44) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) other bump:2.05513 Ang O(296) at 10.244 44.801 81.663 in (null):L-9999 (41) and CG(326) at 12.0452 45.5949 82.2539 in (null):P-9999 (45) other bump:3.13175 Ang C(297) at 9.577 44.644 80.577 in (null):L-9999 (41) and CG(326) at 12.0452 45.5949 82.2539 in (null):P-9999 (45) self-bump: 2.19832 Ang N(323) at 12.228 44.146 83.897 in (null):P-9999 (45) and CG(326) at 12.0452 45.5949 82.2539 in (null):P-9999 (45) other bump:2.2181 Ang CE1(164) at 5.00987 36.5761 68.1998 in (null):H-9999 (24) and CD1(256) at 4.89561 37.1906 70.328 in (null):I-9999 (36) other bump:2.11211 Ang C(215) at 2.065 42.967 65.177 in (null):D-9999 (30) and OE1(239) at 3.22348 44.1198 66.5149 in (null):E-9999 (34) other bump:1.32189 Ang O(214) at 3.082 42.935 65.946 in (null):D-9999 (30) and OE1(239) at 3.22348 44.1198 66.5149 in (null):E-9999 (34) other bump:3.0394 Ang C(215) at 2.065 42.967 65.177 in (null):D-9999 (30) and CD(238) at 4.16917 44.887 66.2372 in (null):E-9999 (34) other bump:2.25323 Ang O(214) at 3.082 42.935 65.946 in (null):D-9999 (30) and CD(238) at 4.16917 44.887 66.2372 in (null):E-9999 (34) neighbor-bump: 2.40081 Ang C(185) at 3.84 34.09 59.788 in (null):V-9999 (26) and CB(188) at 6.23889 33.9939 59.7884 in (null):A-9999 (27) neighbor-bump: 2.22661 Ang O(184) at 4.346 34.517 58.739 in (null):V-9999 (26) and CB(188) at 6.23889 33.9939 59.7884 in (null):A-9999 (27) neighbor-bump: 2.49525 Ang C(178) at 0.757 34.475 60.865 in (null):F-9999 (25) and CB(181) at 1.36002 33.6178 58.6005 in (null):V-9999 (26) neighbor-bump: 2.25715 Ang O(177) at 0.563 35.252 59.938 in (null):F-9999 (25) and CB(181) at 1.36002 33.6178 58.6005 in (null):V-9999 (26) neighbor-bump: 2.53601 Ang CD2(105) at 10.1508 28.0088 64.3186 in (null):H-9999 (16) and CE(116) at 8.95754 26.3949 62.7685 in (null):M-9999 (17) other bump:1.87753 Ang OG1(41) at 21.3994 22.6876 75.2141 in (null):T-9999 (6) and OE2(63) at 20.6445 24.2302 74.4553 in (null):E-9999 (9) other bump:1.69623 Ang O(42) at 19.664 20.685 73.441 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.30939 Ang C(43) at 20.608 20.164 74.011 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:1.83584 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.5363 Ang CA(38) at 21.986 20.82 74.014 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.21366 Ang OG1(41) at 21.3994 22.6876 75.2141 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.58397 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and CD(61) at 19.8757 23.5634 73.7386 in (null):E-9999 (9) other bump:2.29464 Ang OG1(41) at 21.3994 22.6876 75.2141 in (null):T-9999 (6) and CD(61) at 19.8757 23.5634 73.7386 in (null):E-9999 (9) other bump:2.79299 Ang CG(25) at 19.4398 21.8313 70.9139 in (null):D-9999 (4) and CB(59) at 17.7255 23.4136 72.4496 in (null):E-9999 (9) other bump:2.15818 Ang OD2(27) at 18.6196 22.7371 70.6055 in (null):D-9999 (4) and CB(59) at 17.7255 23.4136 72.4496 in (null):E-9999 (9) other bump:2.24513 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and O(42) at 19.664 20.685 73.441 in (null):T-9999 (6) other bump:2.28221 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and N(37) at 22.291 21.123 72.627 in (null):T-9999 (6) T0136 48 :NNTEEASFVNP 1qpaA 118 :SNCPGAPQMQF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.71725 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.44178 Ang CA(73) at 19.531 35.056 71.37 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.54037 Ang O(78) at 17.447 35.272 72.442 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) neighbor-bump: 2.47255 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) T0136 59 :NNDVSPNTELRDIVPIDGKK 1qpaA 131 :GRPEATQAAPDGLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 5 total=61 Number of alignments=20 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDIVPI 1fchA 297 :DHPQPFEEGLRRLQEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 3.00577 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CG1(122) at 42.4006 38.0045 30.7147 in (null):I-9999 (16) neighbor-bump: 2.15751 Ang O(117) at 39.492 38.203 31.262 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) neighbor-bump: 2.49343 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) T0136 81 :DVRDVIAK 1fchA 313 :DLPNAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=65 Number of alignments=21 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDIVPI 1fchA 297 :DHPQPFEEGLRRLQEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 3.00577 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CG1(122) at 42.4006 38.0045 30.7147 in (null):I-9999 (16) neighbor-bump: 2.15751 Ang O(117) at 39.492 38.203 31.262 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) neighbor-bump: 2.49343 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) T0136 81 :DVRDVIAK 1fchA 313 :DLPNAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=69 Number of alignments=22 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1aisA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFVAE 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLIFS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 30 :DD 1aisA 72 :SV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 32 :DAAELIAKKLLSFLPQNNTEEASFV 1aisA 77 :ERAVAKLAQKLKSIGVKFKRAPQID Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.39185 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:1.86098 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:2.91016 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.68078 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.91182 Ang CD(24) at -52.9715 29.8907 109.523 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.81885 Ang OE1(25) at -52.2128 29.2351 108.77 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.86612 Ang CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) and CE1(183) at -55.9002 31.4901 107.476 in (null):F-9999 (24) other bump:2.58094 Ang CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) other bump:1.86919 Ang NZ(56) at -56.6841 31.64 110.426 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) neighbor-bump: 1.96835 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.58838 Ang CB(103) at -50.0812 27.0424 123.701 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 0.665803 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 1.01056 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.78863 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 1.49039 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 0.822527 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) self-bump: 2.16002 Ang N(109) at -52.274 29.451 125.132 in (null):P-9999 (15) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 2.4794 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) neighbor-bump: 2.07185 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) other bump:1.97745 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.20557 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.26643 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.06042 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80311 Ang CB(61) at -57.5921 25.0175 117.427 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.74777 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.91004 Ang CA(60) at -56.629 26.15 117.806 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80561 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.03508 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.19926 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.60492 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CE1(96) at -57.9663 23.4973 121.832 in (null):F-9999 (13) other bump:2.7107 Ang CA(69) at -53.456 24.481 119.107 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.76807 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:1.71979 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.3641 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.78521 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) T0136 74 :IDGKKGYDVRDVIAK 1aisA 109 :GDIGREFNLDVVALT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.32579 Ang O(20) at -52.532 21.271 73.812 in (null):G-9999 (3) and CG(25) at -54.695 20.4803 73.4874 in (null):K-9999 (4) neighbor-bump: 2.78691 Ang C(21) at -52.173 20.457 74.673 in (null):G-9999 (3) and CG(25) at -54.695 20.4803 73.4874 in (null):K-9999 (4) neighbor-bump: 2.50215 Ang O(0) at -51.386 20.125 85.049 in (null):G-9999 (0) and CG2(6) at -51.6714 21.8777 83.2862 in (null):I-9999 (1) neighbor-bump: 2.87825 Ang C(1) at -50.247 19.834 84.728 in (null):G-9999 (0) and CG2(6) at -51.6714 21.8777 83.2862 in (null):I-9999 (1) T0136 95 :YLEVKAG 1aisA 174 :LLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.51712 Ang CD2(7) at -46.387 26.4327 75.7474 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:2.5582 Ang CE1(8) at -43.8889 27.4224 75.1894 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:1.44616 Ang CE2(9) at -45.3339 25.5678 75.4564 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:1.49417 Ang CZ(10) at -44.0753 26.0505 75.1709 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:1.98941 Ang OH(11) at -42.9909 25.2441 74.8793 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:2.59419 Ang CE2(9) at -45.3339 25.5678 75.4564 in (null):Y-9999 (1) and CE(43) at -45.3206 24.2687 73.211 in (null):K-9999 (5) Number of specific fragments= 6 total=75 Number of alignments=23 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1aisA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1aisA/T0136-1aisA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFVAE 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLIFS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFV 1aisA 75 :DIERAVAKLAQKLKSIGVKFKRAPQID Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.39185 Ang CB(38) at -54.8961 28.4348 108.797 in (null):E-9999 (6) and CZ(201) at -54.8843 30.5794 107.738 in (null):F-9999 (26) other bump:1.86098 Ang CG(39) at -54.4851 29.7693 109.365 in (null):E-9999 (6) and CZ(201) at -54.8843 30.5794 107.738 in (null):F-9999 (26) other bump:2.91016 Ang CB(38) at -54.8961 28.4348 108.797 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.68078 Ang CG(39) at -54.4851 29.7693 109.365 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.91182 Ang CD(40) at -52.9715 29.8907 109.523 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.81885 Ang OE1(41) at -52.2128 29.2351 108.77 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.86612 Ang CB(184) at -55.993 33.238 109.746 in (null):A-9999 (24) and CE1(199) at -55.9002 31.4901 107.476 in (null):F-9999 (26) other bump:2.58094 Ang CE(71) at -55.5718 31.3132 111.413 in (null):K-9999 (10) and CB(184) at -55.993 33.238 109.746 in (null):A-9999 (24) other bump:1.86919 Ang NZ(72) at -56.6841 31.64 110.426 in (null):K-9999 (10) and CB(184) at -55.993 33.238 109.746 in (null):A-9999 (24) neighbor-bump: 1.96835 Ang CA(118) at -51.221 27.306 124.761 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 2.58838 Ang CB(119) at -50.0812 27.0424 123.701 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 1.01056 Ang O(123) at -50.12 29.246 125.669 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 0.665803 Ang C(124) at -51.149 28.76 125.226 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 2.78863 Ang CA(118) at -51.221 27.306 124.761 in (null):L-9999 (16) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) neighbor-bump: 0.822527 Ang O(123) at -50.12 29.246 125.669 in (null):L-9999 (16) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) neighbor-bump: 1.49039 Ang C(124) at -51.149 28.76 125.226 in (null):L-9999 (16) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) self-bump: 2.16002 Ang N(125) at -52.274 29.451 125.132 in (null):P-9999 (17) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) neighbor-bump: 2.07185 Ang O(123) at -50.12 29.246 125.669 in (null):L-9999 (16) and CB(127) at -51.0881 30.8275 126.593 in (null):P-9999 (17) neighbor-bump: 2.4794 Ang C(124) at -51.149 28.76 125.226 in (null):L-9999 (16) and CB(127) at -51.0881 30.8275 126.593 in (null):P-9999 (17) other bump:1.97745 Ang CG(78) at -58.2447 24.3217 118.613 in (null):K-9999 (11) and CZ(114) at -57.8608 23.7156 120.456 in (null):F-9999 (15) other bump:2.26643 Ang CD(79) at -59.1307 25.2668 119.398 in (null):K-9999 (11) and CZ(114) at -57.8608 23.7156 120.456 in (null):F-9999 (15) other bump:2.20557 Ang CE(80) at -59.9177 24.5115 120.436 in (null):K-9999 (11) and CZ(114) at -57.8608 23.7156 120.456 in (null):F-9999 (15) other bump:2.80311 Ang CB(77) at -57.5921 25.0175 117.427 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.06042 Ang CG(78) at -58.2447 24.3217 118.613 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.74777 Ang CD(79) at -59.1307 25.2668 119.398 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.91004 Ang CA(76) at -56.629 26.15 117.806 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.80561 Ang N(84) at -54.558 24.958 118.267 in (null):L-9999 (12) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.03508 Ang O(82) at -55.66 25.931 119.961 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.19926 Ang C(83) at -55.564 25.669 118.772 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.60492 Ang CE(80) at -59.9177 24.5115 120.436 in (null):K-9999 (11) and CE1(112) at -57.9663 23.4973 121.832 in (null):F-9999 (15) other bump:2.76807 Ang N(84) at -54.558 24.958 118.267 in (null):L-9999 (12) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:1.71979 Ang O(82) at -55.66 25.931 119.961 in (null):K-9999 (11) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:2.3641 Ang C(83) at -55.564 25.669 118.772 in (null):K-9999 (11) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:2.7107 Ang CA(85) at -53.456 24.481 119.107 in (null):L-9999 (12) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:2.78521 Ang CG(39) at -54.4851 29.7693 109.365 in (null):E-9999 (6) and CE(71) at -55.5718 31.3132 111.413 in (null):K-9999 (10) T0136 75 :DGKKGYDVRDVIAK 1aisA 110 :DIGREFNLDVVALT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.32579 Ang O(12) at -52.532 21.271 73.812 in (null):G-9999 (2) and CG(17) at -54.695 20.4803 73.4874 in (null):K-9999 (3) neighbor-bump: 2.78691 Ang C(13) at -52.173 20.457 74.673 in (null):G-9999 (2) and CG(17) at -54.695 20.4803 73.4874 in (null):K-9999 (3) T0136 93 :GDYLEVKAG 1aisA 172 :RKLLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51713 Ang CD2(19) at -46.387 26.4327 75.7474 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5582 Ang CE1(20) at -43.8889 27.4224 75.1894 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.44618 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.49417 Ang CZ(22) at -44.0753 26.0505 75.171 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.98941 Ang OH(23) at -42.9909 25.2441 74.8793 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5942 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and CE(55) at -45.3206 24.2687 73.211 in (null):K-9999 (7) Number of specific fragments= 5 total=80 Number of alignments=24 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 2e2c read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDV 2e2c 22 :MTTSKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 7 :TADELGGAEA 2e2c 35 :LQQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 18 :MAISGNIHFVAED 2e2c 45 :SGDPGITAFPDGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAK 2e2c 109 :QSGNICLDILKENWTASYDVRTILLS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50617 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12544 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=86 Number of alignments=25 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 2e2c read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/2e2c/T0136-2e2c-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDV 2e2c 22 :MTTSKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 8 :ADELGGAEA 2e2c 36 :QQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 18 :MAISGNIHFVAEDDD 2e2c 45 :SGDPGITAFPDGDNL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.27285 Ang CG1(73) at 11.1284 35.395 53.0692 in (null):V-9999 (10) and OD1(111) at 9.32196 32.9388 54.2587 in (null):D-9999 (15) other bump:3.02425 Ang CG1(73) at 11.1284 35.395 53.0692 in (null):V-9999 (10) and CA(108) at 12.187 32.606 53.566 in (null):D-9999 (15) other bump:2.67537 Ang CB(72) at 12.2711 36.1795 52.4019 in (null):V-9999 (10) and O(105) at 14.211 34.425 52.964 in (null):D-9999 (14) self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 66 :TELRDIVPIDGKKGYDVRDVIAK 2e2c 112 :NICLDILKENWTASYDVRTILLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.38746 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.50299 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.11887 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.6254 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):G-9999 (24) other bump:2.88786 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):G-9999 (24) other bump:2.95349 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and C(183) at 6.663 46.27 69.93 in (null):K-9999 (23) other bump:2.50617 Ang CD1(50) at 6.216 40.81 70.798 in (null):I-9999 (6) and CD(179) at 4.12544 42.1701 71.044 in (null):K-9999 (23) other bump:2.31764 Ang CB(39) at 7.815 40.386 77.478 in (null):D-9999 (5) and OD2(80) at 6.65897 38.6878 78.5509 in (null):D-9999 (10) other bump:3.16059 Ang C(44) at 8.442 38.811 75.634 in (null):D-9999 (5) and CB(77) at 6.18226 37.0224 76.9316 in (null):D-9999 (10) other bump:2.95269 Ang CD(30) at 8.98398 42.3092 71.623 in (null):R-9999 (4) and CG1(48) at 7.01 40.127 71.868 in (null):I-9999 (6) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=92 Number of alignments=26 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1kk1A read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 19 :AISGNIHFVAEDDDAAELIAKKLLSFLPQ 1kk1A 7 :RQAEVNIGMVGHVDHGKTTLTKALTGVWT Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.2757 Ang O(196) at -12.407 -21.855 28.897 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.47116 Ang CA(199) at -12.634 -19.108 28.623 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.0139 Ang C(205) at -14.07 -19.045 28.11 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.90527 Ang C(197) at -11.751 -21.295 28.017 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.2073 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.31954 Ang N(74) at -9.323 -9.083 11.688 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.60319 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.76371 Ang CA(70) at -7.528 -9.434 13.271 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:3.14986 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and CD(121) at -10.4479 -9.71721 14.979 in (null):E-9999 (17) other bump:3.01357 Ang CD(78) at -11.8393 -12.6077 12.6414 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.76922 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:3.08805 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.94748 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CB(119) at -11.4505 -11.4787 16.5054 in (null):E-9999 (17) other bump:2.85122 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and CA(118) at -12.065 -12.839 16.559 in (null):E-9999 (17) other bump:2.35292 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and N(117) at -13.326 -12.999 15.824 in (null):E-9999 (17) neighbor-bump: 1.62933 Ang O(110) at -15.614 -14.596 12.364 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.20753 Ang C(111) at -15.794 -13.463 12.794 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.45264 Ang O(72) at -8.931 -11.182 12.395 in (null):A-9999 (10) and CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) T0136 52 :EASFVNPNNDV 1kk1A 40 :EELRRGITIKI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.88902 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and N(79) at -4.817 -2.365 24.113 in (null):V-9999 (11) other bump:3.10502 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.49805 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.67515 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:1.93008 Ang ND2(44) at -1.86897 -0.0662479 25.1721 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.94034 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.34923 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.88974 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:2.90579 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and N(63) at -2.987 2.444 24.077 in (null):N-9999 (9) self-bump: 1.27353 Ang CA(56) at -3.186 4.354 25.574 in (null):N-9999 (8) and CB(57) at -2.05516 4.88344 25.3234 in (null):N-9999 (8) other bump:2.2212 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and N(55) at -3.734 3.486 26.617 in (null):N-9999 (8) T0136 63 :SPNTELRDIVPIDGKKGYD 1kk1A 60 :CPNCGRYSTSPVCPYCGHE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.07572 Ang CD1(93) at -6.74432 -34.6578 31.4123 in (null):I-9999 (12) and OD1(146) at -5.22842 -36.0755 31.4417 in (null):D-9999 (19) other bump:2.94344 Ang ND2(19) at -4.324 -43.196 22.701 in (null):N-9999 (3) and CZ(138) at -5.54292 -43.3849 25.3735 in (null):Y-9999 (18) other bump:2.83668 Ang CG(18) at -3.283 -42.558 23.221 in (null):N-9999 (3) and CE2(137) at -5.83032 -42.3834 24.4569 in (null):Y-9999 (18) other bump:2.45204 Ang ND2(19) at -4.324 -43.196 22.701 in (null):N-9999 (3) and CE2(137) at -5.83032 -42.3834 24.4569 in (null):Y-9999 (18) other bump:3.06131 Ang CB(17) at -3.153 -41.089 22.876 in (null):N-9999 (3) and CD2(135) at -5.54847 -41.0612 24.7819 in (null):Y-9999 (18) other bump:1.59336 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and NZ(123) at -6.50765 -41.5984 19.3994 in (null):K-9999 (16) other bump:2.57509 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CE(122) at -7.83372 -41.8031 20.0818 in (null):K-9999 (16) other bump:2.75674 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CD(121) at -8.64439 -40.5097 20.2468 in (null):K-9999 (16) other bump:2.56565 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CG(120) at -7.89316 -39.4684 21.0782 in (null):K-9999 (16) other bump:2.51403 Ang CB(4) at -3.07861 -35.8035 22.5386 in (null):S-9999 (1) and OD2(101) at -5.46964 -35.072 22.2775 in (null):D-9999 (13) T0136 82 :VRDVIAK 1kk1A 97 :MTTMLAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0136 89 :IVDWGDYLEVKAGYAT 1kk1A 383 :CAEPGDRVAISRQIGS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues self-bump: 1.33444 Ang CA(118) at -15.862 15.782 13.873 in (null):A-9999 (15) and CB(119) at -17.0932 15.4368 13.4913 in (null):A-9999 (15) other bump:2.0448 Ang CD(75) at -2.76437 4.53627 15.6061 in (null):E-9999 (9) and NZ(93) at -3.61417 6.03619 16.7058 in (null):K-9999 (11) other bump:1.39243 Ang OE1(76) at -3.03324 4.77545 16.8149 in (null):E-9999 (9) and NZ(93) at -3.61417 6.03619 16.7058 in (null):K-9999 (11) other bump:2.52024 Ang OE1(76) at -3.03324 4.77545 16.8149 in (null):E-9999 (9) and CE(92) at -5.09041 6.23066 16.7701 in (null):K-9999 (11) neighbor-bump: 3.07531 Ang C(9) at 10.775 6.856 23.466 in (null):I-9999 (1) and CG1(13) at 9.00694 6.46099 20.9809 in (null):V-9999 (2) Number of specific fragments= 5 total=97 Number of alignments=27 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1kk1A read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1kk1A/T0136-1kk1A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 7 :TADE 1kk1A 7 :RQAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 16 :A 1kk1A 11 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 20 :ISGNIHFVAEDD 1kk1A 12 :NIGMVGHVDHGK Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.33138 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and OD2(91) at -10.7923 -9.90144 14.7915 in (null):D-9999 (12) other bump:1.8086 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and OD2(91) at -10.7923 -9.90144 14.7915 in (null):D-9999 (12) other bump:2.42642 Ang ND1(41) at -12.5454 -12.1833 12.211 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.98311 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.03628 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:2.0693 Ang CG(39) at -11.4342 -11.3576 12.2036 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.0849 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.42256 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and CG(89) at -11.0868 -11.0945 15.0211 in (null):D-9999 (12) other bump:2.85102 Ang CG(39) at -11.4342 -11.3576 12.2036 in (null):H-9999 (6) and CG(89) at -11.0868 -11.0945 15.0211 in (null):D-9999 (12) other bump:1.52255 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and CG(89) at -11.0868 -11.0945 15.0211 in (null):D-9999 (12) other bump:2.28516 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and CB(88) at -11.4433 -11.4724 16.4441 in (null):D-9999 (12) other bump:2.98092 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and CB(88) at -11.4433 -11.4724 16.4441 in (null):D-9999 (12) other bump:2.5259 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and CA(87) at -12.065 -12.839 16.559 in (null):D-9999 (12) other bump:2.47323 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and N(86) at -13.326 -12.999 15.824 in (null):D-9999 (12) other bump:2.33352 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and N(86) at -13.326 -12.999 15.824 in (null):D-9999 (12) other bump:3.14958 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and C(85) at -14.021 -14.132 15.846 in (null):D-9999 (11) other bump:2.89464 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and N(78) at -15.635 -13.148 14.077 in (null):D-9999 (11) other bump:3.14703 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and C(77) at -15.794 -13.463 12.794 in (null):E-9999 (10) other bump:2.77393 Ang CD1(50) at -16.9691 -7.96831 9.34016 in (null):F-9999 (7) and OE2(75) at -17.6198 -10.4982 8.40704 in (null):E-9999 (10) other bump:3.10865 Ang ND1(41) at -12.5454 -12.1833 12.211 in (null):H-9999 (6) and CB(71) at -15.2759 -12.2041 10.7252 in (null):E-9999 (10) neighbor-bump: 2.45125 Ang CD1(50) at -16.9691 -7.96831 9.34016 in (null):F-9999 (7) and O(62) at -17.709 -8.296 11.654 in (null):V-9999 (8) neighbor-bump: 2.4714 Ang O(34) at -8.931 -11.182 12.395 in (null):I-9999 (5) and CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) neighbor-bump: 2.94501 Ang C(35) at -8.656 -9.981 12.402 in (null):I-9999 (5) and CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) neighbor-bump: 2.51663 Ang O(34) at -8.931 -11.182 12.395 in (null):I-9999 (5) and CG(39) at -11.4342 -11.3576 12.2036 in (null):H-9999 (6) neighbor-bump: 2.64025 Ang CG2(32) at -6.86402 -8.71646 10.7992 in (null):I-9999 (5) and N(36) at -9.323 -9.083 11.688 in (null):H-9999 (6) T0136 35 :ELIAKKLLSFLP 1kk1A 24 :TTLTKALTGVWT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.98906 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and CA(99) at -16.286 -14.15 33.351 in (null):G-9999 (13) other bump:3.02122 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and N(98) at -16.777 -15.494 33.056 in (null):G-9999 (13) other bump:2.59342 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and C(97) at -16.721 -16.028 31.837 in (null):P-9999 (12) other bump:2.96945 Ang CE1(78) at -13.7619 -16.2758 31.8394 in (null):F-9999 (10) and C(97) at -16.721 -16.028 31.837 in (null):P-9999 (12) other bump:1.97255 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and O(96) at -16.25 -15.437 30.863 in (null):P-9999 (12) other bump:2.38014 Ang CE2(79) at -14.1461 -14.8168 29.9388 in (null):F-9999 (10) and O(96) at -16.25 -15.437 30.863 in (null):P-9999 (12) neighbor-bump: 2.79525 Ang CD2(88) at -18.117 -21.983 30.463 in (null):L-9999 (11) and CD(95) at -17.1299 -19.6959 31.7312 in (null):P-9999 (12) self-bump: 2.25501 Ang CA(92) at -17.278 -17.446 31.698 in (null):P-9999 (12) and CD(95) at -17.1299 -19.6959 31.7312 in (null):P-9999 (12) self-bump: 2.14692 Ang CA(92) at -17.278 -17.446 31.698 in (null):P-9999 (12) and CG(94) at -18.3757 -19.1506 32.4042 in (null):P-9999 (12) self-bump: 1.23254 Ang CA(92) at -17.278 -17.446 31.698 in (null):P-9999 (12) and CB(93) at -18.079 -17.696 32.6008 in (null):P-9999 (12) T0136 51 :EEASF 1kk1A 40 :EELRR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.67899 Ang OE1(16) at -11.825 -6.232 27.883 in (null):E-9999 (2) and CZ(39) at -9.47898 -7.01216 26.8512 in (null):F-9999 (5) other bump:2.79473 Ang OE1(16) at -11.825 -6.232 27.883 in (null):E-9999 (2) and CE1(37) at -9.16737 -7.0265 28.224 in (null):F-9999 (5) T0136 57 :NPNNDV 1kk1A 45 :GITIKI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.88901 Ang CB(4) at -3.69986 -1.0295 26.4184 in (null):N-9999 (1) and N(41) at -4.817 -2.365 24.113 in (null):V-9999 (6) other bump:3.10502 Ang CB(4) at -3.69986 -1.0295 26.4184 in (null):N-9999 (1) and C(32) at -4.253 0.605 23.837 in (null):N-9999 (4) other bump:2.49804 Ang CG(5) at -2.94801 0.205418 25.9293 in (null):N-9999 (1) and C(32) at -4.253 0.605 23.837 in (null):N-9999 (4) other bump:2.67514 Ang OD1(7) at -3.31586 1.33861 26.2328 in (null):N-9999 (1) and C(32) at -4.253 0.605 23.837 in (null):N-9999 (4) other bump:1.93008 Ang ND2(6) at -1.86897 -0.0662508 25.1721 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:1.94034 Ang CB(4) at -3.69986 -1.0295 26.4184 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:1.34922 Ang CG(5) at -2.94801 0.205418 25.9293 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:1.88974 Ang OD1(7) at -3.31586 1.33861 26.2328 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:2.90579 Ang CG(5) at -2.94801 0.205418 25.9293 in (null):N-9999 (1) and N(25) at -2.987 2.444 24.077 in (null):N-9999 (4) self-bump: 1.27353 Ang CA(18) at -3.186 4.354 25.574 in (null):N-9999 (3) and CB(19) at -2.05516 4.88344 25.3234 in (null):N-9999 (3) other bump:2.2212 Ang OD1(7) at -3.31586 1.33861 26.2328 in (null):N-9999 (1) and N(17) at -3.734 3.486 26.617 in (null):N-9999 (3) T0136 63 :SPNTELRDIVPIDG 1kk1A 60 :CPNCGRYSTSPVCP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.51403 Ang CB(4) at -3.07861 -35.8035 22.5386 in (null):S-9999 (1) and OD2(101) at -5.46964 -35.072 22.2775 in (null):D-9999 (13) Number of specific fragments= 7 total=104 Number of alignments=28 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1dguA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGEDVTADEL 1dguA 1 :SKELLAEYQDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues self-bump: 1.39419 Ang CA(36) at 68.77 8.621 82.141 in (null):V-9999 (5) and CB(37) at 69.6494 7.54053 82.0858 in (null):V-9999 (5) T0136 27 :VAEDDDAAELIAKKLLSFLPQNN 1dguA 12 :TFLTKQEILLAHRRFCELLPQEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.19259 Ang CD(18) at 57.5393 22.6278 78.0693 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) other bump:1.63648 Ang OE1(19) at 56.8897 21.5512 78.0615 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) other bump:2.23196 Ang OE2(20) at 58.2002 23.0324 77.0767 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) T0136 56 :VNPNNDVSPNTELRDIVPIDGKKGYDVRDVIAK 1dguA 35 :RSVESSLRAQVPFEQILSLPELKANPFKERICR Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.08984 Ang CG(186) at 58.8634 28.2165 58.129 in (null):Y-9999 (25) and CZ(216) at 59.4841 27.0698 60.9302 in (null):R-9999 (28) other bump:1.92683 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.81308 Ang C(160) at 56.639 24.389 57.641 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.18332 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CD1(187) at 58.1757 27.1767 57.5309 in (null):Y-9999 (25) other bump:3.08226 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42951 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.45636 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.95769 Ang N(119) at 62.652 16.717 61.1 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.30845 Ang CA(120) at 62.08 18.102 61.19 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.66681 Ang C(126) at 61.544 18.633 59.809 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) neighbor-bump: 2.56935 Ang N(127) at 62.354 18.595 58.737 in (null):V-9999 (17) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) self-bump: 1.38002 Ang N(134) at 60.433 16.705 57.482 in (null):P-9999 (18) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42147 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.18753 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.55936 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.28598 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.49678 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.44413 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:3.22588 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.76908 Ang ND2(72) at 68.3462 10.1732 63.6777 in (null):N-9999 (10) and CG(86) at 68.3706 12.54 62.2406 in (null):E-9999 (12) other bump:2.80931 Ang C(54) at 68.909 9.157 71.214 in (null):V-9999 (7) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.46725 Ang N(55) at 70.074 9.406 71.844 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.46962 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.40872 Ang O(59) at 72.722 11.237 70.5 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 1.79705 Ang C(60) at 71.496 11.096 70.54 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.29324 Ang CG(43) at 71.5639 7.0668 67.1312 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:1.51023 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:2.76981 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) self-bump: 1.33236 Ang CA(62) at 71.232 11.235 68.044 in (null):P-9999 (9) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) neighbor-bump: 2.1425 Ang OD1(37) at 69.0987 3.11856 66.2667 in (null):N-9999 (5) and N(40) at 68.868 4.475 67.909 in (null):D-9999 (6) self-bump: 1.3586 Ang CA(10) at 59.784 0.636 63.963 in (null):N-9999 (2) and CB(11) at 59.1973 -0.571017 63.7515 in (null):N-9999 (2) T0136 89 :IVDWGDYLEVKAGYA 1dguA 89 :VFSDTATPDIKSHYA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.31075 Ang CD1(7) at 65.0453 29.7986 72.5118 in (null):I-9999 (1) and CD2(110) at 66.914 29.716 71.155 in (null):Y-9999 (14) other bump:2.75676 Ang CD1(7) at 65.0453 29.7986 72.5118 in (null):I-9999 (1) and CG(108) at 66.686 31.004 70.653 in (null):Y-9999 (14) other bump:2.22731 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:1.08102 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:2.20024 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:1.02528 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:2.57822 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.33335 Ang OD2(22) at 58.7508 28.5271 79.9839 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.21278 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.47558 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:2.79232 Ang OD2(22) at 58.7508 28.5271 79.9839 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.99687 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:3.22419 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.69405 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.55515 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) other bump:2.46412 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) Number of specific fragments= 4 total=108 Number of alignments=29 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1dguA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1dguA/T0136-1dguA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGED 1dguA 1 :SKELL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 21 :SGNIHFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1dguA 6 :AEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPF Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.75294 Ang C(278) at 68.909 9.157 71.214 in (null):V-9999 (36) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.25848 Ang N(279) at 70.074 9.406 71.844 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.18547 Ang CA(280) at 70.702 10.772 71.863 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.08636 Ang O(285) at 72.722 11.237 70.5 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 1.40631 Ang C(286) at 71.496 11.096 70.54 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.34653 Ang O(285) at 72.722 11.237 70.5 in (null):N-9999 (37) and CG(290) at 72.3739 9.4738 68.9913 in (null):P-9999 (38) neighbor-bump: 2.40844 Ang C(286) at 71.496 11.096 70.54 in (null):N-9999 (37) and CG(290) at 72.3739 9.4738 68.9913 in (null):P-9999 (38) other bump:2.19618 Ang ND2(221) at 64.4289 4.165 66.4015 in (null):N-9999 (29) and CA(251) at 63.96 3.009 68.209 in (null):A-9999 (33) other bump:3.25816 Ang CG(220) at 64.6377 3.85914 65.1268 in (null):N-9999 (29) and C(249) at 63.572 1.155 66.599 in (null):E-9999 (32) other bump:2.66445 Ang OD1(222) at 64.657 2.70048 64.7192 in (null):N-9999 (29) and C(249) at 63.572 1.155 66.599 in (null):E-9999 (32) other bump:2.30662 Ang CG(220) at 64.6377 3.85914 65.1268 in (null):N-9999 (29) and O(248) at 64.355 1.669 65.793 in (null):E-9999 (32) other bump:1.51926 Ang OD1(222) at 64.657 2.70048 64.7192 in (null):N-9999 (29) and O(248) at 64.355 1.669 65.793 in (null):E-9999 (32) other bump:1.63648 Ang OE1(66) at 56.8897 21.5512 78.0615 in (null):E-9999 (9) and CD1(126) at 57.1435 21.1548 76.4942 in (null):I-9999 (17) other bump:2.19259 Ang CD(65) at 57.5393 22.6278 78.0693 in (null):E-9999 (9) and CD1(126) at 57.1435 21.1548 76.4942 in (null):I-9999 (17) other bump:2.23196 Ang OE2(67) at 58.2002 23.0324 77.0767 in (null):E-9999 (9) and CD1(126) at 57.1435 21.1548 76.4942 in (null):I-9999 (17) other bump:3.02987 Ang C(37) at 65.834 21.39 83.283 in (null):H-9999 (5) and CG2(53) at 63.8275 22.4934 81.299 in (null):V-9999 (7) other bump:3.10192 Ang CB(14) at 66.2872 14.5882 81.8076 in (null):N-9999 (3) and CD2(32) at 65.4991 17.4111 80.7915 in (null):H-9999 (5) T0136 69 :RDIVPIDGKKGYDVRDVIAK 1dguA 48 :EQILSLPELKANPFKERICR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.08984 Ang CG(88) at 58.8634 28.2165 58.129 in (null):Y-9999 (12) and CZ(118) at 59.4841 27.0698 60.9302 in (null):R-9999 (15) other bump:2.81308 Ang C(62) at 56.639 24.389 57.641 in (null):G-9999 (8) and CE1(91) at 56.787 27.1905 57.434 in (null):Y-9999 (12) other bump:1.92683 Ang O(61) at 57.036 25.429 58.174 in (null):G-9999 (8) and CE1(91) at 56.787 27.1905 57.434 in (null):Y-9999 (12) other bump:2.18332 Ang O(61) at 57.036 25.429 58.174 in (null):G-9999 (8) and CD1(89) at 58.1757 27.1767 57.5309 in (null):Y-9999 (12) other bump:3.08226 Ang CA(14) at 62.701 14.314 60.37 in (null):D-9999 (2) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) self-bump: 1.38002 Ang N(36) at 60.433 16.705 57.482 in (null):P-9999 (5) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.42951 Ang O(19) at 60.704 15.634 60.835 in (null):D-9999 (2) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.45636 Ang C(20) at 61.934 15.622 60.798 in (null):D-9999 (2) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.95769 Ang N(21) at 62.652 16.717 61.1 in (null):I-9999 (3) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.66681 Ang C(28) at 61.544 18.633 59.809 in (null):I-9999 (3) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) neighbor-bump: 2.56935 Ang N(29) at 62.354 18.595 58.737 in (null):V-9999 (4) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:3.30845 Ang CA(22) at 62.08 18.102 61.19 in (null):I-9999 (3) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.42147 Ang O(11) at 63.042 15.01 57.654 in (null):R-9999 (1) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:3.18753 Ang C(12) at 64.045 14.873 58.352 in (null):R-9999 (1) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.55936 Ang CA(14) at 62.701 14.314 60.37 in (null):D-9999 (2) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:2.28598 Ang O(19) at 60.704 15.634 60.835 in (null):D-9999 (2) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:2.49678 Ang C(20) at 61.934 15.622 60.798 in (null):D-9999 (2) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:2.44413 Ang O(11) at 63.042 15.01 57.654 in (null):R-9999 (1) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:3.22588 Ang C(12) at 64.045 14.873 58.352 in (null):R-9999 (1) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) Number of specific fragments= 3 total=111 Number of alignments=30 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1iba read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 16 :A 1iba 16 :A Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 35 :ELIAKKLLSFLPQNNTEEASF 1iba 17 :PALVAAFGGKENITNLDACIT Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.21463 Ang OD1(112) at 3.30421 3.46783 -13.8339 in (null):N-9999 (14) and N(115) at 1.281 2.83 -13.198 in (null):N-9999 (15) self-bump: 1.39731 Ang CA(108) at 1.288 5.206 -13.947 in (null):N-9999 (14) and CB(109) at 2.28455 5.33987 -14.9173 in (null):N-9999 (14) other bump:2.54803 Ang O(81) at -1.357 7.44 -7.363 in (null):F-9999 (10) and CG(101) at 0.520336 5.8207 -7.95118 in (null):Q-9999 (13) self-bump: 1.39854 Ang N(91) at -2.438 9.385 -9.306 in (null):P-9999 (12) and CD(95) at -2.41995 10.2023 -8.1713 in (null):P-9999 (12) other bump:2.60596 Ang C(82) at -1.999 8.158 -6.611 in (null):F-9999 (10) and CD(95) at -2.41995 10.2023 -8.1713 in (null):P-9999 (12) neighbor-bump: 2.32557 Ang N(83) at -3.289 8.485 -6.866 in (null):L-9999 (11) and CD(95) at -2.41995 10.2023 -8.1713 in (null):P-9999 (12) other bump:2.16644 Ang C(49) at 1.455 7.421 -0.788 in (null):K-9999 (6) and CZ(80) at 1.86599 9.4379 -1.46375 in (null):F-9999 (10) other bump:2.50456 Ang CA(42) at 1.009 8.12 0.486 in (null):K-9999 (6) and CZ(80) at 1.86599 9.4379 -1.46375 in (null):F-9999 (10) other bump:1.5682 Ang O(48) at 2.354 7.948 -1.428 in (null):K-9999 (6) and CZ(80) at 1.86599 9.4379 -1.46375 in (null):F-9999 (10) other bump:1.34882 Ang C(49) at 1.455 7.421 -0.788 in (null):K-9999 (6) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:2.18483 Ang N(50) at 0.878 6.256 -1.177 in (null):L-9999 (7) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:2.64557 Ang CA(51) at 1.299 5.56 -2.406 in (null):L-9999 (7) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:2.50605 Ang CA(42) at 1.009 8.12 0.486 in (null):K-9999 (6) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:0.768899 Ang O(48) at 2.354 7.948 -1.428 in (null):K-9999 (6) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:3.04386 Ang C(57) at 0.082 4.999 -3.122 in (null):L-9999 (7) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.41704 Ang C(49) at 1.455 7.421 -0.788 in (null):K-9999 (6) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.5498 Ang N(50) at 0.878 6.256 -1.177 in (null):L-9999 (7) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.38325 Ang CA(51) at 1.299 5.56 -2.406 in (null):L-9999 (7) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.07163 Ang O(48) at 2.354 7.948 -1.428 in (null):K-9999 (6) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:1.81868 Ang CA(33) at -2.728 7.34 0.899 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:1.71937 Ang C(40) at -1.413 7.71 0.234 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:2.39705 Ang CB(34) at -3.3716 8.56771 1.57153 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:1.42484 Ang O(39) at -1.386 7.939 -0.965 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:2.63385 Ang CA(33) at -2.728 7.34 0.899 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:3.03186 Ang C(40) at -1.413 7.71 0.234 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:3.07261 Ang CB(34) at -3.3716 8.56771 1.57153 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:2.63615 Ang O(39) at -1.386 7.939 -0.965 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:2.70838 Ang O(25) at 0.023 5.921 2.685 in (null):I-9999 (3) and CB(43) at 1.93796 7.60063 1.76461 in (null):K-9999 (6) T0136 67 :E 1iba 38 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 69 :R 1iba 39 :L Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 71 :IVPIDGKKGYDVRDVIAK 1iba 40 :RVSVADVSKVDQAGLKKL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.64167 Ang CG1(89) at 7.44124 0.324604 -0.3521 in (null):V-9999 (12) and CD1(124) at 7.9009 -1.92164 0.959966 in (null):I-9999 (16) other bump:2.98345 Ang CG1(89) at 7.44124 0.324604 -0.3521 in (null):V-9999 (12) and CG1(122) at 6.41034 -1.94948 1.28092 in (null):I-9999 (16) other bump:2.36859 Ang O(84) at 5.43 4.008 2.605 in (null):D-9999 (11) and CG2(116) at 3.18996 3.56235 1.97745 in (null):V-9999 (15) other bump:2.10244 Ang OH(75) at 3.57416 2.77658 -0.653756 in (null):Y-9999 (10) and CG1(115) at 2.51013 1.53992 0.672428 in (null):V-9999 (15) other bump:2.49474 Ang OH(75) at 3.57416 2.77658 -0.653756 in (null):Y-9999 (10) and CB(114) at 3.45531 2.06892 1.73556 in (null):V-9999 (15) other bump:1.91594 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and CG2(90) at 7.07556 2.48845 -1.55189 in (null):V-9999 (12) other bump:1.66841 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and CG2(90) at 7.07556 2.48845 -1.55189 in (null):V-9999 (12) other bump:2.89122 Ang CZ(74) at 4.51125 3.71127 -1.01505 in (null):Y-9999 (10) and CG2(90) at 7.07556 2.48845 -1.55189 in (null):V-9999 (12) other bump:2.80853 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and CB(88) at 7.61052 1.83067 -0.27111 in (null):V-9999 (12) other bump:2.43568 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and CB(88) at 7.61052 1.83067 -0.27111 in (null):V-9999 (12) other bump:2.91993 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and CA(87) at 6.86 2.369 0.931 in (null):V-9999 (12) other bump:2.31573 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and CA(87) at 6.86 2.369 0.931 in (null):V-9999 (12) other bump:2.4945 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and N(86) at 7.167 3.778 1.192 in (null):V-9999 (12) other bump:2.48221 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and N(86) at 7.167 3.778 1.192 in (null):V-9999 (12) neighbor-bump: 3.19054 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and C(85) at 6.413 4.487 2.068 in (null):D-9999 (11) other bump:2.71808 Ang CG2(28) at 5.47242 6.38758 -9.35856 in (null):I-9999 (4) and N(40) at 7.491 8.081 -8.691 in (null):G-9999 (6) neighbor-bump: 2.67542 Ang CG2(28) at 5.47242 6.38758 -9.35856 in (null):I-9999 (4) and N(32) at 7.752 6.14 -10.737 in (null):D-9999 (5) other bump:2.97545 Ang CG2(6) at 2.6563 -3.51051 -9.37549 in (null):I-9999 (1) and CD(21) at 3.23483 -0.821939 -10.5114 in (null):P-9999 (3) other bump:2.97368 Ang CG2(6) at 2.6563 -3.51051 -9.37549 in (null):I-9999 (1) and CG(20) at 4.44164 -1.64886 -10.8552 in (null):P-9999 (3) T0136 92 :WGDYLEVKAGY 1iba 81 :KTEMDEYIRNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 6 total=117 Number of alignments=31 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1iba read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1iba/T0136-1iba-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=118 Number of alignments=32 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 31 :DDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 107 :DFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.80136 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and C(241) at 66.309 94.731 -3.081 in (null):D-9999 (31) other bump:2.11931 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and O(240) at 65.344 94.057 -2.707 in (null):D-9999 (31) neighbor-bump: 2.24832 Ang OD1(231) at 64.6489 92.9606 -6.23664 in (null):N-9999 (30) and N(234) at 66.474 93.14 -4.936 in (null):D-9999 (31) neighbor-bump: 1.62716 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.68575 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.1103 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) neighbor-bump: 2.74205 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) other bump:2.64084 Ang CB(30) at 63.5007 78.0281 8.78926 in (null):E-9999 (5) and OE2(171) at 62.1439 76.0862 7.62213 in (null):E-9999 (22) other bump:2.25288 Ang CD2(81) at 55.164 82.304 17.76 in (null):L-9999 (11) and OE1(129) at 53.9205 80.6475 18.6462 in (null):Q-9999 (17) other bump:2.47755 Ang O(107) at 54.842 78.03 22.57 in (null):F-9999 (14) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) other bump:2.37053 Ang O(82) at 56.505 78.443 19.579 in (null):L-9999 (11) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) neighbor-bump: 1.56228 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.89609 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.66417 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 0.68551 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) self-bump: 1.31466 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 2.9273 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.70562 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.79245 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) self-bump: 2.178 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.97582 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.32124 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.46997 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) self-bump: 2.21478 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) self-bump: 1.26679 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 3 total=121 Number of alignments=33 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 31 :DDAAELIAK 1llp 107 :DFIAFAGAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 43 :SFLPQNNTEEASFVNPNNDVSP 1llp 116 :ALSNCPGAPQMNFFTGRKPATQ Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.71621 Ang CG1(155) at 65.4402 91.4124 -2.09485 in (null):V-9999 (20) and O(170) at 65.344 94.057 -2.707 in (null):P-9999 (22) neighbor-bump: 1.31047 Ang CA(114) at 60.736 76.48 1.255 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 2.21525 Ang CB(115) at 61.7138 75.2494 1.0582 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 1.51925 Ang O(119) at 59.473 76.651 -0.792 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 0.318183 Ang C(120) at 60.485 76.984 -0.183 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) self-bump: 1.29461 Ang N(121) at 61.443 77.718 -0.711 in (null):P-9999 (16) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 2.39687 Ang N(113) at 59.48 75.946 1.823 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 2.49996 Ang CA(114) at 60.736 76.48 1.255 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 0.362772 Ang O(119) at 59.473 76.651 -0.792 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 1.23543 Ang C(120) at 60.485 76.984 -0.183 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) self-bump: 2.1303 Ang N(121) at 61.443 77.718 -0.711 in (null):P-9999 (16) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 2.91473 Ang N(113) at 59.48 75.946 1.823 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 1.58339 Ang O(119) at 59.473 76.651 -0.792 in (null):N-9999 (15) and CB(123) at 59.695 77.6552 -1.99588 in (null):P-9999 (16) neighbor-bump: 2.08834 Ang C(120) at 60.485 76.984 -0.183 in (null):N-9999 (15) and CB(123) at 59.695 77.6552 -1.99588 in (null):P-9999 (16) other bump:2.40389 Ang O(17) at 56.505 78.443 19.579 in (null):F-9999 (2) and CG2(62) at 54.3589 79.2162 20.3372 in (null):T-9999 (8) neighbor-bump: 2.39883 Ang N(19) at 57.682 77.543 17.941 in (null):L-9999 (3) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) neighbor-bump: 2.11181 Ang C(26) at 58.173 76.077 19.776 in (null):L-9999 (3) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:1.83653 Ang O(0) at 60.793 77.444 17.564 in (null):G-9999 (0) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:3.01356 Ang C(1) at 61.059 78.08 16.48 in (null):G-9999 (0) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) self-bump: 1.31388 Ang N(27) at 59.105 76.923 20.159 in (null):P-9999 (4) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:2.93945 Ang C(7) at 59.83 80.075 18.217 in (null):S-9999 (1) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:2.6284 Ang O(6) at 59.705 79.87 19.433 in (null):S-9999 (1) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:2.10731 Ang O(0) at 60.793 77.444 17.564 in (null):G-9999 (0) and CG(30) at 61.187 77.3297 19.631 in (null):P-9999 (4) other bump:3.24162 Ang C(1) at 61.059 78.08 16.48 in (null):G-9999 (0) and CG(30) at 61.187 77.3297 19.631 in (null):P-9999 (4) self-bump: 2.18609 Ang N(27) at 59.105 76.923 20.159 in (null):P-9999 (4) and CG(30) at 61.187 77.3297 19.631 in (null):P-9999 (4) T0136 66 :TELRDIVPIDGK 1llp 138 :PAPDGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.15408 Ang CD(13) at 59.9217 96.6015 2.47637 in (null):E-9999 (2) and CG2(49) at 56.9975 97.6309 3.05748 in (null):I-9999 (6) other bump:2.05728 Ang OE2(15) at 58.6735 96.6309 2.40659 in (null):E-9999 (2) and CG2(49) at 56.9975 97.6309 3.05748 in (null):I-9999 (6) T0136 81 :DVRDVIAKIVDWGDYLEVKAGY 1llp 150 :TVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.28346 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.686 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.26673 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.87294 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.7707 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.97645 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.43858 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:1.47474 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.74763 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.58842 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.64244 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.16509 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.29898 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.53458 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:1.89003 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.76789 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.9174 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) Number of specific fragments= 4 total=125 Number of alignments=34 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 106 :GDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.80136 Ang OD1(231) at 65.7704 91.9888 -2.88646 in (null):N-9999 (30) and C(249) at 66.309 94.731 -3.081 in (null):D-9999 (32) other bump:2.11931 Ang OD1(231) at 65.7704 91.9888 -2.88646 in (null):N-9999 (30) and O(248) at 65.344 94.057 -2.707 in (null):D-9999 (32) neighbor-bump: 2.24832 Ang OD1(239) at 64.6489 92.9606 -6.23664 in (null):N-9999 (31) and N(242) at 66.474 93.14 -4.936 in (null):D-9999 (32) other bump:2.93753 Ang OD2(7) at 61.4957 85.0362 0.67608 in (null):D-9999 (1) and CG2(208) at 60.3364 82.4055 0.0720224 in (null):V-9999 (27) other bump:3.0132 Ang CB(4) at 63.5578 84.4945 1.62801 in (null):D-9999 (1) and CG1(207) at 61.8235 84.194 -0.817689 in (null):V-9999 (27) other bump:2.69977 Ang CG(5) at 62.1313 84.9812 1.74635 in (null):D-9999 (1) and CG1(207) at 61.8235 84.194 -0.817689 in (null):V-9999 (27) other bump:1.7459 Ang OD2(7) at 61.4957 85.0362 0.67608 in (null):D-9999 (1) and CG1(207) at 61.8235 84.194 -0.817689 in (null):V-9999 (27) other bump:2.57243 Ang OD2(7) at 61.4957 85.0362 0.67608 in (null):D-9999 (1) and CB(206) at 61.7338 82.726 -0.430095 in (null):V-9999 (27) neighbor-bump: 1.62716 Ang O(191) at 59.473 76.651 -0.792 in (null):S-9999 (25) and CD1(197) at 58.9991 75.6046 -1.94447 in (null):F-9999 (26) neighbor-bump: 2.68575 Ang C(192) at 60.485 76.984 -0.183 in (null):S-9999 (25) and CD1(197) at 58.9991 75.6046 -1.94447 in (null):F-9999 (26) neighbor-bump: 2.1103 Ang O(191) at 59.473 76.651 -0.792 in (null):S-9999 (25) and CG(196) at 60.0658 76.0377 -2.72222 in (null):F-9999 (26) neighbor-bump: 2.74205 Ang C(192) at 60.485 76.984 -0.183 in (null):S-9999 (25) and CG(196) at 60.0658 76.0377 -2.72222 in (null):F-9999 (26) other bump:2.64084 Ang CB(38) at 63.5007 78.0281 8.78926 in (null):E-9999 (6) and OE2(179) at 62.1439 76.0862 7.62213 in (null):E-9999 (23) other bump:2.25288 Ang CD2(89) at 55.164 82.304 17.76 in (null):L-9999 (12) and OE1(137) at 53.9205 80.6475 18.6462 in (null):Q-9999 (18) other bump:2.47755 Ang O(115) at 54.842 78.03 22.57 in (null):F-9999 (15) and CG(135) at 54.3925 79.1379 20.4 in (null):Q-9999 (18) other bump:2.37053 Ang O(90) at 56.505 78.443 19.579 in (null):L-9999 (12) and CG(135) at 54.3925 79.1379 20.4 in (null):Q-9999 (18) neighbor-bump: 1.56228 Ang CA(118) at 54.333 77.027 25.092 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 1.89609 Ang CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 1.66417 Ang O(123) at 52.956 78.967 24.715 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 0.68551 Ang C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) self-bump: 1.31466 Ang N(125) at 52.151 76.936 24.071 in (null):P-9999 (17) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 2.9273 Ang CA(118) at 54.333 77.027 25.092 in (null):L-9999 (16) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) neighbor-bump: 1.70562 Ang O(123) at 52.956 78.967 24.715 in (null):L-9999 (16) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) neighbor-bump: 1.79245 Ang C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) self-bump: 2.178 Ang N(125) at 52.151 76.936 24.071 in (null):P-9999 (17) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) neighbor-bump: 1.97582 Ang O(123) at 52.956 78.967 24.715 in (null):L-9999 (16) and CB(127) at 50.9941 78.7919 24.5591 in (null):P-9999 (17) neighbor-bump: 2.32124 Ang C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) and CB(127) at 50.9941 78.7919 24.5591 in (null):P-9999 (17) neighbor-bump: 2.46997 Ang CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) and N(125) at 52.151 76.936 24.071 in (null):P-9999 (17) self-bump: 2.21478 Ang CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) and C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) self-bump: 1.26679 Ang CA(118) at 54.333 77.027 25.092 in (null):L-9999 (16) and CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) T0136 70 :DIVPIDG 1llp 142 :GLVPEPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0136 80 :YDVRDVIAKIVDWGDYLEVKAGY 1llp 149 :HTVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.28346 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.686 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.26673 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.87294 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.97645 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.7707 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.58842 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.43858 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:1.47474 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.74763 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.64244 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.16509 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.29898 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.9174 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.53458 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:1.89003 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.76789 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) Number of specific fragments= 3 total=128 Number of alignments=35 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 31 :DDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 107 :DFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.80136 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and C(241) at 66.309 94.731 -3.081 in (null):D-9999 (31) other bump:2.11931 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and O(240) at 65.344 94.057 -2.707 in (null):D-9999 (31) neighbor-bump: 2.24832 Ang OD1(231) at 64.6489 92.9606 -6.23664 in (null):N-9999 (30) and N(234) at 66.474 93.14 -4.936 in (null):D-9999 (31) neighbor-bump: 1.62716 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.68575 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.1103 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) neighbor-bump: 2.74205 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) other bump:2.64084 Ang CB(30) at 63.5007 78.0281 8.78926 in (null):E-9999 (5) and OE2(171) at 62.1439 76.0862 7.62213 in (null):E-9999 (22) other bump:2.25288 Ang CD2(81) at 55.164 82.304 17.76 in (null):L-9999 (11) and OE1(129) at 53.9205 80.6475 18.6462 in (null):Q-9999 (17) other bump:2.47755 Ang O(107) at 54.842 78.03 22.57 in (null):F-9999 (14) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) other bump:2.37053 Ang O(82) at 56.505 78.443 19.579 in (null):L-9999 (11) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) neighbor-bump: 1.56228 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.89609 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.66417 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 0.68551 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) self-bump: 1.31466 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 2.9273 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.70562 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.79245 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) self-bump: 2.178 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.97582 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.32124 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.46997 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) self-bump: 2.21478 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) self-bump: 1.26679 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 3 total=131 Number of alignments=36 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/1fchA-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/1fchA-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 13 :GAEAHMAISGNIHFVAEDDDAAELIAKKLLS 1fchA 365 :NQTALMALAVSFTNESLQRQACEILRDWLRY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.12388 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.91505 Ang SD(39) at 56.804 53.788 23.252 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.14705 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.88175 Ang CA(36) at 54.017 55.455 23.349 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.30303 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.79432 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.6152 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CD(201) at 57.0944 57.0904 24.8075 in (null):K-9999 (28) other bump:2.03159 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CD2(172) at 51.7521 59.6184 18.1961 in (null):L-9999 (24) other bump:2.99758 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CG(170) at 52.7109 60.7008 18.67 in (null):L-9999 (24) other bump:2.40598 Ang CG2(78) at 52.7358 56.8093 12.8496 in (null):I-9999 (12) and O(122) at 54.493 57.037 11.222 in (null):E-9999 (17) other bump:2.36245 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:2.84345 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:1.95005 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) other bump:2.80762 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) T0136 47 :QNNTEEASFVNPNNDVSPNTELRDIVPID 1fchA 446 :PTSIDPDVQCGLGVLFNLSGEYDKAVDCF Fragment has 56 clashes (null) has 56 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.23939 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and OD1(225) at 60.4741 45.5689 21.9908 in (null):D-9999 (29) other bump:2.78782 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and CG(224) at 60.6872 44.4364 21.4987 in (null):D-9999 (29) other bump:3.02428 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and N(221) at 63.383 44.561 22.803 in (null):D-9999 (29) other bump:2.10773 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and N(221) at 63.383 44.561 22.803 in (null):D-9999 (29) other bump:3.08898 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and C(220) at 64.152 45.436 23.447 in (null):I-9999 (28) other bump:2.25381 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and C(220) at 64.152 45.436 23.447 in (null):I-9999 (28) other bump:2.42584 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CD1(218) at 65.5951 48.5899 19.7466 in (null):I-9999 (28) other bump:2.06601 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.28748 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.15394 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:1.83486 Ang O(72) at 62.899 49.646 22.827 in (null):F-9999 (9) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.63712 Ang C(73) at 62.658 49.877 24.005 in (null):F-9999 (9) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:3.09834 Ang N(96) at 62.872 49.999 20.166 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:3.18262 Ang CA(64) at 63.793 50.079 24.996 in (null):F-9999 (9) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.06559 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CG1(216) at 65.9809 47.7846 20.968 in (null):I-9999 (28) other bump:1.94577 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and CB(215) at 64.7885 47.1501 21.6892 in (null):I-9999 (28) other bump:2.41894 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and CB(215) at 64.7885 47.1501 21.6892 in (null):I-9999 (28) other bump:1.20669 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CB(215) at 64.7885 47.1501 21.6892 in (null):I-9999 (28) other bump:3.01077 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and CA(214) at 65.316 46.036 22.662 in (null):I-9999 (28) other bump:2.45265 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CA(214) at 65.316 46.036 22.662 in (null):I-9999 (28) other bump:1.89701 Ang O(181) at 67.865 42.495 17.366 in (null):R-9999 (23) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:2.99013 Ang C(182) at 67.973 43.006 16.246 in (null):R-9999 (23) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:3.23315 Ang CA(184) at 68.434 45.155 17.258 in (null):D-9999 (24) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:2.84018 Ang C(190) at 67.096 45.362 17.954 in (null):D-9999 (24) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:2.46127 Ang O(181) at 67.865 42.495 17.366 in (null):R-9999 (23) and CG(209) at 68.7273 42.7897 19.6524 in (null):P-9999 (27) other bump:2.9958 Ang CA(121) at 64.33 49.771 14.774 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.23789 Ang O(125) at 63.917 48.385 12.852 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.04529 Ang C(126) at 63.433 48.96 13.832 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.15553 Ang N(127) at 62.136 48.908 14.125 in (null):S-9999 (17) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.59031 Ang CA(128) at 61.187 48.212 13.248 in (null):S-9999 (17) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.59867 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.91181 Ang CB(122) at 64.9363 48.7948 15.9427 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.9851 Ang CA(121) at 64.33 49.771 14.774 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:2.81088 Ang C(126) at 63.433 48.96 13.832 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:3.0906 Ang N(127) at 62.136 48.908 14.125 in (null):S-9999 (17) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:1.78279 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:2.08017 Ang CB(122) at 64.9363 48.7948 15.9427 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:2.92979 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CB(193) at 63.6401 45.6904 16.5751 in (null):I-9999 (25) other bump:3.2313 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CA(192) at 64.678 45.576 17.751 in (null):I-9999 (25) other bump:3.05068 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and C(163) at 66.226 45.793 12.933 in (null):E-9999 (21) other bump:2.08081 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and O(162) at 66.316 46.019 14.149 in (null):E-9999 (21) other bump:1.75699 Ang O(110) at 60.302 51.133 15.281 in (null):N-9999 (14) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.91051 Ang C(111) at 60.536 51.371 16.463 in (null):N-9999 (14) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.83833 Ang C(119) at 63.075 51.845 14.946 in (null):D-9999 (15) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) neighbor-bump: 2.56391 Ang N(127) at 62.136 48.908 14.125 in (null):S-9999 (17) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.6141 Ang O(118) at 63.132 52.025 13.723 in (null):D-9999 (15) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.34228 Ang O(110) at 60.302 51.133 15.281 in (null):N-9999 (14) and CG(136) at 60.0865 52.3229 13.275 in (null):P-9999 (18) other bump:3.1051 Ang C(73) at 62.658 49.877 24.005 in (null):F-9999 (9) and CD(93) at 63.2311 52.654 22.7395 in (null):P-9999 (12) other bump:1.52681 Ang O(61) at 63.54 52.702 24.234 in (null):S-9999 (8) and CD(93) at 63.2311 52.654 22.7395 in (null):P-9999 (12) other bump:2.68936 Ang C(62) at 63.372 52.432 25.416 in (null):S-9999 (8) and CD(93) at 63.2311 52.654 22.7395 in (null):P-9999 (12) other bump:2.01429 Ang O(61) at 63.54 52.702 24.234 in (null):S-9999 (8) and CG(92) at 64.7396 52.7622 22.617 in (null):P-9999 (12) other bump:3.13268 Ang C(62) at 63.372 52.432 25.416 in (null):S-9999 (8) and CG(92) at 64.7396 52.7622 22.617 in (null):P-9999 (12) other bump:2.4279 Ang CG2(30) at 66.3828 47.6301 29.8673 in (null):T-9999 (4) and CZ(71) at 67.6592 48.9078 28.2447 in (null):F-9999 (9) other bump:2.79879 Ang CB(29) at 67.1899 47.6098 31.1559 in (null):T-9999 (4) and CE2(70) at 66.7245 47.8968 28.411 in (null):F-9999 (9) other bump:1.5194 Ang CG2(30) at 66.3828 47.6301 29.8673 in (null):T-9999 (4) and CE2(70) at 66.7245 47.8968 28.411 in (null):F-9999 (9) other bump:2.3941 Ang CG2(30) at 66.3828 47.6301 29.8673 in (null):T-9999 (4) and CD2(68) at 65.5734 47.8779 27.6278 in (null):F-9999 (9) T0136 76 :GKKG 1fchA 489 :NKLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 80 :YDVRDVIAKIVDWGDYLEVKAGYATN 1fchA 568 :STLRLALSMLGQSDAYGAADARDLST Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.66512 Ang CE2(187) at 26.6878 30.9919 8.8164 in (null):Y-9999 (23) and ND2(208) at 27.0927 30.4605 7.29117 in (null):N-9999 (26) other bump:2.97085 Ang CZ(188) at 25.8273 31.519 9.76188 in (null):Y-9999 (23) and ND2(208) at 27.0927 30.4605 7.29117 in (null):N-9999 (26) other bump:1.60769 Ang CD2(185) at 27.4433 31.8495 8.02097 in (null):Y-9999 (23) and ND2(208) at 27.0927 30.4605 7.29117 in (null):N-9999 (26) other bump:2.57044 Ang CE2(187) at 26.6878 30.9919 8.8164 in (null):Y-9999 (23) and CG(207) at 27.6862 29.2819 7.17741 in (null):N-9999 (26) other bump:2.71346 Ang CD2(185) at 27.4433 31.8495 8.02097 in (null):Y-9999 (23) and CG(207) at 27.6862 29.2819 7.17741 in (null):N-9999 (26) other bump:2.8706 Ang OE1(151) at 28.96 28.6438 4.44876 in (null):E-9999 (18) and CB(206) at 29.1953 29.2789 7.23831 in (null):N-9999 (26) other bump:2.81917 Ang CD(150) at 29.9664 29.397 4.52923 in (null):E-9999 (18) and CB(206) at 29.1953 29.2789 7.23831 in (null):N-9999 (26) other bump:3.12478 Ang CE2(187) at 26.6878 30.9919 8.8164 in (null):Y-9999 (23) and N(204) at 29.464 29.817 9.639 in (null):N-9999 (26) other bump:3.36856 Ang NE(34) at 37.183 35.961 -0.371 in (null):R-9999 (4) and NZ(168) at 35.2195 37.0925 -2.86326 in (null):K-9999 (20) other bump:2.51101 Ang CD1(60) at 38.2275 32.5803 4.25552 in (null):I-9999 (7) and CG2(159) at 35.932 33.5881 4.39677 in (null):V-9999 (19) neighbor-bump: 2.06706 Ang O(83) at 44.142 26.027 -0.608 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) neighbor-bump: 2.42672 Ang C(84) at 43.99 27.212 -0.315 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) Number of specific fragments= 4 total=135 Number of alignments=37 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/1fchA-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/1fchA-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 1 :VTGED 1fchA 280 :SATYD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.8314 Ang C(6) at 44.681 62.116 6.891 in (null):V-9999 (0) and OD2(32) at 44.235 63.946 9.005 in (null):D-9999 (4) neighbor-bump: 2.63931 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and OG1(11) at 41.5697 62.4972 4.49301 in (null):T-9999 (1) neighbor-bump: 2.89815 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and CA(8) at 42.251 62.054 6.827 in (null):T-9999 (1) neighbor-bump: 2.43384 Ang CB(2) at 45.5775 62.3956 4.88227 in (null):V-9999 (0) and N(7) at 43.549 62.303 6.224 in (null):T-9999 (1) neighbor-bump: 1.7316 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and N(7) at 43.549 62.303 6.224 in (null):T-9999 (1) self-bump: 2.2174 Ang CB(2) at 45.5775 62.3956 4.88227 in (null):V-9999 (0) and C(6) at 44.681 62.116 6.891 in (null):V-9999 (0) self-bump: 2.32128 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and C(6) at 44.681 62.116 6.891 in (null):V-9999 (0) self-bump: 1.29703 Ang CA(1) at 45.957 62.432 6.122 in (null):V-9999 (0) and CB(2) at 45.5775 62.3956 4.88227 in (null):V-9999 (0) T0136 6 :VTA 1fchA 324 :AVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 9 :DELG 1fchA 336 :QYLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 13 :GAEAHMAISGNIHFVAEDDDAAELIAKKLLS 1fchA 365 :NQTALMALAVSFTNESLQRQACEILRDWLRY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.12388 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.91505 Ang SD(39) at 56.804 53.788 23.252 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.14705 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.88175 Ang CA(36) at 54.017 55.455 23.349 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.30303 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.79432 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.6152 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CD(201) at 57.0944 57.0904 24.8075 in (null):K-9999 (28) other bump:2.03159 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CD2(172) at 51.7521 59.6184 18.1961 in (null):L-9999 (24) other bump:2.99758 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CG(170) at 52.7109 60.7008 18.67 in (null):L-9999 (24) other bump:2.40598 Ang CG2(78) at 52.7358 56.8093 12.8496 in (null):I-9999 (12) and O(122) at 54.493 57.037 11.222 in (null):E-9999 (17) other bump:2.36245 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:2.84345 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:1.95005 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) other bump:2.80762 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) T0136 45 :LPQNNTEEASFVNPNNDVSPNTELRDIVPID 1fchA 444 :LDPTSIDPDVQCGLGVLFNLSGEYDKAVDCF Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.23939 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and OD1(240) at 60.4741 45.5689 21.9908 in (null):D-9999 (31) other bump:2.78782 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and CG(239) at 60.6872 44.4364 21.4987 in (null):D-9999 (31) other bump:3.02428 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and N(236) at 63.383 44.561 22.803 in (null):D-9999 (31) other bump:2.10773 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and N(236) at 63.383 44.561 22.803 in (null):D-9999 (31) other bump:3.08898 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and C(235) at 64.152 45.436 23.447 in (null):I-9999 (30) other bump:2.25381 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and C(235) at 64.152 45.436 23.447 in (null):I-9999 (30) other bump:2.42584 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CD1(233) at 65.5951 48.5899 19.7466 in (null):I-9999 (30) other bump:2.06601 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.28748 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.15394 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:1.83486 Ang O(87) at 62.899 49.646 22.827 in (null):F-9999 (11) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.63712 Ang C(88) at 62.658 49.877 24.005 in (null):F-9999 (11) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:3.09834 Ang N(111) at 62.872 49.999 20.166 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:3.18262 Ang CA(79) at 63.793 50.079 24.996 in (null):F-9999 (11) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.06559 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CG1(231) at 65.9809 47.7846 20.968 in (null):I-9999 (30) other bump:1.94577 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and CB(230) at 64.7885 47.1501 21.6892 in (null):I-9999 (30) other bump:2.41894 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and CB(230) at 64.7885 47.1501 21.6892 in (null):I-9999 (30) other bump:1.20669 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CB(230) at 64.7885 47.1501 21.6892 in (null):I-9999 (30) other bump:3.01077 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and CA(229) at 65.316 46.036 22.662 in (null):I-9999 (30) other bump:2.45265 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CA(229) at 65.316 46.036 22.662 in (null):I-9999 (30) other bump:1.89701 Ang O(196) at 67.865 42.495 17.366 in (null):R-9999 (25) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:2.99013 Ang C(197) at 67.973 43.006 16.246 in (null):R-9999 (25) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:3.23315 Ang CA(199) at 68.434 45.155 17.258 in (null):D-9999 (26) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:2.84018 Ang C(205) at 67.096 45.362 17.954 in (null):D-9999 (26) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:2.46127 Ang O(196) at 67.865 42.495 17.366 in (null):R-9999 (25) and CG(224) at 68.7273 42.7897 19.6524 in (null):P-9999 (29) other bump:2.9958 Ang CA(136) at 64.33 49.771 14.774 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.23789 Ang O(140) at 63.917 48.385 12.852 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.04529 Ang C(141) at 63.433 48.96 13.832 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.15553 Ang N(142) at 62.136 48.908 14.125 in (null):S-9999 (19) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.59031 Ang CA(143) at 61.187 48.212 13.248 in (null):S-9999 (19) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.91181 Ang CB(137) at 64.9363 48.7948 15.9427 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.59867 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.9851 Ang CA(136) at 64.33 49.771 14.774 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:2.81088 Ang C(141) at 63.433 48.96 13.832 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:3.0906 Ang N(142) at 62.136 48.908 14.125 in (null):S-9999 (19) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:2.08017 Ang CB(137) at 64.9363 48.7948 15.9427 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:1.78279 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:2.92979 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CB(208) at 63.6401 45.6904 16.5751 in (null):I-9999 (27) other bump:3.2313 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CA(207) at 64.678 45.576 17.751 in (null):I-9999 (27) other bump:3.05068 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and C(178) at 66.226 45.793 12.933 in (null):E-9999 (23) other bump:2.08081 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and O(177) at 66.316 46.019 14.149 in (null):E-9999 (23) other bump:1.75699 Ang O(125) at 60.302 51.133 15.281 in (null):N-9999 (16) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.91051 Ang C(126) at 60.536 51.371 16.463 in (null):N-9999 (16) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.6141 Ang O(133) at 63.132 52.025 13.723 in (null):D-9999 (17) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.83833 Ang C(134) at 63.075 51.845 14.946 in (null):D-9999 (17) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) neighbor-bump: 2.56391 Ang N(142) at 62.136 48.908 14.125 in (null):S-9999 (19) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.34228 Ang O(125) at 60.302 51.133 15.281 in (null):N-9999 (16) and CG(151) at 60.0865 52.3229 13.275 in (null):P-9999 (20) other bump:3.1051 Ang C(88) at 62.658 49.877 24.005 in (null):F-9999 (11) and CD(108) at 63.2311 52.654 22.7395 in (null):P-9999 (14) other bump:1.52681 Ang O(76) at 63.54 52.702 24.234 in (null):S-9999 (10) and CD(108) at 63.2311 52.654 22.7395 in (null):P-9999 (14) other bump:2.68936 Ang C(77) at 63.372 52.432 25.416 in (null):S-9999 (10) and CD(108) at 63.2311 52.654 22.7395 in (null):P-9999 (14) other bump:2.01429 Ang O(76) at 63.54 52.702 24.234 in (null):S-9999 (10) and CG(107) at 64.7396 52.7622 22.617 in (null):P-9999 (14) other bump:3.13268 Ang C(77) at 63.372 52.432 25.416 in (null):S-9999 (10) and CG(107) at 64.7396 52.7622 22.617 in (null):P-9999 (14) other bump:2.4279 Ang CG2(45) at 66.3828 47.6301 29.8673 in (null):T-9999 (6) and CZ(86) at 67.6592 48.9078 28.2447 in (null):F-9999 (11) other bump:2.79879 Ang CB(44) at 67.1899 47.6098 31.1559 in (null):T-9999 (6) and CE2(85) at 66.7245 47.8968 28.411 in (null):F-9999 (11) other bump:1.5194 Ang CG2(45) at 66.3828 47.6301 29.8673 in (null):T-9999 (6) and CE2(85) at 66.7245 47.8968 28.411 in (null):F-9999 (11) other bump:2.3941 Ang CG2(45) at 66.3828 47.6301 29.8673 in (null):T-9999 (6) and CD2(83) at 65.5734 47.8779 27.6278 in (null):F-9999 (11) neighbor-bump: 2.51858 Ang CB(4) at 71.09 58.449 30.12 in (null):L-9999 (1) and CD(14) at 70.9839 56.6776 31.9072 in (null):P-9999 (2) neighbor-bump: 2.52617 Ang CD2(7) at 70.734 59.12 32.502 in (null):L-9999 (1) and CD(14) at 70.9839 56.6776 31.9072 in (null):P-9999 (2) neighbor-bump: 2.03042 Ang C(9) at 72.87 57.129 31.306 in (null):L-9999 (1) and CD(14) at 70.9839 56.6776 31.9072 in (null):P-9999 (2) neighbor-bump: 2.44173 Ang CD2(7) at 70.734 59.12 32.502 in (null):L-9999 (1) and CG(13) at 71.2985 56.9044 33.3591 in (null):P-9999 (2) neighbor-bump: 2.59524 Ang C(9) at 72.87 57.129 31.306 in (null):L-9999 (1) and CG(13) at 71.2985 56.9044 33.3591 in (null):P-9999 (2) T0136 76 :GKKG 1fchA 489 :NKLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 80 :YDVRDVIAKIVDWGDYLEVKAGYA 1fchA 568 :STLRLALSMLGQSDAYGAADARDL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.36856 Ang NE(34) at 37.183 35.961 -0.371 in (null):R-9999 (4) and NZ(168) at 35.2195 37.0925 -2.86326 in (null):K-9999 (20) other bump:2.51101 Ang CD1(60) at 38.2275 32.5803 4.25552 in (null):I-9999 (7) and CG2(159) at 35.932 33.5881 4.39677 in (null):V-9999 (19) neighbor-bump: 2.06706 Ang O(83) at 44.142 26.027 -0.608 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) neighbor-bump: 2.42672 Ang C(84) at 43.99 27.212 -0.315 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) Number of specific fragments= 7 total=142 Number of alignments=38 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 38 :AKKLLSFLPQNNTEEASFVNP 1qpaA 108 :FIAFAGAVGVSNCPGAPQMQF Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.11057 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and CD(164) at 18.0528 33.1127 71.4018 in (null):P-9999 (21) neighbor-bump: 2.44178 Ang CA(153) at 19.531 35.056 71.37 in (null):N-9999 (20) and CD(164) at 18.0528 33.1127 71.4018 in (null):P-9999 (21) neighbor-bump: 1.71725 Ang C(159) at 18.415 34.57 72.235 in (null):N-9999 (20) and CD(164) at 18.0528 33.1127 71.4018 in (null):P-9999 (21) other bump:2.70277 Ang CD2(52) at 15.3855 34.4018 69.6937 in (null):F-9999 (7) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) other bump:2.98573 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) neighbor-bump: 2.54037 Ang O(158) at 17.447 35.272 72.442 in (null):N-9999 (20) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) neighbor-bump: 2.47255 Ang C(159) at 18.415 34.57 72.235 in (null):N-9999 (20) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) other bump:2.24345 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and N(152) at 19.052 36.2 70.586 in (null):N-9999 (20) other bump:2.70657 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and N(152) at 19.052 36.2 70.586 in (null):N-9999 (20) other bump:2.77584 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:1.51698 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:2.97033 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:1.71343 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:2.23555 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and O(150) at 18.897 34.961 68.732 in (null):V-9999 (19) other bump:2.54692 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and O(150) at 18.897 34.961 68.732 in (null):V-9999 (19) other bump:1.50444 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and O(150) at 18.897 34.961 68.732 in (null):V-9999 (19) other bump:2.50096 Ang OD1(87) at 15.6289 37.5271 65.6309 in (null):N-9999 (11) and CG2(149) at 16.0869 38.4339 67.9162 in (null):V-9999 (19) other bump:2.76904 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CG2(149) at 16.0869 38.4339 67.9162 in (null):V-9999 (19) other bump:2.70036 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CG2(149) at 16.0869 38.4339 67.9162 in (null):V-9999 (19) other bump:2.71381 Ang CB(49) at 14.011 35.9621 71.1216 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:1.82605 Ang CG(50) at 15.2106 35.644 70.2724 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:0.517932 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:2.90266 Ang CD2(52) at 15.3855 34.4018 69.6937 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:1.54289 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:2.70114 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:2.71685 Ang CG(50) at 15.2106 35.644 70.2724 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:1.62586 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:1.19096 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:3.08669 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:2.18442 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:2.69757 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CA(146) at 18.285 37.322 68.559 in (null):V-9999 (19) other bump:1.53733 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CA(146) at 18.285 37.322 68.559 in (null):V-9999 (19) other bump:2.33573 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and CA(146) at 18.285 37.322 68.559 in (null):V-9999 (19) other bump:2.66219 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and N(145) at 18.663 37.287 67.161 in (null):V-9999 (19) other bump:2.91083 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and N(145) at 18.663 37.287 67.161 in (null):V-9999 (19) other bump:1.2997 Ang O(39) at 8.574 36.635 70.619 in (null):L-9999 (5) and CD(70) at 8.95724 36.7498 69.3824 in (null):P-9999 (9) other bump:2.47977 Ang C(40) at 8.772 36.177 71.788 in (null):L-9999 (5) and CD(70) at 8.95724 36.7498 69.3824 in (null):P-9999 (9) other bump:1.66737 Ang O(39) at 8.574 36.635 70.619 in (null):L-9999 (5) and CG(69) at 7.63821 37.4847 69.5316 in (null):P-9999 (9) other bump:2.84374 Ang C(40) at 8.772 36.177 71.788 in (null):L-9999 (5) and CG(69) at 7.63821 37.4847 69.5316 in (null):P-9999 (9) T0136 59 :NNDVSPNTELRDIVPIDGKK 1qpaA 131 :GRPEATQAAPDGLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 3 total=145 Number of alignments=39 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 32 :DAAELIAK 1qpaA 108 :FIAFAGAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.51169 Ang OD1(6) at 4.89276 32.2379 76.1512 in (null):D-9999 (1) and CD1(33) at 5.16786 33.6345 74.0818 in (null):L-9999 (5) T0136 41 :LLSFLPQNNTEEASFVNPNNDVSP 1qpaA 116 :GVSNCPGAPQMQFFLGRPEATQAA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(157) at 6.75298 35.437 91.7121 in (null):N-9999 (20) and C(174) at 5.789 37.395 93.178 in (null):V-9999 (22) other bump:2.26434 Ang OD1(157) at 6.75298 35.437 91.7121 in (null):N-9999 (20) and O(173) at 6.775 37.563 92.491 in (null):V-9999 (22) other bump:2.26152 Ang OD1(157) at 6.75298 35.437 91.7121 in (null):N-9999 (20) and N(168) at 6.639 35.188 93.957 in (null):V-9999 (22) neighbor-bump: 2.31514 Ang O(120) at 18.299 28.323 80.621 in (null):F-9999 (15) and CG2(126) at 17.6844 26.5604 81.9905 in (null):V-9999 (16) neighbor-bump: 2.78779 Ang C(121) at 17.188 28.768 80.362 in (null):F-9999 (15) and CG2(126) at 17.6844 26.5604 81.9905 in (null):V-9999 (16) other bump:2.69737 Ang C(17) at 12.194 40.123 65.591 in (null):L-9999 (2) and OE1(87) at 14.1129 39.5932 67.4111 in (null):E-9999 (11) other bump:2.79165 Ang CA(11) at 11.551 40.581 66.907 in (null):L-9999 (2) and OE1(87) at 14.1129 39.5932 67.4111 in (null):E-9999 (11) other bump:1.98414 Ang CB(12) at 12.6708 40.847 67.9451 in (null):L-9999 (2) and OE1(87) at 14.1129 39.5932 67.4111 in (null):E-9999 (11) other bump:2.88708 Ang CB(12) at 12.6708 40.847 67.9451 in (null):L-9999 (2) and CD(86) at 14.6871 38.7942 68.1815 in (null):E-9999 (11) other bump:2.45365 Ang CA(19) at 13.186 38.269 64.329 in (null):S-9999 (3) and ND2(63) at 15.0589 39.4956 63.3249 in (null):N-9999 (8) T0136 68 :LRDIVPIDGK 1qpaA 140 :PDGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.95578 Ang CD1(56) at 4.53387 56.607 86.5362 in (null):I-9999 (7) and NZ(77) at 5.32458 58.1329 87.4697 in (null):K-9999 (10) other bump:2.56483 Ang O(8) at 6.256 46.281 91.372 in (null):L-9999 (1) and CD1(34) at 8.81399 46.3385 91.5502 in (null):I-9999 (4) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) Number of specific fragments= 4 total=149 Number of alignments=40 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-local-adpstyle1.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 1 total=150 Number of alignments=41 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-local-adpstyle5.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 46 :PQNNTEEASFVN 1llp 122 :GAPQMNFFTGRK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 1.62716 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.68575 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.1103 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 2.74205 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 0.558966 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 0.786078 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 1.70807 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) self-bump: 2.18003 Ang N(2) at 52.151 76.936 24.071 in (null):P-9999 (1) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 1.37166 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 2.62504 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CB(4) at 50.5786 78.5868 24.6093 in (null):P-9999 (1) T0136 62 :VSPNTELRDIVPIDG 1llp 134 :PATQPAPDGLVPEPF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.15408 Ang CD(41) at 59.9217 96.6015 2.47637 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) other bump:2.05728 Ang OE2(43) at 58.6735 96.6309 2.40659 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) T0136 80 :YDVRDVIAKIVDWGDYLEVKAGY 1llp 149 :HTVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.28346 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.686 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.26673 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.87294 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.97645 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.7707 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.58842 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.43858 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:1.47474 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.74763 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.64244 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.16509 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.29898 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.9174 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.53458 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:1.89003 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.76789 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) Number of specific fragments= 3 total=153 Number of alignments=42 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 42 :LSFLPQNNTEEASFVNPNNDVSPNTELR 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAPDGLV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.71737 Ang OD1(185) at 8.25131 46.4432 93.4009 in (null):N-9999 (24) and CD1(208) at 9.769 46.324 91.15 in (null):L-9999 (27) other bump:2.7764 Ang CB(182) at 6.27333 45.9632 94.7231 in (null):N-9999 (24) and OE2(201) at 6.75522 48.6974 94.7418 in (null):E-9999 (26) other bump:2.53515 Ang CG(183) at 7.73865 46.371 94.5241 in (null):N-9999 (24) and OE2(201) at 6.75522 48.6974 94.7418 in (null):E-9999 (26) neighbor-bump: 2.13271 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and OE2(201) at 6.75522 48.6974 94.7418 in (null):E-9999 (26) neighbor-bump: 2.33866 Ang CA(189) at 4.418 48.432 91.607 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 2.46449 Ang CB(190) at 3.13511 49.2443 92.1108 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.76525 Ang C(194) at 5.503 49.452 91.777 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.7936 Ang OG1(192) at 3.35844 49.7932 93.4196 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.52859 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.24799 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and CD(199) at 6.33197 49.5267 93.9064 in (null):E-9999 (26) neighbor-bump: 2.7059 Ang C(194) at 5.503 49.452 91.777 in (null):T-9999 (25) and CG(198) at 7.40203 50.4886 93.4021 in (null):E-9999 (26) neighbor-bump: 1.78597 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and CG(198) at 7.40203 50.4886 93.4021 in (null):E-9999 (26) neighbor-bump: 2.69389 Ang C(194) at 5.503 49.452 91.777 in (null):T-9999 (25) and CB(197) at 6.77619 51.6579 92.6546 in (null):E-9999 (26) other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 76 :GKKGYDVRDVIAKIVDWGDYLEVKA 1qpaA 145 :PEPFHTIDQVLARMLDAGGFDEIET Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.90382 Ang CG(97) at 13.027 51.8825 87.2022 in (null):K-9999 (13) and CH2(137) at 11.5433 49.9476 85.6251 in (null):W-9999 (17) other bump:2.81001 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CH2(137) at 11.5433 49.9476 85.6251 in (null):W-9999 (17) other bump:2.42855 Ang CG(97) at 13.027 51.8825 87.2022 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:2.3504 Ang CD(98) at 12.8236 51.2125 88.5457 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:1.44956 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:2.79959 Ang NZ(100) at 11.6936 49.3897 89.7456 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:2.259 Ang CD(98) at 12.8236 51.2125 88.5457 in (null):K-9999 (13) and NE1(134) at 13.2839 49.0101 88.7476 in (null):W-9999 (17) other bump:1.75245 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and NE1(134) at 13.2839 49.0101 88.7476 in (null):W-9999 (17) other bump:1.91549 Ang NZ(100) at 11.6936 49.3897 89.7456 in (null):K-9999 (13) and NE1(134) at 13.2839 49.0101 88.7476 in (null):W-9999 (17) other bump:2.662 Ang CG(97) at 13.027 51.8825 87.2022 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:2.25163 Ang CD(98) at 12.8236 51.2125 88.5457 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:1.56826 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:2.56981 Ang NZ(100) at 11.6936 49.3897 89.7456 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:2.97427 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CD2(131) at 13.8545 48.7135 86.5974 in (null):W-9999 (17) other bump:2.8556 Ang CB(8) at 4.99931 56.353 83.9217 in (null):K-9999 (2) and CE1(34) at 6.36136 56.4533 86.4295 in (null):Y-9999 (5) other bump:2.85383 Ang CB(8) at 4.99931 56.353 83.9217 in (null):K-9999 (2) and CD1(32) at 7.20109 57.1641 85.5461 in (null):Y-9999 (5) other bump:2.84526 Ang N(6) at 7.105 55.181 83.508 in (null):K-9999 (2) and CD1(32) at 7.20109 57.1641 85.5461 in (null):Y-9999 (5) Number of specific fragments= 2 total=155 Number of alignments=43 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1qpaA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1qpaA/T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 31 :DDAAELIAKK 1qpaA 107 :DFIAFAGAVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.80641 Ang CD(32) at 10.6176 29.4714 72.491 in (null):E-9999 (5) and NZ(64) at 9.51978 31.0597 70.4543 in (null):K-9999 (9) other bump:2.79432 Ang OD2(15) at 4.82138 32.3028 76.5138 in (null):D-9999 (2) and CD1(41) at 5.16786 33.6345 74.0818 in (null):L-9999 (6) T0136 42 :LSFLPQNNTEEASFVNPNNDVSPN 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 69 :RDIVPIDG 1qpaA 141 :DGLVPEPF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.56483 Ang O(0) at 6.256 46.281 91.372 in (null):G-9999 (0) and CD1(26) at 8.81399 46.3385 91.5502 in (null):I-9999 (3) T0136 80 :YDVRDVIAKIVDWGDYLEVKA 1qpaA 149 :HTIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.90382 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.81001 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.42855 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.3504 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:1.44956 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.79959 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.259 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.75245 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.91549 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:2.662 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.25163 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:1.56826 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.56981 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.97427 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CD2(105) at 13.8545 48.7135 86.5974 in (null):W-9999 (13) Number of specific fragments= 4 total=159 Number of alignments=44 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-vit-adpstyle1.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-vit-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 1 total=160 Number of alignments=45 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-vit-adpstyle5.pw.a2m.gz # 1llp read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1llp/T0136-1llp-vit-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 46 :PQNNTEEASFVN 1llp 122 :GAPQMNFFTGRK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 1.62716 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.68575 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.1103 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 2.74205 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 0.558966 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 0.786078 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 1.70807 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) self-bump: 2.18003 Ang N(2) at 52.151 76.936 24.071 in (null):P-9999 (1) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 1.37166 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 2.62504 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CB(4) at 50.5786 78.5868 24.6093 in (null):P-9999 (1) T0136 62 :VSPNTELRDIVPIDG 1llp 134 :PATQPAPDGLVPEPF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.15408 Ang CD(41) at 59.9217 96.6015 2.47637 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) other bump:2.05728 Ang OE2(43) at 58.6735 96.6309 2.40659 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) T0136 80 :YDVRDVIAKIVDWGDYLEVKAGY 1llp 149 :HTVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.28346 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.686 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.26673 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.87294 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.97645 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.7707 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.58842 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.43858 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:1.47474 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.74763 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.64244 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.16509 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.29898 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.9174 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.53458 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:1.89003 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.76789 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) Number of specific fragments= 3 total=163 Number of alignments=46 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=165 Number of alignments=47 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=167 Number of alignments=48 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=169 Number of alignments=49 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1fchA read from /projects/compbio/experiments/casp5/t0136/t0136-211-315/1fchA/T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=171 Number of alignments=50 # command:# Reading fragments from alignment file # T0136 read from T0136.t2k-2track-undertaker.a2m # command:# Prefix for input files set to 1llp/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1llp-T0136-local-adpstyle1.pw.a2m.gz # 1llp read from 1llp-T0136-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 63 :SPNTELRDIVPIDGKKG 1llp 146 :EPFHTVDQIIARVNDAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.51185 Ang O(56) at 44.85 103.022 7.356 in (null):R-9999 (7) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:2.61315 Ang C(57) at 45.027 103.746 8.332 in (null):R-9999 (7) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:3.27682 Ang CA(59) at 47.395 104.04 7.987 in (null):D-9999 (8) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:2.87489 Ang C(65) at 47.8 102.556 7.992 in (null):D-9999 (8) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:2.16561 Ang O(56) at 44.85 103.022 7.356 in (null):R-9999 (7) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.09972 Ang C(57) at 45.027 103.746 8.332 in (null):R-9999 (7) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.05002 Ang CA(59) at 47.395 104.04 7.987 in (null):D-9999 (8) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.02408 Ang C(65) at 47.8 102.556 7.992 in (null):D-9999 (8) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.02685 Ang CB(25) at 51.2467 104.225 11.9339 in (null):T-9999 (4) and CD1(71) at 50.256 101.565 10.883 in (null):I-9999 (9) other bump:2.4149 Ang OG1(27) at 51.1085 102.986 12.6396 in (null):T-9999 (4) and CD1(71) at 50.256 101.565 10.883 in (null):I-9999 (9) other bump:2.22968 Ang OG(5) at 56.3218 104.661 14.0158 in (null):S-9999 (1) and OD1(20) at 55.2028 106.488 14.6349 in (null):N-9999 (3) T0136 80 :YDVRDVIA 1llp 164 :FDELELVW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=173 Number of alignments=51 # Reading fragments from alignment file # T0136 read from 1llp-T0136-local-adpstyle5.pw.a2m.gz # 1llp read from 1llp-T0136-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set Number of specific fragments= 0 total=173 # Reading fragments from alignment file # T0136 read from 1llp-T0136-vit-adpstyle1.pw.a2m.gz # 1llp read from 1llp-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 63 :SPNTELRDIVPIDGKKG 1llp 146 :EPFHTVDQIIARVNDAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.51185 Ang O(56) at 44.85 103.022 7.356 in (null):R-9999 (7) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:2.61315 Ang C(57) at 45.027 103.746 8.332 in (null):R-9999 (7) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:3.27682 Ang CA(59) at 47.395 104.04 7.987 in (null):D-9999 (8) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:2.87489 Ang C(65) at 47.8 102.556 7.992 in (null):D-9999 (8) and CD(85) at 45.405 101.862 6.56131 in (null):P-9999 (11) other bump:2.16561 Ang O(56) at 44.85 103.022 7.356 in (null):R-9999 (7) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.09972 Ang C(57) at 45.027 103.746 8.332 in (null):R-9999 (7) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.05002 Ang CA(59) at 47.395 104.04 7.987 in (null):D-9999 (8) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.02408 Ang C(65) at 47.8 102.556 7.992 in (null):D-9999 (8) and CG(84) at 46.0303 102.809 5.55287 in (null):P-9999 (11) other bump:3.02685 Ang CB(25) at 51.2467 104.225 11.9339 in (null):T-9999 (4) and CD1(71) at 50.256 101.565 10.883 in (null):I-9999 (9) other bump:2.4149 Ang OG1(27) at 51.1085 102.986 12.6396 in (null):T-9999 (4) and CD1(71) at 50.256 101.565 10.883 in (null):I-9999 (9) other bump:2.22968 Ang OG(5) at 56.3218 104.661 14.0158 in (null):S-9999 (1) and OD1(20) at 55.2028 106.488 14.6349 in (null):N-9999 (3) T0136 80 :YDVRDVIA 1llp 164 :FDELELVW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=175 Number of alignments=52 # Reading fragments from alignment file # T0136 read from 1llp-T0136-vit-adpstyle5.pw.a2m.gz # 1llp read from 1llp-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1llp in training set Number of specific fragments= 0 total=175 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 11 :LGGAEAHMAISGNIH 1llp 21 :LDDIQANMFHGGQCG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0136 32 :DAAELIAKKLLSFLPQNNTEEASFVNP 1llp 36 :AEAHESIRLVFHDSIAISPAMEAKGKF Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.69426 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and CA(211) at 57.749 98.033 -4.171 in (null):G-9999 (28) other bump:2.36889 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and N(210) at 58.412 97.916 -5.468 in (null):G-9999 (28) other bump:2.96296 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and C(209) at 59.304 98.825 -5.802 in (null):P-9999 (27) other bump:2.23707 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and C(209) at 59.304 98.825 -5.802 in (null):P-9999 (27) other bump:2.59521 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and O(208) at 59.641 99.785 -5.092 in (null):P-9999 (27) other bump:2.73807 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and C(202) at 58.586 100.486 -8.096 in (null):N-9999 (26) other bump:2.46923 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and C(202) at 58.586 100.486 -8.096 in (null):N-9999 (26) other bump:2.54574 Ang OE2(163) at 58.5241 101.916 -5.99092 in (null):E-9999 (21) and C(202) at 58.586 100.486 -8.096 in (null):N-9999 (26) other bump:2.5338 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and O(201) at 57.506 99.946 -7.864 in (null):N-9999 (26) other bump:1.88655 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and O(201) at 57.506 99.946 -7.864 in (null):N-9999 (26) other bump:2.84974 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and CB(197) at 58.5394 102.945 -7.6973 in (null):N-9999 (26) other bump:1.99255 Ang OE2(163) at 58.5241 101.916 -5.99092 in (null):E-9999 (21) and CB(197) at 58.5394 102.945 -7.6973 in (null):N-9999 (26) other bump:2.78293 Ang OE2(163) at 58.5241 101.916 -5.99092 in (null):E-9999 (21) and CA(196) at 58.575 101.87 -8.773 in (null):N-9999 (26) neighbor-bump: 2.54225 Ang C(187) at 54.673 103.69 -10.607 in (null):F-9999 (24) and CB(190) at 55.9735 103.61 -12.79 in (null):V-9999 (25) other bump:2.28497 Ang O(155) at 51.65 101.797 -6.58 in (null):E-9999 (20) and CD1(181) at 51.6514 104.066 -6.84871 in (null):F-9999 (24) other bump:2.11652 Ang O(88) at 60.693 93.575 6.59 in (null):S-9999 (12) and NE2(122) at 61.7208 95.3205 5.97651 in (null):Q-9999 (16) neighbor-bump: 2.53535 Ang N(101) at 58.898 90.309 5.48 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) neighbor-bump: 2.45516 Ang CA(102) at 57.738 90.021 4.646 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) neighbor-bump: 2.73153 Ang CB(103) at 56.8814 88.9729 5.58524 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:1.82615 Ang O(82) at 57.518 92.086 7.962 in (null):L-9999 (11) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) self-bump: 1.35521 Ang N(109) at 56.519 92.059 5.095 in (null):P-9999 (15) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:2.906 Ang C(83) at 58.046 91.57 8.982 in (null):L-9999 (11) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:1.83586 Ang O(82) at 57.518 92.086 7.962 in (null):L-9999 (11) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) self-bump: 2.20457 Ang N(109) at 56.519 92.059 5.095 in (null):P-9999 (15) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) other bump:2.91995 Ang C(83) at 58.046 91.57 8.982 in (null):L-9999 (11) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) T0136 59 :NNDVSPNTELRDIVPIDGKKGYDVRDVIAK 1llp 64 :GGGADGSIMIFDTIETAFHPNIGLDEVVAM Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.33263 Ang CB(91) at 71.23 93.878 6.865 in (null):D-9999 (12) and CD1(219) at 71.6031 92.6205 8.7939 in (null):I-9999 (28) other bump:2.60182 Ang CG(92) at 72.72 93.689 6.701 in (null):D-9999 (12) and CD1(219) at 71.6031 92.6205 8.7939 in (null):I-9999 (28) other bump:2.59228 Ang OD2(94) at 73.429 94.079 7.672 in (null):D-9999 (12) and CD1(219) at 71.6031 92.6205 8.7939 in (null):I-9999 (28) other bump:2.7283 Ang CD1(124) at 71.6391 96.4108 9.81734 in (null):I-9999 (16) and CG(191) at 72.9478 96.2564 12.2063 in (null):R-9999 (25) other bump:2.87532 Ang CD1(124) at 71.6391 96.4108 9.81734 in (null):I-9999 (16) and CB(190) at 71.5075 96.3967 12.6896 in (null):R-9999 (25) neighbor-bump: 2.89942 Ang CD1(165) at 65.7531 100.504 17.9234 in (null):Y-9999 (22) and OD1(177) at 67.7122 98.5694 18.8322 in (null):D-9999 (23) neighbor-bump: 2.49473 Ang CE1(167) at 66.6092 100.803 18.9623 in (null):Y-9999 (22) and OD1(177) at 67.7122 98.5694 18.8322 in (null):D-9999 (23) other bump:2.78557 Ang CA(106) at 69.995 99.669 3.732 in (null):V-9999 (14) and OD1(131) at 69.1627 101.04 6.00929 in (null):D-9999 (17) other bump:2.15419 Ang C(111) at 68.745 99.447 4.621 in (null):V-9999 (14) and OD1(131) at 69.1627 101.04 6.00929 in (null):D-9999 (17) other bump:1.27789 Ang O(110) at 68.339 100.433 5.244 in (null):V-9999 (14) and OD1(131) at 69.1627 101.04 6.00929 in (null):D-9999 (17) other bump:2.36739 Ang O(110) at 68.339 100.433 5.244 in (null):V-9999 (14) and CG(130) at 69.3586 102.191 6.45788 in (null):D-9999 (17) neighbor-bump: 2.30647 Ang CA(34) at 62.624 87.304 0.115 in (null):S-9999 (5) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) neighbor-bump: 1.39121 Ang O(37) at 65 87.246 0.001 in (null):S-9999 (5) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) neighbor-bump: 1.12288 Ang C(38) at 64.007 87.383 0.751 in (null):S-9999 (5) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) self-bump: 2.22017 Ang CA(40) at 65.394 87.678 2.692 in (null):P-9999 (6) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) neighbor-bump: 2.51281 Ang C(38) at 64.007 87.383 0.751 in (null):S-9999 (5) and CG(42) at 64.9084 85.5189 2.17461 in (null):P-9999 (6) self-bump: 2.21847 Ang CB(20) at 56.8334 90.1176 0.752579 in (null):D-9999 (3) and C(25) at 58.949 89.553 1.109 in (null):D-9999 (3) self-bump: 1.27291 Ang CA(19) at 57.989 90.468 0.35 in (null):D-9999 (3) and CB(20) at 56.8334 90.1176 0.752579 in (null):D-9999 (3) neighbor-bump: 2.11037 Ang O(0) at 57.599 96.997 -2.113 in (null):G-9999 (0) and CG(5) at 58.3372 95.7573 -0.572908 in (null):N-9999 (1) T0136 89 :IVDWGDYLEVKAGYATN 1llp 304 :FPPGKSHSDIEQACAET Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.11404 Ang CA(40) at 43.998 93.631 38.498 in (null):G-9999 (5) and CD(75) at 43.352 96.4641 37.3783 in (null):E-9999 (9) other bump:2.71693 Ang CG2(6) at 43.138 91.0142 36.7146 in (null):I-9999 (1) and C(42) at 42.637 92.95 38.554 in (null):G-9999 (5) other bump:2.53933 Ang CG2(6) at 43.138 91.0142 36.7146 in (null):I-9999 (1) and O(41) at 42.563 91.823 39.052 in (null):G-9999 (5) other bump:2.81009 Ang CG2(14) at 47.9183 91.591 36.0196 in (null):V-9999 (2) and CZ2(34) at 49.3653 93.9256 36.6132 in (null):W-9999 (4) neighbor-bump: 2.19058 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and NE1(33) at 49.7183 92.2459 38.451 in (null):W-9999 (4) other bump:2.92701 Ang CG2(14) at 47.9183 91.591 36.0196 in (null):V-9999 (2) and CE2(31) at 49.2274 93.4089 37.9034 in (null):W-9999 (4) neighbor-bump: 2.7582 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CE2(31) at 49.2274 93.4089 37.9034 in (null):W-9999 (4) neighbor-bump: 2.4324 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CD2(30) at 48.4682 94.075 38.8984 in (null):W-9999 (4) neighbor-bump: 2.30848 Ang C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) and CD1(29) at 49.2801 92.1758 39.7599 in (null):W-9999 (4) neighbor-bump: 1.16324 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CD1(29) at 49.2801 92.1758 39.7599 in (null):W-9999 (4) neighbor-bump: 2.41436 Ang C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) and CG(28) at 48.5133 93.2568 40.081 in (null):W-9999 (4) neighbor-bump: 1.39908 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CG(28) at 48.5133 93.2568 40.081 in (null):W-9999 (4) neighbor-bump: 2.51806 Ang C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) and CB(27) at 47.8433 93.5345 41.3976 in (null):W-9999 (4) neighbor-bump: 2.19608 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CB(27) at 47.8433 93.5345 41.3976 in (null):W-9999 (4) neighbor-bump: 2.45598 Ang CB(19) at 47.0538 89.2824 41.6302 in (null):D-9999 (3) and N(25) at 46.399 91.634 41.36 in (null):W-9999 (4) self-bump: 2.19886 Ang CB(19) at 47.0538 89.2824 41.6302 in (null):D-9999 (3) and C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) self-bump: 1.27999 Ang CA(18) at 47.502 89.691 40.503 in (null):D-9999 (3) and CB(19) at 47.0538 89.2824 41.6302 in (null):D-9999 (3) Number of specific fragments= 6 total=181 Number of alignments=53 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 11 :LGGAEAHMAISGNIH 1llp 21 :LDDIQANMFHGGQCG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0136 32 :DAAELIAKKLLSFLPQ 1llp 36 :AEAHESIRLVFHDSIA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.45516 Ang CA(102) at 57.738 90.021 4.646 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) neighbor-bump: 2.73153 Ang CB(103) at 56.8814 88.9729 5.58524 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:1.82615 Ang O(82) at 57.518 92.086 7.962 in (null):L-9999 (11) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) self-bump: 1.35521 Ang N(109) at 56.519 92.059 5.095 in (null):P-9999 (15) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:2.906 Ang C(83) at 58.046 91.57 8.982 in (null):L-9999 (11) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) neighbor-bump: 2.53535 Ang N(101) at 58.898 90.309 5.48 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:1.83586 Ang O(82) at 57.518 92.086 7.962 in (null):L-9999 (11) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) self-bump: 2.20457 Ang N(109) at 56.519 92.059 5.095 in (null):P-9999 (15) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) other bump:2.91995 Ang C(83) at 58.046 91.57 8.982 in (null):L-9999 (11) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) T0136 48 :NNTEEASFVNPNNDV 1llp 121 :PGAPQMNFFTGRKPA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.39687 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 1.31047 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.21525 Ang CB(74) at 61.7138 75.2494 1.0582 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 1.51925 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 0.318183 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) self-bump: 1.29461 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.91473 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 2.49996 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 0.362772 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.23543 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) self-bump: 2.1303 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.58339 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) neighbor-bump: 2.08834 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) T0136 64 :PNTELRDIVPIDGK 1llp 136 :TQPAPDGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.15408 Ang CD(28) at 59.9217 96.6015 2.47637 in (null):E-9999 (4) and CG2(64) at 56.9975 97.6309 3.05748 in (null):I-9999 (8) other bump:2.05728 Ang OE2(30) at 58.6735 96.6309 2.40659 in (null):E-9999 (4) and CG2(64) at 56.9975 97.6309 3.05748 in (null):I-9999 (8) T0136 81 :DVRDVIAK 1llp 150 :TVDQIIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=188 Number of alignments=54 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 31 :DDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 107 :DFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.80136 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and C(241) at 66.309 94.731 -3.081 in (null):D-9999 (31) other bump:2.11931 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and O(240) at 65.344 94.057 -2.707 in (null):D-9999 (31) neighbor-bump: 2.24832 Ang OD1(231) at 64.6489 92.9606 -6.23664 in (null):N-9999 (30) and N(234) at 66.474 93.14 -4.936 in (null):D-9999 (31) neighbor-bump: 1.62716 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.68575 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.1103 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) neighbor-bump: 2.74205 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) other bump:2.64084 Ang CB(30) at 63.5007 78.0281 8.78926 in (null):E-9999 (5) and OE2(171) at 62.1439 76.0862 7.62213 in (null):E-9999 (22) other bump:2.25288 Ang CD2(81) at 55.164 82.304 17.76 in (null):L-9999 (11) and OE1(129) at 53.9205 80.6475 18.6462 in (null):Q-9999 (17) other bump:2.47755 Ang O(107) at 54.842 78.03 22.57 in (null):F-9999 (14) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) other bump:2.37053 Ang O(82) at 56.505 78.443 19.579 in (null):L-9999 (11) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) neighbor-bump: 1.56228 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.89609 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.66417 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 0.68551 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) self-bump: 1.31466 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 2.9273 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.70562 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.79245 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) self-bump: 2.178 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.97582 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.32124 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.46997 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) self-bump: 2.21478 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) self-bump: 1.26679 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 3 total=191 Number of alignments=55 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 31 :DDAAELIAK 1llp 107 :DFIAFAGAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 43 :SFLPQNNTEEASFVNPNNDVSP 1llp 116 :ALSNCPGAPQMNFFTGRKPATQ Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.71621 Ang CG1(155) at 65.4402 91.4124 -2.09485 in (null):V-9999 (20) and O(170) at 65.344 94.057 -2.707 in (null):P-9999 (22) neighbor-bump: 1.31047 Ang CA(114) at 60.736 76.48 1.255 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 2.21525 Ang CB(115) at 61.7138 75.2494 1.0582 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 1.51925 Ang O(119) at 59.473 76.651 -0.792 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 0.318183 Ang C(120) at 60.485 76.984 -0.183 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) self-bump: 1.29461 Ang N(121) at 61.443 77.718 -0.711 in (null):P-9999 (16) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 2.39687 Ang N(113) at 59.48 75.946 1.823 in (null):N-9999 (15) and CD(125) at 60.7191 76.9395 0.0278339 in (null):P-9999 (16) neighbor-bump: 2.49996 Ang CA(114) at 60.736 76.48 1.255 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 0.362772 Ang O(119) at 59.473 76.651 -0.792 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 1.23543 Ang C(120) at 60.485 76.984 -0.183 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) self-bump: 2.1303 Ang N(121) at 61.443 77.718 -0.711 in (null):P-9999 (16) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 2.91473 Ang N(113) at 59.48 75.946 1.823 in (null):N-9999 (15) and CG(124) at 59.7139 76.5142 -1.02622 in (null):P-9999 (16) neighbor-bump: 1.58339 Ang O(119) at 59.473 76.651 -0.792 in (null):N-9999 (15) and CB(123) at 59.695 77.6552 -1.99588 in (null):P-9999 (16) neighbor-bump: 2.08834 Ang C(120) at 60.485 76.984 -0.183 in (null):N-9999 (15) and CB(123) at 59.695 77.6552 -1.99588 in (null):P-9999 (16) other bump:2.40389 Ang O(17) at 56.505 78.443 19.579 in (null):F-9999 (2) and CG2(62) at 54.3589 79.2162 20.3372 in (null):T-9999 (8) neighbor-bump: 2.39883 Ang N(19) at 57.682 77.543 17.941 in (null):L-9999 (3) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) neighbor-bump: 2.11181 Ang C(26) at 58.173 76.077 19.776 in (null):L-9999 (3) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:1.83653 Ang O(0) at 60.793 77.444 17.564 in (null):G-9999 (0) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:3.01356 Ang C(1) at 61.059 78.08 16.48 in (null):G-9999 (0) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) self-bump: 1.31388 Ang N(27) at 59.105 76.923 20.159 in (null):P-9999 (4) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:2.93945 Ang C(7) at 59.83 80.075 18.217 in (null):S-9999 (1) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:2.6284 Ang O(6) at 59.705 79.87 19.433 in (null):S-9999 (1) and CD(31) at 59.7741 77.2661 19.0816 in (null):P-9999 (4) other bump:2.10731 Ang O(0) at 60.793 77.444 17.564 in (null):G-9999 (0) and CG(30) at 61.187 77.3297 19.631 in (null):P-9999 (4) other bump:3.24162 Ang C(1) at 61.059 78.08 16.48 in (null):G-9999 (0) and CG(30) at 61.187 77.3297 19.631 in (null):P-9999 (4) self-bump: 2.18609 Ang N(27) at 59.105 76.923 20.159 in (null):P-9999 (4) and CG(30) at 61.187 77.3297 19.631 in (null):P-9999 (4) T0136 66 :TELRDIVPIDGK 1llp 138 :PAPDGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.15408 Ang CD(13) at 59.9217 96.6015 2.47637 in (null):E-9999 (2) and CG2(49) at 56.9975 97.6309 3.05748 in (null):I-9999 (6) other bump:2.05728 Ang OE2(15) at 58.6735 96.6309 2.40659 in (null):E-9999 (2) and CG2(49) at 56.9975 97.6309 3.05748 in (null):I-9999 (6) T0136 81 :DVRDVIAKIVDWGDYLEVKAGY 1llp 150 :TVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.28346 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.686 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.26673 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.87294 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.7707 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.97645 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.43858 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:1.47474 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.74763 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.58842 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.64244 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.16509 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.29898 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.53458 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:1.89003 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.76789 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.9174 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) Number of specific fragments= 4 total=195 Number of alignments=56 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 11 :LGGAEAHMAISGNIH 1llp 21 :LDDIQANMFHGGQCG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0136 32 :DAAELIAKKLLSFLPQNNTEEASFVNP 1llp 36 :AEAHESIRLVFHDSIAISPAMEAKGKF Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.69426 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and CA(211) at 57.749 98.033 -4.171 in (null):G-9999 (28) other bump:2.36889 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and N(210) at 58.412 97.916 -5.468 in (null):G-9999 (28) other bump:2.96296 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and C(209) at 59.304 98.825 -5.802 in (null):P-9999 (27) other bump:2.23707 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and C(209) at 59.304 98.825 -5.802 in (null):P-9999 (27) other bump:2.59521 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and O(208) at 59.641 99.785 -5.092 in (null):P-9999 (27) other bump:2.73807 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and C(202) at 58.586 100.486 -8.096 in (null):N-9999 (26) other bump:2.46923 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and C(202) at 58.586 100.486 -8.096 in (null):N-9999 (26) other bump:2.54574 Ang OE2(163) at 58.5241 101.916 -5.99092 in (null):E-9999 (21) and C(202) at 58.586 100.486 -8.096 in (null):N-9999 (26) other bump:2.5338 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and O(201) at 57.506 99.946 -7.864 in (null):N-9999 (26) other bump:1.88655 Ang OE1(162) at 57.4086 99.9997 -5.98073 in (null):E-9999 (21) and O(201) at 57.506 99.946 -7.864 in (null):N-9999 (26) other bump:2.84974 Ang CD(161) at 57.5483 101.208 -5.66722 in (null):E-9999 (21) and CB(197) at 58.5394 102.945 -7.6973 in (null):N-9999 (26) other bump:1.99255 Ang OE2(163) at 58.5241 101.916 -5.99092 in (null):E-9999 (21) and CB(197) at 58.5394 102.945 -7.6973 in (null):N-9999 (26) other bump:2.78293 Ang OE2(163) at 58.5241 101.916 -5.99092 in (null):E-9999 (21) and CA(196) at 58.575 101.87 -8.773 in (null):N-9999 (26) neighbor-bump: 2.54225 Ang C(187) at 54.673 103.69 -10.607 in (null):F-9999 (24) and CB(190) at 55.9735 103.61 -12.79 in (null):V-9999 (25) other bump:2.28497 Ang O(155) at 51.65 101.797 -6.58 in (null):E-9999 (20) and CD1(181) at 51.6514 104.066 -6.84871 in (null):F-9999 (24) other bump:2.11652 Ang O(88) at 60.693 93.575 6.59 in (null):S-9999 (12) and NE2(122) at 61.7208 95.3205 5.97651 in (null):Q-9999 (16) neighbor-bump: 2.53535 Ang N(101) at 58.898 90.309 5.48 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) neighbor-bump: 2.45516 Ang CA(102) at 57.738 90.021 4.646 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) neighbor-bump: 2.73153 Ang CB(103) at 56.8814 88.9729 5.58524 in (null):L-9999 (14) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:1.82615 Ang O(82) at 57.518 92.086 7.962 in (null):L-9999 (11) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) self-bump: 1.35521 Ang N(109) at 56.519 92.059 5.095 in (null):P-9999 (15) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:2.906 Ang C(83) at 58.046 91.57 8.982 in (null):L-9999 (11) and CD(113) at 56.886 91.6044 6.31779 in (null):P-9999 (15) other bump:1.83586 Ang O(82) at 57.518 92.086 7.962 in (null):L-9999 (11) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) self-bump: 2.20457 Ang N(109) at 56.519 92.059 5.095 in (null):P-9999 (15) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) other bump:2.91995 Ang C(83) at 58.046 91.57 8.982 in (null):L-9999 (11) and CG(112) at 55.8719 92.3262 7.18546 in (null):P-9999 (15) T0136 59 :NNDVSPNTELRDIVPIDGKKGYDVRDVIAK 1llp 64 :GGGADGSIMIFDTIETAFHPNIGLDEVVAM Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.33263 Ang CB(91) at 71.23 93.878 6.865 in (null):D-9999 (12) and CD1(219) at 71.6031 92.6205 8.7939 in (null):I-9999 (28) other bump:2.60182 Ang CG(92) at 72.72 93.689 6.701 in (null):D-9999 (12) and CD1(219) at 71.6031 92.6205 8.7939 in (null):I-9999 (28) other bump:2.59228 Ang OD2(94) at 73.429 94.079 7.672 in (null):D-9999 (12) and CD1(219) at 71.6031 92.6205 8.7939 in (null):I-9999 (28) other bump:2.7283 Ang CD1(124) at 71.6391 96.4108 9.81734 in (null):I-9999 (16) and CG(191) at 72.9478 96.2564 12.2063 in (null):R-9999 (25) other bump:2.87532 Ang CD1(124) at 71.6391 96.4108 9.81734 in (null):I-9999 (16) and CB(190) at 71.5075 96.3967 12.6896 in (null):R-9999 (25) neighbor-bump: 2.89942 Ang CD1(165) at 65.7531 100.504 17.9234 in (null):Y-9999 (22) and OD1(177) at 67.7122 98.5694 18.8322 in (null):D-9999 (23) neighbor-bump: 2.49473 Ang CE1(167) at 66.6092 100.803 18.9623 in (null):Y-9999 (22) and OD1(177) at 67.7122 98.5694 18.8322 in (null):D-9999 (23) other bump:2.78557 Ang CA(106) at 69.995 99.669 3.732 in (null):V-9999 (14) and OD1(131) at 69.1627 101.04 6.00929 in (null):D-9999 (17) other bump:2.15419 Ang C(111) at 68.745 99.447 4.621 in (null):V-9999 (14) and OD1(131) at 69.1627 101.04 6.00929 in (null):D-9999 (17) other bump:1.27789 Ang O(110) at 68.339 100.433 5.244 in (null):V-9999 (14) and OD1(131) at 69.1627 101.04 6.00929 in (null):D-9999 (17) other bump:2.36739 Ang O(110) at 68.339 100.433 5.244 in (null):V-9999 (14) and CG(130) at 69.3586 102.191 6.45788 in (null):D-9999 (17) neighbor-bump: 2.30647 Ang CA(34) at 62.624 87.304 0.115 in (null):S-9999 (5) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) neighbor-bump: 1.39121 Ang O(37) at 65 87.246 0.001 in (null):S-9999 (5) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) neighbor-bump: 1.12288 Ang C(38) at 64.007 87.383 0.751 in (null):S-9999 (5) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) self-bump: 2.22017 Ang CA(40) at 65.394 87.678 2.692 in (null):P-9999 (6) and CD(43) at 64.5515 86.4469 1.04773 in (null):P-9999 (6) neighbor-bump: 2.51281 Ang C(38) at 64.007 87.383 0.751 in (null):S-9999 (5) and CG(42) at 64.9084 85.5189 2.17461 in (null):P-9999 (6) self-bump: 2.21847 Ang CB(20) at 56.8334 90.1176 0.752579 in (null):D-9999 (3) and C(25) at 58.949 89.553 1.109 in (null):D-9999 (3) self-bump: 1.27291 Ang CA(19) at 57.989 90.468 0.35 in (null):D-9999 (3) and CB(20) at 56.8334 90.1176 0.752579 in (null):D-9999 (3) neighbor-bump: 2.11037 Ang O(0) at 57.599 96.997 -2.113 in (null):G-9999 (0) and CG(5) at 58.3372 95.7573 -0.572908 in (null):N-9999 (1) T0136 89 :IVDWGDYLEVKAGYATN 1llp 304 :FPPGKSHSDIEQACAET Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.11404 Ang CA(40) at 43.998 93.631 38.498 in (null):G-9999 (5) and CD(75) at 43.352 96.4641 37.3783 in (null):E-9999 (9) other bump:2.71693 Ang CG2(6) at 43.138 91.0142 36.7146 in (null):I-9999 (1) and C(42) at 42.637 92.95 38.554 in (null):G-9999 (5) other bump:2.53933 Ang CG2(6) at 43.138 91.0142 36.7146 in (null):I-9999 (1) and O(41) at 42.563 91.823 39.052 in (null):G-9999 (5) other bump:2.81009 Ang CG2(14) at 47.9183 91.591 36.0196 in (null):V-9999 (2) and CZ2(34) at 49.3653 93.9256 36.6132 in (null):W-9999 (4) neighbor-bump: 2.19058 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and NE1(33) at 49.7183 92.2459 38.451 in (null):W-9999 (4) other bump:2.92701 Ang CG2(14) at 47.9183 91.591 36.0196 in (null):V-9999 (2) and CE2(31) at 49.2274 93.4089 37.9034 in (null):W-9999 (4) neighbor-bump: 2.7582 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CE2(31) at 49.2274 93.4089 37.9034 in (null):W-9999 (4) neighbor-bump: 2.4324 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CD2(30) at 48.4682 94.075 38.8984 in (null):W-9999 (4) neighbor-bump: 2.30848 Ang C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) and CD1(29) at 49.2801 92.1758 39.7599 in (null):W-9999 (4) neighbor-bump: 1.16324 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CD1(29) at 49.2801 92.1758 39.7599 in (null):W-9999 (4) neighbor-bump: 2.41436 Ang C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) and CG(28) at 48.5133 93.2568 40.081 in (null):W-9999 (4) neighbor-bump: 1.39908 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CG(28) at 48.5133 93.2568 40.081 in (null):W-9999 (4) neighbor-bump: 2.51806 Ang C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) and CB(27) at 47.8433 93.5345 41.3976 in (null):W-9999 (4) neighbor-bump: 2.19608 Ang O(23) at 48.166 91.907 39.959 in (null):D-9999 (3) and CB(27) at 47.8433 93.5345 41.3976 in (null):W-9999 (4) neighbor-bump: 2.45598 Ang CB(19) at 47.0538 89.2824 41.6302 in (null):D-9999 (3) and N(25) at 46.399 91.634 41.36 in (null):W-9999 (4) self-bump: 2.19886 Ang CB(19) at 47.0538 89.2824 41.6302 in (null):D-9999 (3) and C(24) at 47.363 91.197 40.594 in (null):D-9999 (3) self-bump: 1.27999 Ang CA(18) at 47.502 89.691 40.503 in (null):D-9999 (3) and CB(19) at 47.0538 89.2824 41.6302 in (null):D-9999 (3) Number of specific fragments= 6 total=201 Number of alignments=57 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 13 :GAEAHMAIS 1llp 35 :GAEAHESIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 22 :G 1llp 65 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 31 :DDAAELIAKKLLSFLPQ 1llp 87 :LDEVVAMQKPFVQKHGV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.11974 Ang O(115) at 72.926 74.98 3.836 in (null):L-9999 (15) and CD(121) at 74.8533 75.7735 3.44973 in (null):P-9999 (16) neighbor-bump: 1.56311 Ang C(116) at 73.562 75.933 4.316 in (null):L-9999 (15) and CD(121) at 74.8533 75.7735 3.44973 in (null):P-9999 (16) self-bump: 2.20072 Ang CA(118) at 73.67 77.177 2.236 in (null):P-9999 (16) and CD(121) at 74.8533 75.7735 3.44973 in (null):P-9999 (16) T0136 48 :NNTEEASFVNPNNDVSPN 1llp 121 :PGAPQMNFFTGRKPATQP Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.71621 Ang CG1(114) at 65.4402 91.4124 -2.09485 in (null):V-9999 (15) and O(129) at 65.344 94.057 -2.707 in (null):P-9999 (17) neighbor-bump: 1.31047 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.21525 Ang CB(74) at 61.7138 75.2494 1.0582 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 1.51925 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 0.318183 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) self-bump: 1.29461 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.39687 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.49996 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 0.362772 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.23543 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) self-bump: 2.1303 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 2.91473 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.58339 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) neighbor-bump: 2.08834 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) T0136 67 :ELRDIVPIDGK 1llp 139 :APDGLVPEPFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0136 81 :DVRDVIAK 1llp 150 :TVDQIIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 8 total=209 Number of alignments=58 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 31 :DDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 107 :DFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.80136 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and C(241) at 66.309 94.731 -3.081 in (null):D-9999 (31) other bump:2.11931 Ang OD1(223) at 65.7704 91.9888 -2.88646 in (null):N-9999 (29) and O(240) at 65.344 94.057 -2.707 in (null):D-9999 (31) neighbor-bump: 2.24832 Ang OD1(231) at 64.6489 92.9606 -6.23664 in (null):N-9999 (30) and N(234) at 66.474 93.14 -4.936 in (null):D-9999 (31) neighbor-bump: 1.62716 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.68575 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CD1(189) at 58.9991 75.6046 -1.94447 in (null):F-9999 (25) neighbor-bump: 2.1103 Ang O(183) at 59.473 76.651 -0.792 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) neighbor-bump: 2.74205 Ang C(184) at 60.485 76.984 -0.183 in (null):S-9999 (24) and CG(188) at 60.0658 76.0377 -2.72222 in (null):F-9999 (25) other bump:2.64084 Ang CB(30) at 63.5007 78.0281 8.78926 in (null):E-9999 (5) and OE2(171) at 62.1439 76.0862 7.62213 in (null):E-9999 (22) other bump:2.25288 Ang CD2(81) at 55.164 82.304 17.76 in (null):L-9999 (11) and OE1(129) at 53.9205 80.6475 18.6462 in (null):Q-9999 (17) other bump:2.47755 Ang O(107) at 54.842 78.03 22.57 in (null):F-9999 (14) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) other bump:2.37053 Ang O(82) at 56.505 78.443 19.579 in (null):L-9999 (11) and CG(127) at 54.3925 79.1379 20.4 in (null):Q-9999 (17) neighbor-bump: 1.56228 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.89609 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 1.66417 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 0.68551 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) self-bump: 1.31466 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CD(121) at 52.8074 77.3616 25.1276 in (null):P-9999 (16) neighbor-bump: 2.9273 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.70562 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.79245 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) self-bump: 2.178 Ang N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) and CG(120) at 51.7707 78.2875 25.7361 in (null):P-9999 (16) neighbor-bump: 1.97582 Ang O(115) at 52.956 78.967 24.715 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.32124 Ang C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) and CB(119) at 50.9941 78.7919 24.5591 in (null):P-9999 (16) neighbor-bump: 2.46997 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and N(117) at 52.151 76.936 24.071 in (null):P-9999 (16) self-bump: 2.21478 Ang CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) and C(116) at 53.065 77.745 24.621 in (null):L-9999 (15) self-bump: 1.26679 Ang CA(110) at 54.333 77.027 25.092 in (null):L-9999 (15) and CB(111) at 53.9372 75.863 25.3972 in (null):L-9999 (15) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 3 total=212 Number of alignments=59 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 106 :GDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.80136 Ang OD1(231) at 65.7704 91.9888 -2.88646 in (null):N-9999 (30) and C(249) at 66.309 94.731 -3.081 in (null):D-9999 (32) other bump:2.11931 Ang OD1(231) at 65.7704 91.9888 -2.88646 in (null):N-9999 (30) and O(248) at 65.344 94.057 -2.707 in (null):D-9999 (32) neighbor-bump: 2.24832 Ang OD1(239) at 64.6489 92.9606 -6.23664 in (null):N-9999 (31) and N(242) at 66.474 93.14 -4.936 in (null):D-9999 (32) other bump:2.93753 Ang OD2(7) at 61.4957 85.0362 0.67608 in (null):D-9999 (1) and CG2(208) at 60.3364 82.4055 0.0720224 in (null):V-9999 (27) other bump:3.0132 Ang CB(4) at 63.5578 84.4945 1.62801 in (null):D-9999 (1) and CG1(207) at 61.8235 84.194 -0.817689 in (null):V-9999 (27) other bump:2.69977 Ang CG(5) at 62.1313 84.9812 1.74635 in (null):D-9999 (1) and CG1(207) at 61.8235 84.194 -0.817689 in (null):V-9999 (27) other bump:1.7459 Ang OD2(7) at 61.4957 85.0362 0.67608 in (null):D-9999 (1) and CG1(207) at 61.8235 84.194 -0.817689 in (null):V-9999 (27) other bump:2.57243 Ang OD2(7) at 61.4957 85.0362 0.67608 in (null):D-9999 (1) and CB(206) at 61.7338 82.726 -0.430095 in (null):V-9999 (27) neighbor-bump: 1.62716 Ang O(191) at 59.473 76.651 -0.792 in (null):S-9999 (25) and CD1(197) at 58.9991 75.6046 -1.94447 in (null):F-9999 (26) neighbor-bump: 2.68575 Ang C(192) at 60.485 76.984 -0.183 in (null):S-9999 (25) and CD1(197) at 58.9991 75.6046 -1.94447 in (null):F-9999 (26) neighbor-bump: 2.1103 Ang O(191) at 59.473 76.651 -0.792 in (null):S-9999 (25) and CG(196) at 60.0658 76.0377 -2.72222 in (null):F-9999 (26) neighbor-bump: 2.74205 Ang C(192) at 60.485 76.984 -0.183 in (null):S-9999 (25) and CG(196) at 60.0658 76.0377 -2.72222 in (null):F-9999 (26) other bump:2.64084 Ang CB(38) at 63.5007 78.0281 8.78926 in (null):E-9999 (6) and OE2(179) at 62.1439 76.0862 7.62213 in (null):E-9999 (23) other bump:2.25288 Ang CD2(89) at 55.164 82.304 17.76 in (null):L-9999 (12) and OE1(137) at 53.9205 80.6475 18.6462 in (null):Q-9999 (18) other bump:2.47755 Ang O(115) at 54.842 78.03 22.57 in (null):F-9999 (15) and CG(135) at 54.3925 79.1379 20.4 in (null):Q-9999 (18) other bump:2.37053 Ang O(90) at 56.505 78.443 19.579 in (null):L-9999 (12) and CG(135) at 54.3925 79.1379 20.4 in (null):Q-9999 (18) neighbor-bump: 1.56228 Ang CA(118) at 54.333 77.027 25.092 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 1.89609 Ang CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 1.66417 Ang O(123) at 52.956 78.967 24.715 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 0.68551 Ang C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) self-bump: 1.31466 Ang N(125) at 52.151 76.936 24.071 in (null):P-9999 (17) and CD(129) at 52.8074 77.3616 25.1276 in (null):P-9999 (17) neighbor-bump: 2.9273 Ang CA(118) at 54.333 77.027 25.092 in (null):L-9999 (16) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) neighbor-bump: 1.70562 Ang O(123) at 52.956 78.967 24.715 in (null):L-9999 (16) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) neighbor-bump: 1.79245 Ang C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) self-bump: 2.178 Ang N(125) at 52.151 76.936 24.071 in (null):P-9999 (17) and CG(128) at 51.7707 78.2875 25.7361 in (null):P-9999 (17) neighbor-bump: 1.97582 Ang O(123) at 52.956 78.967 24.715 in (null):L-9999 (16) and CB(127) at 50.9941 78.7919 24.5591 in (null):P-9999 (17) neighbor-bump: 2.32124 Ang C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) and CB(127) at 50.9941 78.7919 24.5591 in (null):P-9999 (17) neighbor-bump: 2.46997 Ang CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) and N(125) at 52.151 76.936 24.071 in (null):P-9999 (17) self-bump: 2.21478 Ang CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) and C(124) at 53.065 77.745 24.621 in (null):L-9999 (16) self-bump: 1.26679 Ang CA(118) at 54.333 77.027 25.092 in (null):L-9999 (16) and CB(119) at 53.9372 75.863 25.3972 in (null):L-9999 (16) T0136 70 :DIVPIDG 1llp 142 :GLVPEPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0136 80 :YDVRDVIAKIVDWGDYLEVKAGY 1llp 149 :HTVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.28346 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.686 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.26673 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.87294 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.97645 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.7707 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.58842 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.43858 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:1.47474 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.74763 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.64244 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.16509 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.29898 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.9174 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.53458 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:1.89003 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.76789 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) Number of specific fragments= 3 total=215 Number of alignments=60 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 11 :LGGAEAHMAISGNI 1llp 21 :LDDIQANMFHGGQC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 101 :HGVTPGDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.80136 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and C(291) at 66.309 94.731 -3.081 in (null):D-9999 (37) other bump:2.11931 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and O(290) at 65.344 94.057 -2.707 in (null):D-9999 (37) neighbor-bump: 2.24832 Ang OD1(281) at 64.6489 92.9606 -6.23664 in (null):N-9999 (36) and N(284) at 66.474 93.14 -4.936 in (null):D-9999 (37) other bump:2.6175 Ang OD1(48) at 63.7712 85.8307 -0.202123 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.99406 Ang CB(46) at 63.4919 84.3949 1.66036 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.94923 Ang CG(47) at 63.5804 85.7406 0.976536 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) neighbor-bump: 1.62716 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.68575 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.1103 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) neighbor-bump: 2.74205 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) other bump:2.64084 Ang CB(80) at 63.5007 78.0281 8.78926 in (null):E-9999 (11) and OE2(221) at 62.1439 76.0862 7.62213 in (null):E-9999 (28) other bump:2.25288 Ang CD2(131) at 55.164 82.304 17.76 in (null):L-9999 (17) and OE1(179) at 53.9205 80.6475 18.6462 in (null):Q-9999 (23) other bump:2.47755 Ang O(157) at 54.842 78.03 22.57 in (null):F-9999 (20) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) other bump:2.37053 Ang O(132) at 56.505 78.443 19.579 in (null):L-9999 (17) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) neighbor-bump: 1.56228 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.89609 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.66417 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 0.68551 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) self-bump: 1.31466 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 2.9273 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.70562 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.79245 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) self-bump: 2.178 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.97582 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.32124 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.46997 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) self-bump: 2.21478 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) self-bump: 1.26679 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGYATN 1llp 151 :VDQIIARVNDAGEFDELELVWMLS Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 6 total=221 Number of alignments=61 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 1 :VT 1llp 1 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1llp 6 :GKTVGDAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 13 :GAEAHMAI 1llp 35 :GAEAHESI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 25 :HFVAEDD 1llp 83 :PNIGLDE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.67837 Ang C(29) at 65.638 98.492 15.409 in (null):V-9999 (3) and CB(32) at 66.0107 96.8718 17.5089 in (null):A-9999 (4) T0136 34 :AELIAKKLLSF 1llp 90 :VVAMQKPFVQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0136 48 :NNTEEASFVNPNNDVS 1llp 121 :PGAPQMNFFTGRKPAT Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 1.31047 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.21525 Ang CB(74) at 61.7138 75.2494 1.0582 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 1.51925 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 0.318183 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.39687 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) self-bump: 1.29461 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CD(84) at 60.7191 76.9395 0.0278339 in (null):P-9999 (11) neighbor-bump: 2.49996 Ang CA(73) at 60.736 76.48 1.255 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 0.362772 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.23543 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 2.91473 Ang N(72) at 59.48 75.946 1.823 in (null):N-9999 (10) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) self-bump: 2.1303 Ang N(80) at 61.443 77.718 -0.711 in (null):P-9999 (11) and CG(83) at 59.7139 76.5142 -1.02622 in (null):P-9999 (11) neighbor-bump: 1.58339 Ang O(78) at 59.473 76.651 -0.792 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) neighbor-bump: 2.08834 Ang C(79) at 60.485 76.984 -0.183 in (null):N-9999 (10) and CB(82) at 59.695 77.6552 -1.99588 in (null):P-9999 (11) T0136 65 :NTELRDIVPIDGK 1llp 137 :QPAPDGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.15408 Ang CD(21) at 59.9217 96.6015 2.47637 in (null):E-9999 (3) and CG2(57) at 56.9975 97.6309 3.05748 in (null):I-9999 (7) other bump:2.05728 Ang OE2(23) at 58.6734 96.6309 2.40659 in (null):E-9999 (3) and CG2(57) at 56.9975 97.6309 3.05748 in (null):I-9999 (7) T0136 81 :DVRDVIAK 1llp 150 :TVDQIIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 8 total=229 Number of alignments=62 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1llp 101 :HGVTPGDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAPD Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.80136 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and C(291) at 66.309 94.731 -3.081 in (null):D-9999 (37) other bump:2.11931 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and O(290) at 65.344 94.057 -2.707 in (null):D-9999 (37) neighbor-bump: 2.24832 Ang OD1(281) at 64.6489 92.9606 -6.23664 in (null):N-9999 (36) and N(284) at 66.474 93.14 -4.936 in (null):D-9999 (37) other bump:2.6175 Ang OD1(48) at 63.7712 85.8307 -0.202123 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.99406 Ang CB(46) at 63.4919 84.3949 1.66036 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.94923 Ang CG(47) at 63.5804 85.7406 0.976536 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) neighbor-bump: 1.62716 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.68575 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.1103 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) neighbor-bump: 2.74205 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) other bump:2.64084 Ang CB(80) at 63.5007 78.0281 8.78926 in (null):E-9999 (11) and OE2(221) at 62.1439 76.0862 7.62213 in (null):E-9999 (28) other bump:2.25288 Ang CD2(131) at 55.164 82.304 17.76 in (null):L-9999 (17) and OE1(179) at 53.9205 80.6475 18.6462 in (null):Q-9999 (23) other bump:2.47755 Ang O(157) at 54.842 78.03 22.57 in (null):F-9999 (20) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) other bump:2.37053 Ang O(132) at 56.505 78.443 19.579 in (null):L-9999 (17) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) neighbor-bump: 1.56228 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.89609 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.66417 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 0.68551 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) self-bump: 1.31466 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 2.9273 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.70562 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.79245 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) self-bump: 2.178 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.97582 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.32124 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.46997 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) self-bump: 2.21478 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) self-bump: 1.26679 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) T0136 70 :DIVPIDGKK 1llp 142 :GLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02621 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and NZ(58) at 53.7904 101.531 8.78774 in (null):K-9999 (8) other bump:2.68772 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:2.78366 Ang N(32) at 54.936 101.909 11.977 in (null):I-9999 (5) and CE(57) at 53.9233 102.837 9.55595 in (null):K-9999 (8) other bump:3.23035 Ang CA(26) at 54.398 100.29 10.27 in (null):P-9999 (4) and CD(56) at 52.5938 102.968 10.3494 in (null):K-9999 (8) T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 3 total=232 Number of alignments=63 # Reading fragments from alignment file # T0136 read from T0136-1llp-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSP 1llp 101 :HGVTPGDFIAFAGAVALSNCPGAPQMNFFTGRKPATQPAP Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.80136 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and C(291) at 66.309 94.731 -3.081 in (null):D-9999 (37) other bump:2.11931 Ang OD1(273) at 65.7704 91.9888 -2.88646 in (null):N-9999 (35) and O(290) at 65.344 94.057 -2.707 in (null):D-9999 (37) neighbor-bump: 2.24832 Ang OD1(281) at 64.6489 92.9606 -6.23664 in (null):N-9999 (36) and N(284) at 66.474 93.14 -4.936 in (null):D-9999 (37) other bump:2.6175 Ang OD1(48) at 63.7712 85.8307 -0.202123 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.99406 Ang CB(46) at 63.4919 84.3949 1.66036 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) other bump:2.94923 Ang CG(47) at 63.5804 85.7406 0.976536 in (null):D-9999 (6) and CG1(249) at 61.8235 84.194 -0.817689 in (null):V-9999 (32) neighbor-bump: 1.62716 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.68575 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CD1(239) at 58.9991 75.6046 -1.94447 in (null):F-9999 (31) neighbor-bump: 2.1103 Ang O(233) at 59.473 76.651 -0.792 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) neighbor-bump: 2.74205 Ang C(234) at 60.485 76.984 -0.183 in (null):S-9999 (30) and CG(238) at 60.0658 76.0377 -2.72222 in (null):F-9999 (31) other bump:2.64084 Ang CB(80) at 63.5007 78.0281 8.78926 in (null):E-9999 (11) and OE2(221) at 62.1439 76.0862 7.62213 in (null):E-9999 (28) other bump:2.25288 Ang CD2(131) at 55.164 82.304 17.76 in (null):L-9999 (17) and OE1(179) at 53.9205 80.6475 18.6462 in (null):Q-9999 (23) other bump:2.47755 Ang O(157) at 54.842 78.03 22.57 in (null):F-9999 (20) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) other bump:2.37053 Ang O(132) at 56.505 78.443 19.579 in (null):L-9999 (17) and CG(177) at 54.3925 79.1379 20.4 in (null):Q-9999 (23) neighbor-bump: 1.56228 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.89609 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 1.66417 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 0.68551 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) self-bump: 1.31466 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CD(171) at 52.8074 77.3616 25.1276 in (null):P-9999 (22) neighbor-bump: 2.9273 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.70562 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.79245 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) self-bump: 2.178 Ang N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) and CG(170) at 51.7707 78.2875 25.7361 in (null):P-9999 (22) neighbor-bump: 1.97582 Ang O(165) at 52.956 78.967 24.715 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.32124 Ang C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) and CB(169) at 50.9941 78.7919 24.5591 in (null):P-9999 (22) neighbor-bump: 2.46997 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and N(167) at 52.151 76.936 24.071 in (null):P-9999 (22) self-bump: 2.21478 Ang CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) and C(166) at 53.065 77.745 24.621 in (null):L-9999 (21) self-bump: 1.26679 Ang CA(160) at 54.333 77.027 25.092 in (null):L-9999 (21) and CB(161) at 53.9372 75.863 25.3972 in (null):L-9999 (21) T0136 69 :RDIVPIDGK 1llp 141 :DGLVPEPFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 81 :DVRDVIAKIVDWGDYLEVKAGY 1llp 150 :TVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.28346 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.686 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and NZ(156) at 44.5216 87.5119 4.53181 in (null):K-9999 (19) other bump:2.26673 Ang CD1(118) at 46.382 88.6874 5.14116 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.87294 Ang CE1(120) at 47.1907 87.617 4.81372 in (null):Y-9999 (15) and CE(155) at 44.5845 87.6244 6.0226 in (null):K-9999 (19) other bump:2.7707 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.97645 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.43858 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:1.47474 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.74763 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.58842 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.64244 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.16509 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.29898 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.53458 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:1.89003 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.76789 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.9174 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) Number of specific fragments= 3 total=235 Number of alignments=64 # Reading fragments from alignment file # T0136 read from T0136-1llp-local-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-local-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 1 total=236 Number of alignments=65 # Reading fragments from alignment file # T0136 read from T0136-1llp-local-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-local-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 46 :PQNNTEEASFVN 1llp 122 :GAPQMNFFTGRK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 1.62716 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.68575 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.1103 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 2.74205 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 0.558966 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 0.786078 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 1.70807 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) self-bump: 2.18003 Ang N(2) at 52.151 76.936 24.071 in (null):P-9999 (1) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 1.37166 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 2.62504 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CB(4) at 50.5786 78.5868 24.6093 in (null):P-9999 (1) T0136 62 :VSPNTELRDIVPIDG 1llp 134 :PATQPAPDGLVPEPF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.15408 Ang CD(41) at 59.9217 96.6015 2.47637 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) other bump:2.05728 Ang OE2(43) at 58.6735 96.6309 2.40659 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) T0136 80 :YDVRDVIAKIVDWGDYLEVKAGY 1llp 149 :HTVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.28346 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.686 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.26673 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.87294 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.97645 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.7707 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.58842 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.43858 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:1.47474 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.74763 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.64244 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.16509 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.29898 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.9174 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.53458 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:1.89003 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.76789 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) Number of specific fragments= 3 total=239 Number of alignments=66 # Reading fragments from alignment file # T0136 read from T0136-1llp-simpleSW-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-simpleSW-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 82 :VRDVIAKIVDWGDYLEVK 1llp 151 :VDQIIARVNDAGEFDELE Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.68599 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.02261 in (null):K-9999 (18) other bump:2.87293 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.02261 in (null):K-9999 (18) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 1 total=240 # Reading fragments from alignment file # T0136 read from T0136-1llp-simpleSW-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-simpleSW-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 81 :DVRDVIAKIVDWGDY 1llp 150 :TVDQIIARVNDAGEF Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.97645 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.7707 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CH2(99) at 53.7698 96.9948 6.55677 in (null):W-9999 (12) other bump:2.58842 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.43858 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:1.47474 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.74763 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CZ2(97) at 53.9184 97.6886 5.38175 in (null):W-9999 (12) other bump:2.64244 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.16509 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.29898 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and NE1(96) at 53.3896 97.5712 2.92611 in (null):W-9999 (12) other bump:2.9174 Ang CG(59) at 51.6768 98.9382 5.71913 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.53458 Ang CD(60) at 52.4662 99.4544 4.53341 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:1.89003 Ang CE(61) at 53.8701 98.9107 4.55779 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) other bump:2.76789 Ang NZ(62) at 54.6432 99.4408 3.39334 in (null):K-9999 (8) and CE2(94) at 53.3889 97.115 4.21711 in (null):W-9999 (12) Number of specific fragments= 1 total=241 # Reading fragments from alignment file # T0136 read from T0136-1llp-vit-adpstyle1.pw.a2m.gz # 1llp read from T0136-1llp-vit-adpstyle1.pw.a2m.gz # found chain 1llp in training set T0136 82 :VRDVIAKIVDWGDYLEVKAGY 1llp 151 :VDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.28346 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.686 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and NZ(148) at 44.5216 87.5119 4.53181 in (null):K-9999 (18) other bump:2.26673 Ang CD1(110) at 46.382 88.6874 5.14116 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.87294 Ang CE1(112) at 47.1907 87.617 4.81372 in (null):Y-9999 (14) and CE(147) at 44.5845 87.6244 6.0226 in (null):K-9999 (18) other bump:2.7707 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.97645 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CH2(91) at 53.7698 96.9948 6.55677 in (null):W-9999 (11) other bump:2.43858 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:1.47474 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.74763 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.58842 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CZ2(89) at 53.9184 97.6886 5.38175 in (null):W-9999 (11) other bump:2.64244 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.16509 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.29898 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and NE1(88) at 53.3896 97.5712 2.92611 in (null):W-9999 (11) other bump:2.53458 Ang CD(52) at 52.4662 99.4544 4.53341 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:1.89003 Ang CE(53) at 53.8701 98.9107 4.55779 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.76789 Ang NZ(54) at 54.6432 99.4408 3.39334 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) other bump:2.9174 Ang CG(51) at 51.6768 98.9382 5.71913 in (null):K-9999 (7) and CE2(86) at 53.3889 97.115 4.21711 in (null):W-9999 (11) Number of specific fragments= 1 total=242 Number of alignments=67 # Reading fragments from alignment file # T0136 read from T0136-1llp-vit-adpstyle5.pw.a2m.gz # 1llp read from T0136-1llp-vit-adpstyle5.pw.a2m.gz # found chain 1llp in training set T0136 46 :PQNNTEEASFVN 1llp 122 :GAPQMNFFTGRK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 1.62716 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.68575 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CD1(74) at 58.9991 75.6046 -1.94447 in (null):F-9999 (10) neighbor-bump: 2.1103 Ang O(68) at 59.473 76.651 -0.792 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 2.74205 Ang C(69) at 60.485 76.984 -0.183 in (null):S-9999 (9) and CG(73) at 60.0658 76.0377 -2.72222 in (null):F-9999 (10) neighbor-bump: 0.558966 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 0.786078 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CD(6) at 52.8927 78.2392 24.4248 in (null):P-9999 (1) neighbor-bump: 1.70807 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) self-bump: 2.18003 Ang N(2) at 52.151 76.936 24.071 in (null):P-9999 (1) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 1.37166 Ang O(0) at 52.956 78.967 24.715 in (null):G-9999 (0) and CG(5) at 51.8342 78.617 25.4225 in (null):P-9999 (1) neighbor-bump: 2.62504 Ang C(1) at 53.065 77.745 24.621 in (null):G-9999 (0) and CB(4) at 50.5786 78.5868 24.6093 in (null):P-9999 (1) T0136 62 :VSPNTELRDIVPIDG 1llp 134 :PATQPAPDGLVPEPF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.15408 Ang CD(41) at 59.9217 96.6015 2.47637 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) other bump:2.05728 Ang OE2(43) at 58.6735 96.6309 2.40659 in (null):E-9999 (6) and CG2(77) at 56.9975 97.6309 3.05748 in (null):I-9999 (10) T0136 80 :YDVRDVIAKIVDWGDYLEVKAGY 1llp 149 :HTVDQIIARVNDAGEFDELELVW Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.28346 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.686 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and NZ(168) at 44.5216 87.5119 4.53181 in (null):K-9999 (20) other bump:2.26673 Ang CD1(130) at 46.382 88.6874 5.14116 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.87294 Ang CE1(132) at 47.1907 87.617 4.81372 in (null):Y-9999 (16) and CE(167) at 44.5845 87.6244 6.0226 in (null):K-9999 (20) other bump:2.97645 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.7707 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CH2(111) at 53.7698 96.9948 6.55677 in (null):W-9999 (13) other bump:2.58842 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.43858 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:1.47474 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.74763 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CZ2(109) at 53.9184 97.6886 5.38175 in (null):W-9999 (13) other bump:2.64244 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.16509 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.29898 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and NE1(108) at 53.3896 97.5712 2.92611 in (null):W-9999 (13) other bump:2.9174 Ang CG(71) at 51.6768 98.9382 5.71913 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.53458 Ang CD(72) at 52.4662 99.4544 4.53341 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:1.89003 Ang CE(73) at 53.8701 98.9107 4.55779 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) other bump:2.76789 Ang NZ(74) at 54.6432 99.4408 3.39334 in (null):K-9999 (9) and CE2(106) at 53.3889 97.115 4.21711 in (null):W-9999 (13) Number of specific fragments= 3 total=245 Number of alignments=68 # command:# Prefix for input files set to 1qpaA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1qpaA-T0136-local-adpstyle1.pw.a2m.gz # 1qpaA read from 1qpaA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 63 :SPNTELRDIVPIDGKKG 1qpaA 146 :EPFHTIDQVLARMLDAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.90874 Ang CG2(92) at 13.1541 51.8108 87.1295 in (null):I-9999 (12) and NZ(123) at 12.13 49.101 87.3926 in (null):K-9999 (16) other bump:3.07568 Ang C(65) at 13.783 57.998 86.576 in (null):D-9999 (8) and CD(85) at 16.8224 58.0197 87.0463 in (null):P-9999 (11) other bump:1.55951 Ang O(56) at 16.364 59.51 87.077 in (null):R-9999 (7) and CD(85) at 16.8224 58.0197 87.0463 in (null):P-9999 (11) other bump:2.69592 Ang C(57) at 15.585 60.383 86.657 in (null):R-9999 (7) and CD(85) at 16.8224 58.0197 87.0463 in (null):P-9999 (11) other bump:2.01504 Ang O(56) at 16.364 59.51 87.077 in (null):R-9999 (7) and CG(84) at 17.1124 58.3049 88.5081 in (null):P-9999 (11) other bump:3.17459 Ang C(57) at 15.585 60.383 86.657 in (null):R-9999 (7) and CG(84) at 17.1124 58.3049 88.5081 in (null):P-9999 (11) other bump:2.27018 Ang OG(5) at 4.00651 57.1923 83.4485 in (null):S-9999 (1) and OD1(20) at 3.88486 59.3859 84.0203 in (null):N-9999 (3) T0136 80 :YDVRDV 1qpaA 164 :FDEIET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 2 total=247 Number of alignments=69 # Reading fragments from alignment file # T0136 read from 1qpaA-T0136-local-adpstyle5.pw.a2m.gz # 1qpaA read from 1qpaA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set Number of specific fragments= 0 total=247 # Reading fragments from alignment file # T0136 read from 1qpaA-T0136-vit-adpstyle1.pw.a2m.gz # 1qpaA read from 1qpaA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 63 :SPNTELRDIVPIDGKKG 1qpaA 146 :EPFHTIDQVLARMLDAG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.90874 Ang CG2(92) at 13.1541 51.8108 87.1295 in (null):I-9999 (12) and NZ(123) at 12.13 49.101 87.3926 in (null):K-9999 (16) other bump:3.07568 Ang C(65) at 13.783 57.998 86.576 in (null):D-9999 (8) and CD(85) at 16.8224 58.0197 87.0463 in (null):P-9999 (11) other bump:1.55951 Ang O(56) at 16.364 59.51 87.077 in (null):R-9999 (7) and CD(85) at 16.8224 58.0197 87.0463 in (null):P-9999 (11) other bump:2.69592 Ang C(57) at 15.585 60.383 86.657 in (null):R-9999 (7) and CD(85) at 16.8224 58.0197 87.0463 in (null):P-9999 (11) other bump:2.01504 Ang O(56) at 16.364 59.51 87.077 in (null):R-9999 (7) and CG(84) at 17.1124 58.3049 88.5081 in (null):P-9999 (11) other bump:3.17459 Ang C(57) at 15.585 60.383 86.657 in (null):R-9999 (7) and CG(84) at 17.1124 58.3049 88.5081 in (null):P-9999 (11) other bump:2.27018 Ang OG(5) at 4.00651 57.1923 83.4485 in (null):S-9999 (1) and OD1(20) at 3.88486 59.3859 84.0203 in (null):N-9999 (3) T0136 80 :YDVRDV 1qpaA 164 :FDEIET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 2 total=249 Number of alignments=70 # Reading fragments from alignment file # T0136 read from 1qpaA-T0136-vit-adpstyle5.pw.a2m.gz # 1qpaA read from 1qpaA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set Number of specific fragments= 0 total=249 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :VT 1qpaA 0 :VA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADE 1qpaA 5 :GVHTASNA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.65369 Ang CG2(33) at 19.1481 19.5806 71.0839 in (null):T-9999 (5) and O(48) at 19.664 20.685 73.441 in (null):D-9999 (7) T0136 11 :LGGAEAHMAISGNIH 1qpaA 21 :LDDIQQNLFHGGQCG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0136 32 :DAAELIAKKLLSFLPQ 1qpaA 36 :AEAHEALRMVFHDSIA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.03616 Ang C(83) at 9.577 44.644 80.577 in (null):L-9999 (11) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) other bump:1.90698 Ang O(82) at 10.244 44.801 81.663 in (null):L-9999 (11) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) neighbor-bump: 2.62648 Ang N(101) at 10.854 41.711 82.971 in (null):L-9999 (14) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) neighbor-bump: 2.73619 Ang CB(103) at 12.9842 41.849 81.8502 in (null):L-9999 (14) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) neighbor-bump: 2.1271 Ang C(108) at 12.7 42.955 84.116 in (null):L-9999 (14) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) self-bump: 1.34314 Ang N(109) at 12.228 44.146 83.897 in (null):P-9999 (15) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) other bump:3.13175 Ang C(83) at 9.577 44.644 80.577 in (null):L-9999 (11) and CG(112) at 12.0452 45.5949 82.2539 in (null):P-9999 (15) other bump:2.05513 Ang O(82) at 10.244 44.801 81.663 in (null):L-9999 (11) and CG(112) at 12.0452 45.5949 82.2539 in (null):P-9999 (15) self-bump: 2.19832 Ang N(109) at 12.228 44.146 83.897 in (null):P-9999 (15) and CG(112) at 12.0452 45.5949 82.2539 in (null):P-9999 (15) other bump:1.32189 Ang O(0) at 3.082 42.935 65.946 in (null):G-9999 (0) and OE1(25) at 3.22348 44.1198 66.5149 in (null):E-9999 (4) other bump:2.11211 Ang C(1) at 2.065 42.967 65.177 in (null):G-9999 (0) and OE1(25) at 3.22348 44.1198 66.5149 in (null):E-9999 (4) other bump:2.25323 Ang O(0) at 3.082 42.935 65.946 in (null):G-9999 (0) and CD(24) at 4.16917 44.887 66.2372 in (null):E-9999 (4) other bump:3.0394 Ang C(1) at 2.065 42.967 65.177 in (null):G-9999 (0) and CD(24) at 4.16917 44.887 66.2372 in (null):E-9999 (4) T0136 48 :NNTEEASFVNP 1qpaA 118 :SNCPGAPQMQF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.71725 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.44178 Ang CA(73) at 19.531 35.056 71.37 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.54037 Ang O(78) at 17.447 35.272 72.442 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) neighbor-bump: 2.47255 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) T0136 59 :NNDVSPNTELRDIVPIDGKK 1qpaA 131 :GRPEATQAAPDGLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) T0136 104 :TN 1qpaA 173 :LS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 8 total=257 Number of alignments=71 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :VT 1qpaA 0 :VA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDV 1qpaA 5 :GVHT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 7 :TADE 1qpaA 10 :SNAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 13 :GAEAHMAISGNIH 1qpaA 23 :DIQQNLFHGGQCG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0136 32 :DAAELIAKKLLSFLPQ 1qpaA 36 :AEAHEALRMVFHDSIA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.03616 Ang C(83) at 9.577 44.644 80.577 in (null):L-9999 (11) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) other bump:1.90698 Ang O(82) at 10.244 44.801 81.663 in (null):L-9999 (11) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) neighbor-bump: 2.62648 Ang N(101) at 10.854 41.711 82.971 in (null):L-9999 (14) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) neighbor-bump: 2.73619 Ang CB(103) at 12.9842 41.849 81.8502 in (null):L-9999 (14) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) neighbor-bump: 2.1271 Ang C(108) at 12.7 42.955 84.116 in (null):L-9999 (14) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) self-bump: 1.34314 Ang N(109) at 12.228 44.146 83.897 in (null):P-9999 (15) and CD(113) at 11.7489 44.1584 82.6423 in (null):P-9999 (15) other bump:3.13175 Ang C(83) at 9.577 44.644 80.577 in (null):L-9999 (11) and CG(112) at 12.0452 45.5949 82.2539 in (null):P-9999 (15) other bump:2.05513 Ang O(82) at 10.244 44.801 81.663 in (null):L-9999 (11) and CG(112) at 12.0452 45.5949 82.2539 in (null):P-9999 (15) self-bump: 2.19832 Ang N(109) at 12.228 44.146 83.897 in (null):P-9999 (15) and CG(112) at 12.0452 45.5949 82.2539 in (null):P-9999 (15) other bump:1.32189 Ang O(0) at 3.082 42.935 65.946 in (null):G-9999 (0) and OE1(25) at 3.22348 44.1198 66.5149 in (null):E-9999 (4) other bump:2.11211 Ang C(1) at 2.065 42.967 65.177 in (null):G-9999 (0) and OE1(25) at 3.22348 44.1198 66.5149 in (null):E-9999 (4) other bump:2.25323 Ang O(0) at 3.082 42.935 65.946 in (null):G-9999 (0) and CD(24) at 4.16917 44.887 66.2372 in (null):E-9999 (4) other bump:3.0394 Ang C(1) at 2.065 42.967 65.177 in (null):G-9999 (0) and CD(24) at 4.16917 44.887 66.2372 in (null):E-9999 (4) T0136 48 :NNTEEASFVNP 1qpaA 118 :SNCPGAPQMQF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.71725 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.44178 Ang CA(73) at 19.531 35.056 71.37 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.54037 Ang O(78) at 17.447 35.272 72.442 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) neighbor-bump: 2.47255 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) T0136 59 :NNDVSPNTELRDIVPIDGK 1qpaA 131 :GRPEATQAAPDGLVPEPFH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.95578 Ang CD1(124) at 4.53387 56.607 86.5362 in (null):I-9999 (16) and NZ(145) at 5.32458 58.1329 87.4697 in (null):K-9999 (19) other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) T0136 104 :T 1qpaA 173 :L Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 9 total=266 Number of alignments=72 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 38 :AKKLLSFLPQNNTEEASFVNP 1qpaA 108 :FIAFAGAVGVSNCPGAPQMQF Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.11057 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and CD(164) at 18.0528 33.1127 71.4018 in (null):P-9999 (21) neighbor-bump: 2.44178 Ang CA(153) at 19.531 35.056 71.37 in (null):N-9999 (20) and CD(164) at 18.0528 33.1127 71.4018 in (null):P-9999 (21) neighbor-bump: 1.71725 Ang C(159) at 18.415 34.57 72.235 in (null):N-9999 (20) and CD(164) at 18.0528 33.1127 71.4018 in (null):P-9999 (21) other bump:2.70277 Ang CD2(52) at 15.3855 34.4018 69.6937 in (null):F-9999 (7) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) other bump:2.98573 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) neighbor-bump: 2.54037 Ang O(158) at 17.447 35.272 72.442 in (null):N-9999 (20) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) neighbor-bump: 2.47255 Ang C(159) at 18.415 34.57 72.235 in (null):N-9999 (20) and CG(163) at 16.5794 33.0096 71.679 in (null):P-9999 (21) other bump:2.24345 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and N(152) at 19.052 36.2 70.586 in (null):N-9999 (20) other bump:2.70657 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and N(152) at 19.052 36.2 70.586 in (null):N-9999 (20) other bump:2.77584 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:1.51698 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:2.97033 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:1.71343 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and C(151) at 18.74 36.053 69.308 in (null):V-9999 (19) other bump:2.23555 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and O(150) at 18.897 34.961 68.732 in (null):V-9999 (19) other bump:2.54692 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and O(150) at 18.897 34.961 68.732 in (null):V-9999 (19) other bump:1.50444 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and O(150) at 18.897 34.961 68.732 in (null):V-9999 (19) other bump:2.50096 Ang OD1(87) at 15.6289 37.5271 65.6309 in (null):N-9999 (11) and CG2(149) at 16.0869 38.4339 67.9162 in (null):V-9999 (19) other bump:2.76904 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CG2(149) at 16.0869 38.4339 67.9162 in (null):V-9999 (19) other bump:2.70036 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CG2(149) at 16.0869 38.4339 67.9162 in (null):V-9999 (19) other bump:2.71381 Ang CB(49) at 14.011 35.9621 71.1216 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:1.82605 Ang CG(50) at 15.2106 35.644 70.2724 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:0.517932 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:2.90266 Ang CD2(52) at 15.3855 34.4018 69.6937 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:1.54289 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:2.70114 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and CG1(148) at 16.198 37.1648 70.056 in (null):V-9999 (19) other bump:2.71685 Ang CG(50) at 15.2106 35.644 70.2724 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:1.62586 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:1.19096 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:3.08669 Ang CE2(54) at 16.4889 34.1538 68.9227 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:2.18442 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and CB(147) at 16.6756 37.2192 68.613 in (null):V-9999 (19) other bump:2.69757 Ang CD1(51) at 16.1289 36.6519 70.0352 in (null):F-9999 (7) and CA(146) at 18.285 37.322 68.559 in (null):V-9999 (19) other bump:1.53733 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and CA(146) at 18.285 37.322 68.559 in (null):V-9999 (19) other bump:2.33573 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and CA(146) at 18.285 37.322 68.559 in (null):V-9999 (19) other bump:2.66219 Ang CE1(53) at 17.2644 36.3995 69.2451 in (null):F-9999 (7) and N(145) at 18.663 37.287 67.161 in (null):V-9999 (19) other bump:2.91083 Ang CZ(55) at 17.4064 35.1627 68.7041 in (null):F-9999 (7) and N(145) at 18.663 37.287 67.161 in (null):V-9999 (19) other bump:1.2997 Ang O(39) at 8.574 36.635 70.619 in (null):L-9999 (5) and CD(70) at 8.95724 36.7498 69.3824 in (null):P-9999 (9) other bump:2.47977 Ang C(40) at 8.772 36.177 71.788 in (null):L-9999 (5) and CD(70) at 8.95724 36.7498 69.3824 in (null):P-9999 (9) other bump:1.66737 Ang O(39) at 8.574 36.635 70.619 in (null):L-9999 (5) and CG(69) at 7.63821 37.4847 69.5316 in (null):P-9999 (9) other bump:2.84374 Ang C(40) at 8.772 36.177 71.788 in (null):L-9999 (5) and CG(69) at 7.63821 37.4847 69.5316 in (null):P-9999 (9) T0136 59 :NNDVSPNTELRDIVPIDGKK 1qpaA 131 :GRPEATQAAPDGLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 3 total=269 Number of alignments=73 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 32 :DAAELIAK 1qpaA 108 :FIAFAGAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.51169 Ang OD1(6) at 4.89276 32.2379 76.1512 in (null):D-9999 (1) and CD1(33) at 5.16786 33.6345 74.0818 in (null):L-9999 (5) T0136 41 :LLSFLPQNNTEEASFVNPNNDVSP 1qpaA 116 :GVSNCPGAPQMQFFLGRPEATQAA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(157) at 6.75298 35.437 91.7121 in (null):N-9999 (20) and C(174) at 5.789 37.395 93.178 in (null):V-9999 (22) other bump:2.26434 Ang OD1(157) at 6.75298 35.437 91.7121 in (null):N-9999 (20) and O(173) at 6.775 37.563 92.491 in (null):V-9999 (22) other bump:2.26152 Ang OD1(157) at 6.75298 35.437 91.7121 in (null):N-9999 (20) and N(168) at 6.639 35.188 93.957 in (null):V-9999 (22) neighbor-bump: 2.31514 Ang O(120) at 18.299 28.323 80.621 in (null):F-9999 (15) and CG2(126) at 17.6844 26.5604 81.9905 in (null):V-9999 (16) neighbor-bump: 2.78779 Ang C(121) at 17.188 28.768 80.362 in (null):F-9999 (15) and CG2(126) at 17.6844 26.5604 81.9905 in (null):V-9999 (16) other bump:2.69737 Ang C(17) at 12.194 40.123 65.591 in (null):L-9999 (2) and OE1(87) at 14.1129 39.5932 67.4111 in (null):E-9999 (11) other bump:2.79165 Ang CA(11) at 11.551 40.581 66.907 in (null):L-9999 (2) and OE1(87) at 14.1129 39.5932 67.4111 in (null):E-9999 (11) other bump:1.98414 Ang CB(12) at 12.6708 40.847 67.9451 in (null):L-9999 (2) and OE1(87) at 14.1129 39.5932 67.4111 in (null):E-9999 (11) other bump:2.88708 Ang CB(12) at 12.6708 40.847 67.9451 in (null):L-9999 (2) and CD(86) at 14.6871 38.7942 68.1815 in (null):E-9999 (11) other bump:2.45365 Ang CA(19) at 13.186 38.269 64.329 in (null):S-9999 (3) and ND2(63) at 15.0589 39.4956 63.3249 in (null):N-9999 (8) T0136 68 :LRDIVPIDGK 1qpaA 140 :PDGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.95578 Ang CD1(56) at 4.53387 56.607 86.5362 in (null):I-9999 (7) and NZ(77) at 5.32458 58.1329 87.4697 in (null):K-9999 (10) other bump:2.56483 Ang O(8) at 6.256 46.281 91.372 in (null):L-9999 (1) and CD1(34) at 8.81399 46.3385 91.5502 in (null):I-9999 (4) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) Number of specific fragments= 4 total=273 Number of alignments=74 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :VTGEDV 1qpaA 0 :VACPDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 7 :TADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFLPQ 1qpaA 11 :NAACCAWFPVLDDIQQNLFHGGQCGAEAHEALRMVFHDSIA Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues neighbor-bump: 2.62648 Ang N(280) at 10.854 41.711 82.971 in (null):L-9999 (39) and CD(292) at 11.7489 44.1584 82.6423 in (null):P-9999 (40) other bump:1.90698 Ang O(261) at 10.244 44.801 81.663 in (null):L-9999 (36) and CD(292) at 11.7489 44.1584 82.6423 in (null):P-9999 (40) other bump:3.03616 Ang C(262) at 9.577 44.644 80.577 in (null):L-9999 (36) and CD(292) at 11.7489 44.1584 82.6423 in (null):P-9999 (40) neighbor-bump: 2.73619 Ang CB(282) at 12.9842 41.849 81.8502 in (null):L-9999 (39) and CD(292) at 11.7489 44.1584 82.6423 in (null):P-9999 (40) neighbor-bump: 2.1271 Ang C(287) at 12.7 42.955 84.116 in (null):L-9999 (39) and CD(292) at 11.7489 44.1584 82.6423 in (null):P-9999 (40) self-bump: 1.34314 Ang N(288) at 12.228 44.146 83.897 in (null):P-9999 (40) and CD(292) at 11.7489 44.1584 82.6423 in (null):P-9999 (40) other bump:2.05513 Ang O(261) at 10.244 44.801 81.663 in (null):L-9999 (36) and CG(291) at 12.0452 45.5949 82.2539 in (null):P-9999 (40) other bump:3.13175 Ang C(262) at 9.577 44.644 80.577 in (null):L-9999 (36) and CG(291) at 12.0452 45.5949 82.2539 in (null):P-9999 (40) self-bump: 2.19832 Ang N(288) at 12.228 44.146 83.897 in (null):P-9999 (40) and CG(291) at 12.0452 45.5949 82.2539 in (null):P-9999 (40) other bump:2.2181 Ang CE1(129) at 5.00987 36.5761 68.1998 in (null):H-9999 (19) and CD1(221) at 4.89561 37.1906 70.328 in (null):I-9999 (31) other bump:2.11211 Ang C(180) at 2.065 42.967 65.177 in (null):D-9999 (25) and OE1(204) at 3.22348 44.1198 66.5149 in (null):E-9999 (29) other bump:1.32189 Ang O(179) at 3.082 42.935 65.946 in (null):D-9999 (25) and OE1(204) at 3.22348 44.1198 66.5149 in (null):E-9999 (29) other bump:3.0394 Ang C(180) at 2.065 42.967 65.177 in (null):D-9999 (25) and CD(203) at 4.16917 44.887 66.2372 in (null):E-9999 (29) other bump:2.25323 Ang O(179) at 3.082 42.935 65.946 in (null):D-9999 (25) and CD(203) at 4.16917 44.887 66.2372 in (null):E-9999 (29) neighbor-bump: 2.40081 Ang C(150) at 3.84 34.09 59.788 in (null):V-9999 (21) and CB(153) at 6.23889 33.9939 59.7884 in (null):A-9999 (22) neighbor-bump: 2.22661 Ang O(149) at 4.346 34.517 58.739 in (null):V-9999 (21) and CB(153) at 6.23889 33.9939 59.7884 in (null):A-9999 (22) neighbor-bump: 2.49525 Ang C(143) at 0.757 34.475 60.865 in (null):F-9999 (20) and CB(146) at 1.36002 33.6178 58.6005 in (null):V-9999 (21) neighbor-bump: 2.25715 Ang O(142) at 0.563 35.252 59.938 in (null):F-9999 (20) and CB(146) at 1.36002 33.6178 58.6005 in (null):V-9999 (21) neighbor-bump: 2.53601 Ang CD2(70) at 10.1508 28.0088 64.3186 in (null):H-9999 (11) and CE(81) at 8.95754 26.3949 62.7685 in (null):M-9999 (12) other bump:1.87753 Ang OG1(6) at 21.3994 22.6876 75.2141 in (null):T-9999 (1) and OE2(28) at 20.6445 24.2302 74.4553 in (null):E-9999 (4) other bump:1.69623 Ang O(7) at 19.664 20.685 73.441 in (null):T-9999 (1) and OE1(27) at 20.0184 22.342 73.5188 in (null):E-9999 (4) other bump:2.5363 Ang CA(3) at 21.986 20.82 74.014 in (null):T-9999 (1) and OE1(27) at 20.0184 22.342 73.5188 in (null):E-9999 (4) other bump:2.30939 Ang C(8) at 20.608 20.164 74.011 in (null):T-9999 (1) and OE1(27) at 20.0184 22.342 73.5188 in (null):E-9999 (4) other bump:2.21366 Ang OG1(6) at 21.3994 22.6876 75.2141 in (null):T-9999 (1) and OE1(27) at 20.0184 22.342 73.5188 in (null):E-9999 (4) other bump:2.29465 Ang OG1(6) at 21.3994 22.6876 75.2141 in (null):T-9999 (1) and CD(26) at 19.8757 23.5634 73.7386 in (null):E-9999 (4) T0136 48 :NNTEEASFVNPNNDVSPNTELRDIVPIDGKK 1qpaA 120 :CPGAPQMQFFLGRPEATQAAPDGLVPEPFHT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.56483 Ang O(161) at 6.256 46.281 91.372 in (null):L-9999 (21) and CD1(187) at 8.81399 46.3385 91.5502 in (null):I-9999 (24) other bump:3.2194 Ang CD(150) at 8.38068 44.3769 88.8617 in (null):E-9999 (20) and CG2(186) at 10.1324 47.0769 88.7845 in (null):I-9999 (24) other bump:2.1332 Ang OE2(152) at 9.42286 45.0652 88.798 in (null):E-9999 (20) and CG2(186) at 10.1324 47.0769 88.7845 in (null):I-9999 (24) neighbor-bump: 1.72942 Ang O(85) at 18.299 28.323 80.621 in (null):P-9999 (11) and ND2(91) at 19.5968 27.5298 81.4441 in (null):N-9999 (12) neighbor-bump: 1.83737 Ang O(85) at 18.299 28.323 80.621 in (null):P-9999 (11) and CG(90) at 18.4904 27.3033 82.1374 in (null):N-9999 (12) neighbor-bump: 2.64456 Ang C(86) at 17.188 28.768 80.362 in (null):P-9999 (11) and CG(90) at 18.4904 27.3033 82.1374 in (null):N-9999 (12) neighbor-bump: 2.2464 Ang O(85) at 18.299 28.323 80.621 in (null):P-9999 (11) and CB(89) at 17.8666 28.5069 82.8177 in (null):N-9999 (12) neighbor-bump: 2.56109 Ang C(86) at 17.188 28.768 80.362 in (null):P-9999 (11) and CB(89) at 17.8666 28.5069 82.8177 in (null):N-9999 (12) other bump:2.51023 Ang O(8) at 12.995 42.495 61.299 in (null):N-9999 (1) and CG(28) at 13.7054 42.141 63.6805 in (null):E-9999 (4) neighbor-bump: 2.69759 Ang C(17) at 13.81 44.282 59.424 in (null):N-9999 (2) and OG1(22) at 14.9885 46.6093 58.7373 in (null):T-9999 (3) neighbor-bump: 2.51861 Ang C(17) at 13.81 44.282 59.424 in (null):N-9999 (2) and CB(20) at 15.2801 46.2104 60.105 in (null):T-9999 (3) neighbor-bump: 2.12756 Ang O(16) at 13.368 45.289 59.958 in (null):N-9999 (2) and CB(20) at 15.2801 46.2104 60.105 in (null):T-9999 (3) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 4 total=277 Number of alignments=75 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :VTGEDV 1qpaA 0 :VACPDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 7 :TADE 1qpaA 10 :SNAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 13 :GAEAHMAIS 1qpaA 35 :GAEAHEALR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 22 :G 1qpaA 65 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 30 :DDDAAELIAKKLLSFLPQ 1qpaA 86 :GLDEVVAIQKPFIAKHGV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 1.61587 Ang C(124) at 4.436 22.784 77.134 in (null):L-9999 (16) and CD(129) at 3.64973 21.5474 77.8149 in (null):P-9999 (17) self-bump: 2.22136 Ang CA(126) at 4.458 22.731 79.512 in (null):P-9999 (17) and CD(129) at 3.64973 21.5474 77.8149 in (null):P-9999 (17) neighbor-bump: 2.20823 Ang O(123) at 5.565 22.276 76.992 in (null):L-9999 (16) and CD(129) at 3.64973 21.5474 77.8149 in (null):P-9999 (17) T0136 48 :NNTEEASFVNPNN 1qpaA 123 :APQMQFFLGRPEA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.31514 Ang O(63) at 18.299 28.323 80.621 in (null):F-9999 (8) and CG2(69) at 17.6844 26.5604 81.9905 in (null):V-9999 (9) neighbor-bump: 2.78779 Ang C(64) at 17.188 28.768 80.362 in (null):F-9999 (8) and CG2(69) at 17.6844 26.5604 81.9905 in (null):V-9999 (9) T0136 64 :PNTELRDIVPIDGK 1qpaA 136 :TQAAPDGLVPEPFH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.95578 Ang CD1(87) at 4.53387 56.607 86.5362 in (null):I-9999 (11) and NZ(108) at 5.32458 58.1329 87.4697 in (null):K-9999 (14) other bump:2.56483 Ang O(39) at 6.256 46.281 91.372 in (null):L-9999 (5) and CD1(65) at 8.81399 46.3385 91.5502 in (null):I-9999 (8) other bump:3.2194 Ang CD(28) at 8.38069 44.3769 88.8617 in (null):E-9999 (4) and CG2(64) at 10.1324 47.0769 88.7845 in (null):I-9999 (8) other bump:2.1332 Ang OE2(30) at 9.42286 45.0652 88.798 in (null):E-9999 (4) and CG2(64) at 10.1324 47.0769 88.7845 in (null):I-9999 (8) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) Number of specific fragments= 8 total=285 Number of alignments=76 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 42 :LSFLPQNNTEEASFVNPNNDVSPNTELR 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAPDGLV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.71737 Ang OD1(185) at 8.25131 46.4432 93.4009 in (null):N-9999 (24) and CD1(208) at 9.769 46.324 91.15 in (null):L-9999 (27) other bump:2.7764 Ang CB(182) at 6.27333 45.9632 94.7231 in (null):N-9999 (24) and OE2(201) at 6.75522 48.6974 94.7418 in (null):E-9999 (26) other bump:2.53515 Ang CG(183) at 7.73865 46.371 94.5241 in (null):N-9999 (24) and OE2(201) at 6.75522 48.6974 94.7418 in (null):E-9999 (26) neighbor-bump: 2.13271 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and OE2(201) at 6.75522 48.6974 94.7418 in (null):E-9999 (26) neighbor-bump: 2.33866 Ang CA(189) at 4.418 48.432 91.607 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 2.46449 Ang CB(190) at 3.13511 49.2443 92.1108 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.76525 Ang C(194) at 5.503 49.452 91.777 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.7936 Ang OG1(192) at 3.35844 49.7932 93.4196 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.52859 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and OE1(200) at 5.14024 49.6034 93.4979 in (null):E-9999 (26) neighbor-bump: 1.24799 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and CD(199) at 6.33197 49.5267 93.9064 in (null):E-9999 (26) neighbor-bump: 2.7059 Ang C(194) at 5.503 49.452 91.777 in (null):T-9999 (25) and CG(198) at 7.40203 50.4886 93.4021 in (null):E-9999 (26) neighbor-bump: 1.78597 Ang O(193) at 6.382 49.2 92.703 in (null):T-9999 (25) and CG(198) at 7.40203 50.4886 93.4021 in (null):E-9999 (26) neighbor-bump: 2.69389 Ang C(194) at 5.503 49.452 91.777 in (null):T-9999 (25) and CB(197) at 6.77619 51.6579 92.6546 in (null):E-9999 (26) other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 76 :GKKGYDVRDVIAKIVDWGDYLEVKA 1qpaA 145 :PEPFHTIDQVLARMLDAGGFDEIET Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.90382 Ang CG(97) at 13.027 51.8825 87.2022 in (null):K-9999 (13) and CH2(137) at 11.5433 49.9476 85.6251 in (null):W-9999 (17) other bump:2.81001 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CH2(137) at 11.5433 49.9476 85.6251 in (null):W-9999 (17) other bump:2.42855 Ang CG(97) at 13.027 51.8825 87.2022 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:2.3504 Ang CD(98) at 12.8236 51.2125 88.5457 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:1.44956 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:2.79959 Ang NZ(100) at 11.6936 49.3897 89.7456 in (null):K-9999 (13) and CZ2(135) at 11.703 49.8581 86.9855 in (null):W-9999 (17) other bump:2.259 Ang CD(98) at 12.8236 51.2125 88.5457 in (null):K-9999 (13) and NE1(134) at 13.2839 49.0101 88.7476 in (null):W-9999 (17) other bump:1.75245 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and NE1(134) at 13.2839 49.0101 88.7476 in (null):W-9999 (17) other bump:1.91549 Ang NZ(100) at 11.6936 49.3897 89.7456 in (null):K-9999 (13) and NE1(134) at 13.2839 49.0101 88.7476 in (null):W-9999 (17) other bump:2.662 Ang CG(97) at 13.027 51.8825 87.2022 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:2.25163 Ang CD(98) at 12.8236 51.2125 88.5457 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:1.56826 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:2.56981 Ang NZ(100) at 11.6936 49.3897 89.7456 in (null):K-9999 (13) and CE2(132) at 12.866 49.2383 87.4638 in (null):W-9999 (17) other bump:2.97427 Ang CE(99) at 11.8999 50.031 88.4112 in (null):K-9999 (13) and CD2(131) at 13.8545 48.7135 86.5974 in (null):W-9999 (17) other bump:2.8556 Ang CB(8) at 4.99931 56.353 83.9217 in (null):K-9999 (2) and CE1(34) at 6.36136 56.4533 86.4295 in (null):Y-9999 (5) other bump:2.85383 Ang CB(8) at 4.99931 56.353 83.9217 in (null):K-9999 (2) and CD1(32) at 7.20109 57.1641 85.5461 in (null):Y-9999 (5) other bump:2.84526 Ang N(6) at 7.105 55.181 83.508 in (null):K-9999 (2) and CD1(32) at 7.20109 57.1641 85.5461 in (null):Y-9999 (5) Number of specific fragments= 2 total=287 Number of alignments=77 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 31 :DDAAELIAKK 1qpaA 107 :DFIAFAGAVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.80641 Ang CD(32) at 10.6176 29.4714 72.491 in (null):E-9999 (5) and NZ(64) at 9.51978 31.0597 70.4543 in (null):K-9999 (9) other bump:2.79432 Ang OD2(15) at 4.82138 32.3028 76.5138 in (null):D-9999 (2) and CD1(41) at 5.16786 33.6345 74.0818 in (null):L-9999 (6) T0136 42 :LSFLPQNNTEEASFVNPNNDVSPN 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 69 :RDIVPIDG 1qpaA 141 :DGLVPEPF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.56483 Ang O(0) at 6.256 46.281 91.372 in (null):G-9999 (0) and CD1(26) at 8.81399 46.3385 91.5502 in (null):I-9999 (3) T0136 80 :YDVRDVIAKIVDWGDYLEVKA 1qpaA 149 :HTIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.90382 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.81001 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.42855 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.3504 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:1.44956 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.79959 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.259 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.75245 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.91549 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:2.662 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.25163 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:1.56826 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.56981 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.97427 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CD2(105) at 13.8545 48.7135 86.5974 in (null):W-9999 (13) Number of specific fragments= 4 total=291 Number of alignments=78 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :V 1qpaA 0 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0136 2 :TGEDVTADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFLPQ 1qpaA 6 :VHTASNAACCAWFPVLDDIQQNLFHGGQCGAEAHEALRMVFHDSIA Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues neighbor-bump: 2.62648 Ang N(315) at 10.854 41.711 82.971 in (null):L-9999 (44) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) other bump:1.90698 Ang O(296) at 10.244 44.801 81.663 in (null):L-9999 (41) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) other bump:3.03616 Ang C(297) at 9.577 44.644 80.577 in (null):L-9999 (41) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) self-bump: 1.34314 Ang N(323) at 12.228 44.146 83.897 in (null):P-9999 (45) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) neighbor-bump: 2.73619 Ang CB(317) at 12.9842 41.849 81.8502 in (null):L-9999 (44) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) neighbor-bump: 2.1271 Ang C(322) at 12.7 42.955 84.116 in (null):L-9999 (44) and CD(327) at 11.7489 44.1584 82.6423 in (null):P-9999 (45) other bump:2.05513 Ang O(296) at 10.244 44.801 81.663 in (null):L-9999 (41) and CG(326) at 12.0452 45.5949 82.2539 in (null):P-9999 (45) other bump:3.13175 Ang C(297) at 9.577 44.644 80.577 in (null):L-9999 (41) and CG(326) at 12.0452 45.5949 82.2539 in (null):P-9999 (45) self-bump: 2.19832 Ang N(323) at 12.228 44.146 83.897 in (null):P-9999 (45) and CG(326) at 12.0452 45.5949 82.2539 in (null):P-9999 (45) other bump:2.2181 Ang CE1(164) at 5.00987 36.5761 68.1998 in (null):H-9999 (24) and CD1(256) at 4.89561 37.1906 70.328 in (null):I-9999 (36) other bump:2.11211 Ang C(215) at 2.065 42.967 65.177 in (null):D-9999 (30) and OE1(239) at 3.22348 44.1198 66.5149 in (null):E-9999 (34) other bump:1.32189 Ang O(214) at 3.082 42.935 65.946 in (null):D-9999 (30) and OE1(239) at 3.22348 44.1198 66.5149 in (null):E-9999 (34) other bump:3.0394 Ang C(215) at 2.065 42.967 65.177 in (null):D-9999 (30) and CD(238) at 4.16917 44.887 66.2372 in (null):E-9999 (34) other bump:2.25323 Ang O(214) at 3.082 42.935 65.946 in (null):D-9999 (30) and CD(238) at 4.16917 44.887 66.2372 in (null):E-9999 (34) neighbor-bump: 2.40081 Ang C(185) at 3.84 34.09 59.788 in (null):V-9999 (26) and CB(188) at 6.23889 33.9939 59.7884 in (null):A-9999 (27) neighbor-bump: 2.22661 Ang O(184) at 4.346 34.517 58.739 in (null):V-9999 (26) and CB(188) at 6.23889 33.9939 59.7884 in (null):A-9999 (27) neighbor-bump: 2.49525 Ang C(178) at 0.757 34.475 60.865 in (null):F-9999 (25) and CB(181) at 1.36002 33.6178 58.6005 in (null):V-9999 (26) neighbor-bump: 2.25715 Ang O(177) at 0.563 35.252 59.938 in (null):F-9999 (25) and CB(181) at 1.36002 33.6178 58.6005 in (null):V-9999 (26) neighbor-bump: 2.53601 Ang CD2(105) at 10.1508 28.0088 64.3186 in (null):H-9999 (16) and CE(116) at 8.95754 26.3949 62.7685 in (null):M-9999 (17) other bump:1.87753 Ang OG1(41) at 21.3994 22.6876 75.2141 in (null):T-9999 (6) and OE2(63) at 20.6445 24.2302 74.4553 in (null):E-9999 (9) other bump:1.69623 Ang O(42) at 19.664 20.685 73.441 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.30939 Ang C(43) at 20.608 20.164 74.011 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:1.83584 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.5363 Ang CA(38) at 21.986 20.82 74.014 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.21366 Ang OG1(41) at 21.3994 22.6876 75.2141 in (null):T-9999 (6) and OE1(62) at 20.0184 22.342 73.5188 in (null):E-9999 (9) other bump:2.58397 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and CD(61) at 19.8757 23.5634 73.7386 in (null):E-9999 (9) other bump:2.29464 Ang OG1(41) at 21.3994 22.6876 75.2141 in (null):T-9999 (6) and CD(61) at 19.8757 23.5634 73.7386 in (null):E-9999 (9) other bump:2.79299 Ang CG(25) at 19.4398 21.8313 70.9139 in (null):D-9999 (4) and CB(59) at 17.7255 23.4136 72.4496 in (null):E-9999 (9) other bump:2.15818 Ang OD2(27) at 18.6196 22.7371 70.6055 in (null):D-9999 (4) and CB(59) at 17.7255 23.4136 72.4496 in (null):E-9999 (9) other bump:2.24513 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and O(42) at 19.664 20.685 73.441 in (null):T-9999 (6) other bump:2.28221 Ang OD1(26) at 20.3679 21.986 71.7521 in (null):D-9999 (4) and N(37) at 22.291 21.123 72.627 in (null):T-9999 (6) T0136 48 :NNTEEASFVNP 1qpaA 118 :SNCPGAPQMQF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.71725 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.44178 Ang CA(73) at 19.531 35.056 71.37 in (null):N-9999 (10) and CD(84) at 18.0528 33.1127 71.4018 in (null):P-9999 (11) neighbor-bump: 2.54037 Ang O(78) at 17.447 35.272 72.442 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) neighbor-bump: 2.47255 Ang C(79) at 18.415 34.57 72.235 in (null):N-9999 (10) and CG(83) at 16.5794 33.0096 71.679 in (null):P-9999 (11) T0136 59 :NNDVSPNTELRDIVPIDGKK 1qpaA 131 :GRPEATQAAPDGLVPEPFHT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 5 total=296 Number of alignments=79 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 1 :VT 1qpaA 0 :VA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 4 :EDV 1qpaA 6 :VHT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 7 :TADE 1qpaA 10 :SNAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 13 :GAEAHMAISGNIH 1qpaA 35 :GAEAHEALRMVFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0136 49 :NTEEASFVNP 1qpaA 119 :NCPGAPQMQF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 1.71725 Ang C(71) at 18.415 34.57 72.235 in (null):N-9999 (9) and CD(76) at 18.0528 33.1127 71.4018 in (null):P-9999 (10) neighbor-bump: 2.44178 Ang CA(65) at 19.531 35.056 71.37 in (null):N-9999 (9) and CD(76) at 18.0528 33.1127 71.4018 in (null):P-9999 (10) neighbor-bump: 2.54037 Ang O(70) at 17.447 35.272 72.442 in (null):N-9999 (9) and CG(75) at 16.5794 33.0096 71.679 in (null):P-9999 (10) neighbor-bump: 2.47255 Ang C(71) at 18.415 34.57 72.235 in (null):N-9999 (9) and CG(75) at 16.5794 33.0096 71.679 in (null):P-9999 (10) T0136 59 :NNDVSPNTELRDIVPIDGK 1qpaA 131 :GRPEATQAAPDGLVPEPFH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.95578 Ang CD1(124) at 4.53387 56.607 86.5362 in (null):I-9999 (16) and NZ(145) at 5.32458 58.1329 87.4697 in (null):K-9999 (19) other bump:2.56483 Ang O(76) at 6.256 46.281 91.372 in (null):L-9999 (10) and CD1(102) at 8.81399 46.3385 91.5502 in (null):I-9999 (13) other bump:3.2194 Ang CD(65) at 8.38068 44.3769 88.8617 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) other bump:2.1332 Ang OE2(67) at 9.42286 45.0652 88.798 in (null):E-9999 (9) and CG2(101) at 10.1324 47.0769 88.7845 in (null):I-9999 (13) neighbor-bump: 2.83509 Ang C(1) at 17.188 28.768 80.362 in (null):G-9999 (0) and CG(5) at 17.1828 26.3366 81.8201 in (null):N-9999 (1) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) T0136 104 :T 1qpaA 173 :L Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 8 total=304 Number of alignments=80 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 42 :LSFLPQNNTEEASFVNPNNDVSPN 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 69 :RDIVPIDGKK 1qpaA 141 :DGLVPEPFHT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.56483 Ang O(0) at 6.256 46.281 91.372 in (null):G-9999 (0) and CD1(26) at 8.81399 46.3385 91.5502 in (null):I-9999 (3) T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 3 total=307 Number of alignments=81 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 26 :FVAEDDDAAELIAKK 1qpaA 102 :GVTPGDFIAFAGAVG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.80641 Ang CD(72) at 10.6176 29.4714 72.491 in (null):E-9999 (10) and NZ(104) at 9.51978 31.0597 70.4543 in (null):K-9999 (14) other bump:2.79432 Ang OD2(55) at 4.82138 32.3028 76.5138 in (null):D-9999 (7) and CD1(81) at 5.16786 33.6345 74.0818 in (null):L-9999 (11) T0136 42 :LSFLPQNNTEEASFVNPNNDVSPN 1qpaA 117 :VSNCPGAPQMQFFLGRPEATQAAP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.62908 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and C(166) at 5.789 37.395 93.178 in (null):V-9999 (21) other bump:2.26434 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and O(165) at 6.775 37.563 92.491 in (null):V-9999 (21) other bump:2.26152 Ang OD1(149) at 6.75298 35.437 91.7121 in (null):N-9999 (19) and N(160) at 6.639 35.188 93.957 in (null):V-9999 (21) neighbor-bump: 2.31514 Ang O(112) at 18.299 28.323 80.621 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) neighbor-bump: 2.78779 Ang C(113) at 17.188 28.768 80.362 in (null):F-9999 (14) and CG2(118) at 17.6844 26.5604 81.9905 in (null):V-9999 (15) other bump:2.69737 Ang C(9) at 12.194 40.123 65.591 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.79165 Ang CA(3) at 11.551 40.581 66.907 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:1.98414 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and OE1(79) at 14.1129 39.5932 67.4111 in (null):E-9999 (10) other bump:2.88708 Ang CB(4) at 12.6708 40.847 67.9451 in (null):L-9999 (1) and CD(78) at 14.6871 38.7942 68.1815 in (null):E-9999 (10) other bump:2.45365 Ang CA(11) at 13.186 38.269 64.329 in (null):S-9999 (2) and ND2(55) at 15.0589 39.4956 63.3249 in (null):N-9999 (7) T0136 69 :RDIVPIDGK 1qpaA 141 :DGLVPEPFH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95578 Ang CD1(48) at 4.53387 56.607 86.5362 in (null):I-9999 (6) and NZ(69) at 5.32458 58.1329 87.4697 in (null):K-9999 (9) other bump:2.56483 Ang O(0) at 6.256 46.281 91.372 in (null):G-9999 (0) and CD1(26) at 8.81399 46.3385 91.5502 in (null):I-9999 (3) T0136 81 :DVRDVIAKIVDWGDYLEVKA 1qpaA 150 :TIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.90382 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.81001 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CH2(99) at 11.5433 49.9476 85.6251 in (null):W-9999 (12) other bump:2.42855 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.3504 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:1.44956 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.79959 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CZ2(97) at 11.703 49.8581 86.9855 in (null):W-9999 (12) other bump:2.259 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.75245 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:1.91549 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and NE1(96) at 13.2839 49.0101 88.7476 in (null):W-9999 (12) other bump:2.662 Ang CG(59) at 13.027 51.8825 87.2022 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.25163 Ang CD(60) at 12.8236 51.2125 88.5457 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:1.56826 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.56981 Ang NZ(62) at 11.6936 49.3897 89.7456 in (null):K-9999 (8) and CE2(94) at 12.866 49.2383 87.4638 in (null):W-9999 (12) other bump:2.97427 Ang CE(61) at 11.8999 50.031 88.4112 in (null):K-9999 (8) and CD2(93) at 13.8545 48.7135 86.5974 in (null):W-9999 (12) Number of specific fragments= 4 total=311 Number of alignments=82 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-local-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-local-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 1 total=312 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-local-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-local-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 55 :FVNPNNDVSPNTELRDIVPIDG 1qpaA 127 :QFFLGRPEATQAAPDGLVPEPF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.56483 Ang O(109) at 6.256 46.281 91.372 in (null):L-9999 (14) and CD1(135) at 8.81399 46.3385 91.5502 in (null):I-9999 (17) other bump:3.2194 Ang CD(98) at 8.38068 44.3769 88.8617 in (null):E-9999 (13) and CG2(134) at 10.1324 47.0769 88.7845 in (null):I-9999 (17) other bump:2.1332 Ang OE2(100) at 9.42286 45.0652 88.798 in (null):E-9999 (13) and CG2(134) at 10.1324 47.0769 88.7845 in (null):I-9999 (17) neighbor-bump: 1.72942 Ang O(33) at 18.299 28.323 80.621 in (null):P-9999 (4) and ND2(39) at 19.5968 27.5298 81.4441 in (null):N-9999 (5) neighbor-bump: 1.83737 Ang O(33) at 18.299 28.323 80.621 in (null):P-9999 (4) and CG(38) at 18.4904 27.3033 82.1374 in (null):N-9999 (5) neighbor-bump: 2.64456 Ang C(34) at 17.188 28.768 80.362 in (null):P-9999 (4) and CG(38) at 18.4904 27.3033 82.1374 in (null):N-9999 (5) neighbor-bump: 2.2464 Ang O(33) at 18.299 28.323 80.621 in (null):P-9999 (4) and CB(37) at 17.8666 28.5069 82.8177 in (null):N-9999 (5) neighbor-bump: 2.56109 Ang C(34) at 17.188 28.768 80.362 in (null):P-9999 (4) and CB(37) at 17.8666 28.5069 82.8177 in (null):N-9999 (5) T0136 80 :YDVRDVIAKIVDWGDYLEVKA 1qpaA 149 :HTIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.90382 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.81001 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.42855 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.3504 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:1.44956 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.79959 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.259 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.75245 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.91549 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:2.662 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.25163 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:1.56826 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.56981 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.97427 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CD2(105) at 13.8545 48.7135 86.5974 in (null):W-9999 (13) Number of specific fragments= 2 total=314 Number of alignments=83 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-simpleSW-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 82 :VRDVIAKIVDWGDYLEVK 1qpaA 151 :IDQVLARMLDAGGFDEIE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 1 total=315 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-simpleSW-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set Number of specific fragments= 0 total=315 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-vit-adpstyle1.pw.a2m.gz # 1qpaA read from T0136-1qpaA-vit-adpstyle1.pw.a2m.gz # found chain 1qpaA in template set T0136 82 :VRDVIAKIVDWGDYLEVKA 1qpaA 151 :IDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.90382 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.81001 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CH2(91) at 11.5433 49.9476 85.6251 in (null):W-9999 (11) other bump:2.42855 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.3504 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:1.44956 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.79959 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CZ2(89) at 11.703 49.8581 86.9855 in (null):W-9999 (11) other bump:2.259 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.75245 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:1.91549 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and NE1(88) at 13.2839 49.0101 88.7476 in (null):W-9999 (11) other bump:2.662 Ang CG(51) at 13.027 51.8825 87.2022 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.25163 Ang CD(52) at 12.8236 51.2125 88.5457 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:1.56826 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.56981 Ang NZ(54) at 11.6936 49.3897 89.7456 in (null):K-9999 (7) and CE2(86) at 12.866 49.2383 87.4638 in (null):W-9999 (11) other bump:2.97427 Ang CE(53) at 11.8999 50.031 88.4112 in (null):K-9999 (7) and CD2(85) at 13.8545 48.7135 86.5974 in (null):W-9999 (11) Number of specific fragments= 1 total=316 # Reading fragments from alignment file # T0136 read from T0136-1qpaA-vit-adpstyle5.pw.a2m.gz # 1qpaA read from T0136-1qpaA-vit-adpstyle5.pw.a2m.gz # found chain 1qpaA in template set T0136 55 :FVNPNNDVSPNTELRDIVPIDG 1qpaA 127 :QFFLGRPEATQAAPDGLVPEPF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.56483 Ang O(109) at 6.256 46.281 91.372 in (null):L-9999 (14) and CD1(135) at 8.81399 46.3385 91.5502 in (null):I-9999 (17) other bump:3.2194 Ang CD(98) at 8.38068 44.3769 88.8617 in (null):E-9999 (13) and CG2(134) at 10.1324 47.0769 88.7845 in (null):I-9999 (17) other bump:2.1332 Ang OE2(100) at 9.42286 45.0652 88.798 in (null):E-9999 (13) and CG2(134) at 10.1324 47.0769 88.7845 in (null):I-9999 (17) neighbor-bump: 1.72942 Ang O(33) at 18.299 28.323 80.621 in (null):P-9999 (4) and ND2(39) at 19.5968 27.5298 81.4441 in (null):N-9999 (5) neighbor-bump: 1.83737 Ang O(33) at 18.299 28.323 80.621 in (null):P-9999 (4) and CG(38) at 18.4904 27.3033 82.1374 in (null):N-9999 (5) neighbor-bump: 2.64456 Ang C(34) at 17.188 28.768 80.362 in (null):P-9999 (4) and CG(38) at 18.4904 27.3033 82.1374 in (null):N-9999 (5) neighbor-bump: 2.2464 Ang O(33) at 18.299 28.323 80.621 in (null):P-9999 (4) and CB(37) at 17.8666 28.5069 82.8177 in (null):N-9999 (5) neighbor-bump: 2.56109 Ang C(34) at 17.188 28.768 80.362 in (null):P-9999 (4) and CB(37) at 17.8666 28.5069 82.8177 in (null):N-9999 (5) T0136 80 :YDVRDVIAKIVDWGDYLEVKA 1qpaA 149 :HTIDQVLARMLDAGGFDEIET Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.90382 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.81001 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CH2(111) at 11.5433 49.9476 85.6251 in (null):W-9999 (13) other bump:2.42855 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.3504 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:1.44956 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.79959 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CZ2(109) at 11.703 49.8581 86.9855 in (null):W-9999 (13) other bump:2.259 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.75245 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:1.91549 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and NE1(108) at 13.2839 49.0101 88.7476 in (null):W-9999 (13) other bump:2.662 Ang CG(71) at 13.027 51.8825 87.2022 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.25163 Ang CD(72) at 12.8236 51.2125 88.5457 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:1.56826 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.56981 Ang NZ(74) at 11.6936 49.3897 89.7456 in (null):K-9999 (9) and CE2(106) at 12.866 49.2383 87.4638 in (null):W-9999 (13) other bump:2.97427 Ang CE(73) at 11.8999 50.031 88.4112 in (null):K-9999 (9) and CD2(105) at 13.8545 48.7135 86.5974 in (null):W-9999 (13) Number of specific fragments= 2 total=318 Number of alignments=84 # command:# Prefix for input files set to 1fchA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1fchA-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1fchA read from 1fchA-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 13 :GAEAHMAISGNIHFVAEDDDAAELIAKKLLS 1fchA 365 :NQTALMALAVSFTNESLQRQACEILRDWLRY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.12388 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.91505 Ang SD(39) at 56.804 53.788 23.252 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.14705 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.88175 Ang CA(36) at 54.017 55.455 23.349 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.30303 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.79432 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.6152 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CD(201) at 57.0944 57.0904 24.8075 in (null):K-9999 (28) other bump:2.03159 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CD2(172) at 51.7521 59.6184 18.1961 in (null):L-9999 (24) other bump:2.99758 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CG(170) at 52.7109 60.7008 18.67 in (null):L-9999 (24) other bump:2.40598 Ang CG2(78) at 52.7358 56.8093 12.8496 in (null):I-9999 (12) and O(122) at 54.493 57.037 11.222 in (null):E-9999 (17) other bump:2.36245 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:2.84345 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:1.95005 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) other bump:2.80762 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) T0136 47 :QNNTEEASFVNPNNDVSPNTELRDIVPID 1fchA 446 :PTSIDPDVQCGLGVLFNLSGEYDKAVDCF Fragment has 56 clashes (null) has 56 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.23939 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and OD1(225) at 60.4741 45.5689 21.9908 in (null):D-9999 (29) other bump:2.78782 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and CG(224) at 60.6872 44.4364 21.4987 in (null):D-9999 (29) other bump:3.02428 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and N(221) at 63.383 44.561 22.803 in (null):D-9999 (29) other bump:2.10773 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and N(221) at 63.383 44.561 22.803 in (null):D-9999 (29) other bump:3.08898 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and C(220) at 64.152 45.436 23.447 in (null):I-9999 (28) other bump:2.25381 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and C(220) at 64.152 45.436 23.447 in (null):I-9999 (28) other bump:2.42584 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CD1(218) at 65.5951 48.5899 19.7466 in (null):I-9999 (28) other bump:2.06601 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.28748 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.15394 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:1.83486 Ang O(72) at 62.899 49.646 22.827 in (null):F-9999 (9) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.63712 Ang C(73) at 62.658 49.877 24.005 in (null):F-9999 (9) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:3.09834 Ang N(96) at 62.872 49.999 20.166 in (null):N-9999 (13) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:3.18262 Ang CA(64) at 63.793 50.079 24.996 in (null):F-9999 (9) and CG2(217) at 63.9444 48.1885 22.4402 in (null):I-9999 (28) other bump:2.06559 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CG1(216) at 65.9809 47.7846 20.968 in (null):I-9999 (28) other bump:1.94577 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and CB(215) at 64.7885 47.1501 21.6892 in (null):I-9999 (28) other bump:2.41894 Ang ND2(100) at 62.5456 46.3958 22.1909 in (null):N-9999 (13) and CB(215) at 64.7885 47.1501 21.6892 in (null):I-9999 (28) other bump:1.20669 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CB(215) at 64.7885 47.1501 21.6892 in (null):I-9999 (28) other bump:3.01077 Ang CG(99) at 62.9491 47.0027 21.0721 in (null):N-9999 (13) and CA(214) at 65.316 46.036 22.662 in (null):I-9999 (28) other bump:2.45265 Ang OD1(101) at 64.1233 46.9191 20.7093 in (null):N-9999 (13) and CA(214) at 65.316 46.036 22.662 in (null):I-9999 (28) other bump:1.89701 Ang O(181) at 67.865 42.495 17.366 in (null):R-9999 (23) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:2.99013 Ang C(182) at 67.973 43.006 16.246 in (null):R-9999 (23) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:3.23315 Ang CA(184) at 68.434 45.155 17.258 in (null):D-9999 (24) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:2.84018 Ang C(190) at 67.096 45.362 17.954 in (null):D-9999 (24) and CD(210) at 67.2953 42.7939 19.1506 in (null):P-9999 (27) other bump:2.46127 Ang O(181) at 67.865 42.495 17.366 in (null):R-9999 (23) and CG(209) at 68.7273 42.7897 19.6524 in (null):P-9999 (27) other bump:2.9958 Ang CA(121) at 64.33 49.771 14.774 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.23789 Ang O(125) at 63.917 48.385 12.852 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.04529 Ang C(126) at 63.433 48.96 13.832 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.15553 Ang N(127) at 62.136 48.908 14.125 in (null):S-9999 (17) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.59031 Ang CA(128) at 61.187 48.212 13.248 in (null):S-9999 (17) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.59867 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.91181 Ang CB(122) at 64.9363 48.7948 15.9427 in (null):V-9999 (16) and CD1(196) at 63.1487 47.0355 14.4634 in (null):I-9999 (25) other bump:2.9851 Ang CA(121) at 64.33 49.771 14.774 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:2.81088 Ang C(126) at 63.433 48.96 13.832 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:3.0906 Ang N(127) at 62.136 48.908 14.125 in (null):S-9999 (17) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:1.78279 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:2.08017 Ang CB(122) at 64.9363 48.7948 15.9427 in (null):V-9999 (16) and CG1(194) at 63.9066 46.9942 15.7846 in (null):I-9999 (25) other bump:2.92979 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CB(193) at 63.6401 45.6904 16.5751 in (null):I-9999 (25) other bump:3.2313 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and CA(192) at 64.678 45.576 17.751 in (null):I-9999 (25) other bump:3.05068 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and C(163) at 66.226 45.793 12.933 in (null):E-9999 (21) other bump:2.08081 Ang CG1(123) at 65.543 47.5423 15.3372 in (null):V-9999 (16) and O(162) at 66.316 46.019 14.149 in (null):E-9999 (21) other bump:1.75699 Ang O(110) at 60.302 51.133 15.281 in (null):N-9999 (14) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.91051 Ang C(111) at 60.536 51.371 16.463 in (null):N-9999 (14) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.83833 Ang C(119) at 63.075 51.845 14.946 in (null):D-9999 (15) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) neighbor-bump: 2.56391 Ang N(127) at 62.136 48.908 14.125 in (null):S-9999 (17) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.6141 Ang O(118) at 63.132 52.025 13.723 in (null):D-9999 (15) and CD(137) at 60.7366 50.9874 13.5849 in (null):P-9999 (18) other bump:2.34228 Ang O(110) at 60.302 51.133 15.281 in (null):N-9999 (14) and CG(136) at 60.0865 52.3229 13.275 in (null):P-9999 (18) other bump:3.1051 Ang C(73) at 62.658 49.877 24.005 in (null):F-9999 (9) and CD(93) at 63.2311 52.654 22.7395 in (null):P-9999 (12) other bump:1.52681 Ang O(61) at 63.54 52.702 24.234 in (null):S-9999 (8) and CD(93) at 63.2311 52.654 22.7395 in (null):P-9999 (12) other bump:2.68936 Ang C(62) at 63.372 52.432 25.416 in (null):S-9999 (8) and CD(93) at 63.2311 52.654 22.7395 in (null):P-9999 (12) other bump:2.01429 Ang O(61) at 63.54 52.702 24.234 in (null):S-9999 (8) and CG(92) at 64.7396 52.7622 22.617 in (null):P-9999 (12) other bump:3.13268 Ang C(62) at 63.372 52.432 25.416 in (null):S-9999 (8) and CG(92) at 64.7396 52.7622 22.617 in (null):P-9999 (12) other bump:2.4279 Ang CG2(30) at 66.3828 47.6301 29.8673 in (null):T-9999 (4) and CZ(71) at 67.6592 48.9078 28.2447 in (null):F-9999 (9) other bump:2.79879 Ang CB(29) at 67.1899 47.6098 31.1559 in (null):T-9999 (4) and CE2(70) at 66.7245 47.8968 28.411 in (null):F-9999 (9) other bump:1.5194 Ang CG2(30) at 66.3828 47.6301 29.8673 in (null):T-9999 (4) and CE2(70) at 66.7245 47.8968 28.411 in (null):F-9999 (9) other bump:2.3941 Ang CG2(30) at 66.3828 47.6301 29.8673 in (null):T-9999 (4) and CD2(68) at 65.5734 47.8779 27.6278 in (null):F-9999 (9) T0136 76 :GKKG 1fchA 489 :NKLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 80 :YDVRDVIAKIVDWGDYLEVKAGYATN 1fchA 568 :STLRLALSMLGQSDAYGAADARDLST Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.66512 Ang CE2(187) at 26.6878 30.9919 8.8164 in (null):Y-9999 (23) and ND2(208) at 27.0927 30.4605 7.29117 in (null):N-9999 (26) other bump:2.97085 Ang CZ(188) at 25.8273 31.519 9.76188 in (null):Y-9999 (23) and ND2(208) at 27.0927 30.4605 7.29117 in (null):N-9999 (26) other bump:1.60769 Ang CD2(185) at 27.4433 31.8495 8.02097 in (null):Y-9999 (23) and ND2(208) at 27.0927 30.4605 7.29117 in (null):N-9999 (26) other bump:2.57044 Ang CE2(187) at 26.6878 30.9919 8.8164 in (null):Y-9999 (23) and CG(207) at 27.6862 29.2819 7.17741 in (null):N-9999 (26) other bump:2.71346 Ang CD2(185) at 27.4433 31.8495 8.02097 in (null):Y-9999 (23) and CG(207) at 27.6862 29.2819 7.17741 in (null):N-9999 (26) other bump:2.8706 Ang OE1(151) at 28.96 28.6438 4.44876 in (null):E-9999 (18) and CB(206) at 29.1953 29.2789 7.23831 in (null):N-9999 (26) other bump:2.81917 Ang CD(150) at 29.9664 29.397 4.52923 in (null):E-9999 (18) and CB(206) at 29.1953 29.2789 7.23831 in (null):N-9999 (26) other bump:3.12478 Ang CE2(187) at 26.6878 30.9919 8.8164 in (null):Y-9999 (23) and N(204) at 29.464 29.817 9.639 in (null):N-9999 (26) other bump:3.36856 Ang NE(34) at 37.183 35.961 -0.371 in (null):R-9999 (4) and NZ(168) at 35.2195 37.0925 -2.86326 in (null):K-9999 (20) other bump:2.51101 Ang CD1(60) at 38.2275 32.5803 4.25552 in (null):I-9999 (7) and CG2(159) at 35.932 33.5881 4.39677 in (null):V-9999 (19) neighbor-bump: 2.06706 Ang O(83) at 44.142 26.027 -0.608 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) neighbor-bump: 2.42672 Ang C(84) at 43.99 27.212 -0.315 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) Number of specific fragments= 4 total=322 Number of alignments=85 # Reading fragments from alignment file # T0136 read from 1fchA-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1fchA read from 1fchA-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 1 :VTGED 1fchA 280 :SATYD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.8314 Ang C(6) at 44.681 62.116 6.891 in (null):V-9999 (0) and OD2(32) at 44.235 63.946 9.005 in (null):D-9999 (4) neighbor-bump: 2.63931 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and OG1(11) at 41.5697 62.4972 4.49301 in (null):T-9999 (1) neighbor-bump: 2.89815 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and CA(8) at 42.251 62.054 6.827 in (null):T-9999 (1) neighbor-bump: 2.43384 Ang CB(2) at 45.5775 62.3956 4.88227 in (null):V-9999 (0) and N(7) at 43.549 62.303 6.224 in (null):T-9999 (1) neighbor-bump: 1.7316 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and N(7) at 43.549 62.303 6.224 in (null):T-9999 (1) self-bump: 2.2174 Ang CB(2) at 45.5775 62.3956 4.88227 in (null):V-9999 (0) and C(6) at 44.681 62.116 6.891 in (null):V-9999 (0) self-bump: 2.32128 Ang CG1(3) at 44.1475 61.9497 4.63799 in (null):V-9999 (0) and C(6) at 44.681 62.116 6.891 in (null):V-9999 (0) self-bump: 1.29703 Ang CA(1) at 45.957 62.432 6.122 in (null):V-9999 (0) and CB(2) at 45.5775 62.3956 4.88227 in (null):V-9999 (0) T0136 6 :VTA 1fchA 324 :AVQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 9 :DELG 1fchA 336 :QYLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 13 :GAEAHMAISGNIHFVAEDDDAAELIAKKLLS 1fchA 365 :NQTALMALAVSFTNESLQRQACEILRDWLRY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.12388 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.91505 Ang SD(39) at 56.804 53.788 23.252 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.14705 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and NZ(203) at 56.2076 55.0213 25.8251 in (null):K-9999 (28) other bump:2.88175 Ang CA(36) at 54.017 55.455 23.349 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.30303 Ang CB(37) at 54.529 54.689 24.567 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.79432 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CE(202) at 55.8675 56.3919 25.3496 in (null):K-9999 (28) other bump:2.6152 Ang CE(40) at 57.831 54.602 24.484 in (null):M-9999 (6) and CD(201) at 57.0944 57.0904 24.8075 in (null):K-9999 (28) other bump:2.03159 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CD2(172) at 51.7521 59.6184 18.1961 in (null):L-9999 (24) other bump:2.99758 Ang CG2(52) at 50.9512 58.4991 19.6905 in (null):I-9999 (8) and CG(170) at 52.7109 60.7008 18.67 in (null):L-9999 (24) other bump:2.40598 Ang CG2(78) at 52.7358 56.8093 12.8496 in (null):I-9999 (12) and O(122) at 54.493 57.037 11.222 in (null):E-9999 (17) other bump:2.36245 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:2.84345 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CE2(99) at 52.1271 48.9634 16.9316 in (null):F-9999 (14) other bump:1.95005 Ang O(64) at 52.292 51.115 15.97 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) other bump:2.80762 Ang C(65) at 52.061 51.806 16.954 in (null):G-9999 (10) and CD2(97) at 51.5271 49.3378 15.727 in (null):F-9999 (14) T0136 45 :LPQNNTEEASFVNPNNDVSPNTELRDIVPID 1fchA 444 :LDPTSIDPDVQCGLGVLFNLSGEYDKAVDCF Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.23939 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and OD1(240) at 60.4741 45.5689 21.9908 in (null):D-9999 (31) other bump:2.78782 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and CG(239) at 60.6872 44.4364 21.4987 in (null):D-9999 (31) other bump:3.02428 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and N(236) at 63.383 44.561 22.803 in (null):D-9999 (31) other bump:2.10773 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and N(236) at 63.383 44.561 22.803 in (null):D-9999 (31) other bump:3.08898 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and C(235) at 64.152 45.436 23.447 in (null):I-9999 (30) other bump:2.25381 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and C(235) at 64.152 45.436 23.447 in (null):I-9999 (30) other bump:2.42584 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CD1(233) at 65.5951 48.5899 19.7466 in (null):I-9999 (30) other bump:2.06601 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.28748 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.15394 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:1.83486 Ang O(87) at 62.899 49.646 22.827 in (null):F-9999 (11) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.63712 Ang C(88) at 62.658 49.877 24.005 in (null):F-9999 (11) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:3.09834 Ang N(111) at 62.872 49.999 20.166 in (null):N-9999 (15) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:3.18262 Ang CA(79) at 63.793 50.079 24.996 in (null):F-9999 (11) and CG2(232) at 63.9444 48.1885 22.4402 in (null):I-9999 (30) other bump:2.06559 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CG1(231) at 65.9809 47.7846 20.968 in (null):I-9999 (30) other bump:1.94577 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and CB(230) at 64.7885 47.1501 21.6892 in (null):I-9999 (30) other bump:2.41894 Ang ND2(115) at 62.5456 46.3958 22.1909 in (null):N-9999 (15) and CB(230) at 64.7885 47.1501 21.6892 in (null):I-9999 (30) other bump:1.20669 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CB(230) at 64.7885 47.1501 21.6892 in (null):I-9999 (30) other bump:3.01077 Ang CG(114) at 62.9491 47.0027 21.0721 in (null):N-9999 (15) and CA(229) at 65.316 46.036 22.662 in (null):I-9999 (30) other bump:2.45265 Ang OD1(116) at 64.1233 46.9191 20.7093 in (null):N-9999 (15) and CA(229) at 65.316 46.036 22.662 in (null):I-9999 (30) other bump:1.89701 Ang O(196) at 67.865 42.495 17.366 in (null):R-9999 (25) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:2.99013 Ang C(197) at 67.973 43.006 16.246 in (null):R-9999 (25) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:3.23315 Ang CA(199) at 68.434 45.155 17.258 in (null):D-9999 (26) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:2.84018 Ang C(205) at 67.096 45.362 17.954 in (null):D-9999 (26) and CD(225) at 67.2953 42.7939 19.1506 in (null):P-9999 (29) other bump:2.46127 Ang O(196) at 67.865 42.495 17.366 in (null):R-9999 (25) and CG(224) at 68.7273 42.7897 19.6524 in (null):P-9999 (29) other bump:2.9958 Ang CA(136) at 64.33 49.771 14.774 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.23789 Ang O(140) at 63.917 48.385 12.852 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.04529 Ang C(141) at 63.433 48.96 13.832 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.15553 Ang N(142) at 62.136 48.908 14.125 in (null):S-9999 (19) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.59031 Ang CA(143) at 61.187 48.212 13.248 in (null):S-9999 (19) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.91181 Ang CB(137) at 64.9363 48.7948 15.9427 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.59867 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CD1(211) at 63.1487 47.0355 14.4634 in (null):I-9999 (27) other bump:2.9851 Ang CA(136) at 64.33 49.771 14.774 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:2.81088 Ang C(141) at 63.433 48.96 13.832 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:3.0906 Ang N(142) at 62.136 48.908 14.125 in (null):S-9999 (19) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:2.08017 Ang CB(137) at 64.9363 48.7948 15.9427 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:1.78279 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CG1(209) at 63.9066 46.9942 15.7846 in (null):I-9999 (27) other bump:2.92979 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CB(208) at 63.6401 45.6904 16.5751 in (null):I-9999 (27) other bump:3.2313 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and CA(207) at 64.678 45.576 17.751 in (null):I-9999 (27) other bump:3.05068 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and C(178) at 66.226 45.793 12.933 in (null):E-9999 (23) other bump:2.08081 Ang CG1(138) at 65.543 47.5423 15.3372 in (null):V-9999 (18) and O(177) at 66.316 46.019 14.149 in (null):E-9999 (23) other bump:1.75699 Ang O(125) at 60.302 51.133 15.281 in (null):N-9999 (16) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.91051 Ang C(126) at 60.536 51.371 16.463 in (null):N-9999 (16) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.6141 Ang O(133) at 63.132 52.025 13.723 in (null):D-9999 (17) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.83833 Ang C(134) at 63.075 51.845 14.946 in (null):D-9999 (17) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) neighbor-bump: 2.56391 Ang N(142) at 62.136 48.908 14.125 in (null):S-9999 (19) and CD(152) at 60.7366 50.9874 13.5849 in (null):P-9999 (20) other bump:2.34228 Ang O(125) at 60.302 51.133 15.281 in (null):N-9999 (16) and CG(151) at 60.0865 52.3229 13.275 in (null):P-9999 (20) other bump:3.1051 Ang C(88) at 62.658 49.877 24.005 in (null):F-9999 (11) and CD(108) at 63.2311 52.654 22.7395 in (null):P-9999 (14) other bump:1.52681 Ang O(76) at 63.54 52.702 24.234 in (null):S-9999 (10) and CD(108) at 63.2311 52.654 22.7395 in (null):P-9999 (14) other bump:2.68936 Ang C(77) at 63.372 52.432 25.416 in (null):S-9999 (10) and CD(108) at 63.2311 52.654 22.7395 in (null):P-9999 (14) other bump:2.01429 Ang O(76) at 63.54 52.702 24.234 in (null):S-9999 (10) and CG(107) at 64.7396 52.7622 22.617 in (null):P-9999 (14) other bump:3.13268 Ang C(77) at 63.372 52.432 25.416 in (null):S-9999 (10) and CG(107) at 64.7396 52.7622 22.617 in (null):P-9999 (14) other bump:2.4279 Ang CG2(45) at 66.3828 47.6301 29.8673 in (null):T-9999 (6) and CZ(86) at 67.6592 48.9078 28.2447 in (null):F-9999 (11) other bump:2.79879 Ang CB(44) at 67.1899 47.6098 31.1559 in (null):T-9999 (6) and CE2(85) at 66.7245 47.8968 28.411 in (null):F-9999 (11) other bump:1.5194 Ang CG2(45) at 66.3828 47.6301 29.8673 in (null):T-9999 (6) and CE2(85) at 66.7245 47.8968 28.411 in (null):F-9999 (11) other bump:2.3941 Ang CG2(45) at 66.3828 47.6301 29.8673 in (null):T-9999 (6) and CD2(83) at 65.5734 47.8779 27.6278 in (null):F-9999 (11) neighbor-bump: 2.51858 Ang CB(4) at 71.09 58.449 30.12 in (null):L-9999 (1) and CD(14) at 70.9839 56.6776 31.9072 in (null):P-9999 (2) neighbor-bump: 2.52617 Ang CD2(7) at 70.734 59.12 32.502 in (null):L-9999 (1) and CD(14) at 70.9839 56.6776 31.9072 in (null):P-9999 (2) neighbor-bump: 2.03042 Ang C(9) at 72.87 57.129 31.306 in (null):L-9999 (1) and CD(14) at 70.9839 56.6776 31.9072 in (null):P-9999 (2) neighbor-bump: 2.44173 Ang CD2(7) at 70.734 59.12 32.502 in (null):L-9999 (1) and CG(13) at 71.2985 56.9044 33.3591 in (null):P-9999 (2) neighbor-bump: 2.59524 Ang C(9) at 72.87 57.129 31.306 in (null):L-9999 (1) and CG(13) at 71.2985 56.9044 33.3591 in (null):P-9999 (2) T0136 76 :GKKG 1fchA 489 :NKLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 80 :YDVRDVIAKIVDWGDYLEVKAGYA 1fchA 568 :STLRLALSMLGQSDAYGAADARDL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.36856 Ang NE(34) at 37.183 35.961 -0.371 in (null):R-9999 (4) and NZ(168) at 35.2195 37.0925 -2.86326 in (null):K-9999 (20) other bump:2.51101 Ang CD1(60) at 38.2275 32.5803 4.25552 in (null):I-9999 (7) and CG2(159) at 35.932 33.5881 4.39677 in (null):V-9999 (19) neighbor-bump: 2.06706 Ang O(83) at 44.142 26.027 -0.608 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) neighbor-bump: 2.42672 Ang C(84) at 43.99 27.212 -0.315 in (null):I-9999 (10) and CB(87) at 43.7469 26.4248 -2.59758 in (null):V-9999 (11) Number of specific fragments= 7 total=329 Number of alignments=86 # Reading fragments from alignment file # T0136 read from 1fchA-T0136-local-adpstyle1.pw.a2m.gz # 1fchA read from 1fchA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 22 :GNIHFVAEDDDAAELIAKKLLSFLPQN 1fchA 305 :GLRRLQEGDLPNAVLLFEAAVQQDPKH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.11586 Ang N(2) at 34.899 48.903 33.042 in (null):G-9999 (1) and CG2(119) at 33.0101 50.3093 31.0017 in (null):I-9999 (16) Number of specific fragments= 1 total=330 Number of alignments=87 # Reading fragments from alignment file # T0136 read from 1fchA-T0136-local-adpstyle5.pw.a2m.gz # 1fchA read from 1fchA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 21 :SGNIHFVAEDDDAAELIAKKLLSFLPQ 1fchA 304 :EGLRRLQEGDLPNAVLLFEAAVQQDPK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.11586 Ang N(8) at 34.899 48.903 33.042 in (null):G-9999 (2) and CG2(125) at 33.0101 50.3093 31.0017 in (null):I-9999 (17) Number of specific fragments= 1 total=331 Number of alignments=88 # Reading fragments from alignment file # T0136 read from 1fchA-T0136-vit-adpstyle1.pw.a2m.gz # 1fchA read from 1fchA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 22 :GNIHFVAEDDDAAELIAKKLLSFLPQN 1fchA 305 :GLRRLQEGDLPNAVLLFEAAVQQDPKH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.11586 Ang N(2) at 34.899 48.903 33.042 in (null):G-9999 (1) and CG2(119) at 33.0101 50.3093 31.0017 in (null):I-9999 (16) Number of specific fragments= 1 total=332 Number of alignments=89 # Reading fragments from alignment file # T0136 read from 1fchA-T0136-vit-adpstyle5.pw.a2m.gz # 1fchA read from 1fchA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 21 :SGNIHFVAEDDDAAELIAKKLLSFLPQ 1fchA 304 :EGLRRLQEGDLPNAVLLFEAAVQQDPK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.11586 Ang N(8) at 34.899 48.903 33.042 in (null):G-9999 (2) and CG2(125) at 33.0101 50.3093 31.0017 in (null):I-9999 (17) Number of specific fragments= 1 total=333 Number of alignments=90 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDIVPI 1fchA 297 :DHPQPFEEGLRRLQEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 3.00577 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CG1(122) at 42.4006 38.0045 30.7147 in (null):I-9999 (16) neighbor-bump: 2.15751 Ang O(117) at 39.492 38.203 31.262 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) neighbor-bump: 2.49343 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) T0136 81 :DVRDVIAK 1fchA 313 :DLPNAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=337 Number of alignments=91 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDIVPI 1fchA 297 :DHPQPFEEGLRRLQEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 3.00577 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CG1(122) at 42.4006 38.0045 30.7147 in (null):I-9999 (16) neighbor-bump: 2.15751 Ang O(117) at 39.492 38.203 31.262 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) neighbor-bump: 2.49343 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) T0136 81 :DVRDVIAK 1fchA 313 :DLPNAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=341 Number of alignments=92 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=343 Number of alignments=93 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=345 Number of alignments=94 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDI 1fchA 297 :DHPQPFEEGLRRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0136 78 :KGYDVRDVIAK 1fchA 310 :QEGDLPNAVLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.14519 Ang O(13) at 39.492 38.203 31.262 in (null):G-9999 (2) and CB(17) at 41.0943 38.0066 29.8493 in (null):Y-9999 (3) neighbor-bump: 2.49171 Ang C(14) at 39.841 39.353 31.53 in (null):G-9999 (2) and CB(17) at 41.0943 38.0066 29.8493 in (null):Y-9999 (3) T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=349 Number of alignments=95 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDIV 1fchA 297 :DHPQPFEEGLRRLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0136 79 :GYDVRDVIAK 1fchA 311 :EGDLPNAVLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.14519 Ang O(4) at 39.492 38.203 31.262 in (null):G-9999 (1) and CB(8) at 41.0943 38.0066 29.8493 in (null):Y-9999 (2) neighbor-bump: 2.49171 Ang C(5) at 39.841 39.353 31.53 in (null):G-9999 (1) and CB(8) at 41.0943 38.0066 29.8493 in (null):Y-9999 (2) T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=353 Number of alignments=96 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=355 Number of alignments=97 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=357 Number of alignments=98 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDIVPI 1fchA 297 :DHPQPFEEGLRRLQEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 3.00577 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CG1(122) at 42.4006 38.0045 30.7147 in (null):I-9999 (16) neighbor-bump: 2.15751 Ang O(117) at 39.492 38.203 31.262 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) neighbor-bump: 2.49343 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) T0136 81 :DVRDVIAK 1fchA 313 :DLPNAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=361 Number of alignments=99 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 47 :QNNTEEASFVNP 1fchA 281 :ATYDKGYQFEEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0136 59 :NNDVSPNTELRDIVPI 1fchA 297 :DHPQPFEEGLRRLQEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 3.00577 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CG1(122) at 42.4006 38.0045 30.7147 in (null):I-9999 (16) neighbor-bump: 2.15751 Ang O(117) at 39.492 38.203 31.262 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) neighbor-bump: 2.49343 Ang C(118) at 39.841 39.353 31.53 in (null):P-9999 (15) and CB(121) at 41.1151 38.0188 29.8525 in (null):I-9999 (16) T0136 81 :DVRDVIAK 1fchA 313 :DLPNAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 89 :IVDWGDYLEVKAGYA 1fchA 585 :AADARDLSTLLTMFG Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.59487 Ang C(116) at 37.32 23.516 10.787 in (null):Y-9999 (14) and CB(119) at 37.5637 21.1071 11.7204 in (null):A-9999 (15) other bump:2.35612 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:1.68983 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.86181 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and NZ(93) at 32.5182 32.116 16.3792 in (null):K-9999 (11) other bump:2.08105 Ang CD2(56) at 32.5368 33.0129 14.2006 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:0.901674 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:1.72822 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.27933 Ang OH(60) at 35.7716 31.9555 15.5654 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.94768 Ang CE1(57) at 35.2392 33.2788 13.6463 in (null):Y-9999 (7) and CE(92) at 33.529 31.6011 15.3638 in (null):K-9999 (11) other bump:2.30107 Ang CE2(58) at 33.4848 32.438 15.0311 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.95892 Ang CZ(59) at 34.8295 32.5605 14.7513 in (null):Y-9999 (7) and CD(91) at 33.1018 30.1695 14.9829 in (null):K-9999 (11) other bump:2.05787 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.88937 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE2(77) at 29.5383 28.7949 3.64152 in (null):E-9999 (9) other bump:2.22332 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.56548 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OE1(76) at 27.9497 29.8136 4.75068 in (null):E-9999 (9) other bump:1.98314 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.22383 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and CD(75) at 28.9986 29.1412 4.72751 in (null):E-9999 (9) other bump:2.93786 Ang CG1(5) at 29.7911 30.806 3.99729 in (null):I-9999 (1) and CG(74) at 29.6606 28.6724 6.01268 in (null):E-9999 (9) other bump:2.67514 Ang CG2(6) at 31.2527 31.7788 5.79303 in (null):I-9999 (1) and O(49) at 30.828 32.763 8.244 in (null):D-9999 (6) other bump:2.44949 Ang CD1(7) at 28.4447 31.2912 4.60112 in (null):I-9999 (1) and OD2(48) at 27.305 31.89 6.685 in (null):D-9999 (6) Number of specific fragments= 4 total=365 Number of alignments=100 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=367 Number of alignments=101 # Reading fragments from alignment file # T0136 read from T0136-1fchA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 31 :DDAAELIAKKLLSFLPQNNTEE 1fchA 382 :QRQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.87051 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.41655 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.72586 Ang CB(86) at 62.15 61.502 24.47 in (null):L-9999 (12) and OE2(171) at 61.6704 63.9458 23.3618 in (null):E-9999 (22) other bump:2.17212 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and OE1(170) at 61.0761 66.0498 23.081 in (null):E-9999 (22) other bump:2.52668 Ang O(65) at 60.049 63.651 22.477 in (null):K-9999 (9) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.87469 Ang N(92) at 60.5 64.039 25.474 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:3.13905 Ang CA(93) at 60.517 65.38 26.039 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:2.81417 Ang CB(94) at 60.144 66.4381 25.0041 in (null):S-9999 (13) and CD(169) at 61.927 65.1576 23.2433 in (null):E-9999 (22) other bump:1.97548 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.36733 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and OD1(146) at 60.9208 65.0669 29.1402 in (null):N-9999 (19) other bump:2.41286 Ang O(96) at 59.785 66.314 28.112 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) other bump:3.24373 Ang C(97) at 59.582 65.48 27.232 in (null):S-9999 (13) and CG(144) at 61.2899 65.9145 29.9553 in (null):N-9999 (19) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=369 Number of alignments=102 # Reading fragments from alignment file # T0136 read from T0136-1fchA-local-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-local-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 33 :AAELIAKKLLSFLPQNNTEE 1fchA 384 :QACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.87051 Ang O(49) at 60.049 63.651 22.477 in (null):K-9999 (7) and OE2(155) at 61.6704 63.9458 23.3618 in (null):E-9999 (20) other bump:2.41655 Ang N(76) at 60.5 64.039 25.474 in (null):S-9999 (11) and OE2(155) at 61.6704 63.9458 23.3618 in (null):E-9999 (20) other bump:2.72586 Ang CB(70) at 62.15 61.502 24.47 in (null):L-9999 (10) and OE2(155) at 61.6704 63.9458 23.3618 in (null):E-9999 (20) other bump:2.17212 Ang CB(78) at 60.144 66.4381 25.0041 in (null):S-9999 (11) and OE1(154) at 61.0761 66.0498 23.081 in (null):E-9999 (20) other bump:2.52668 Ang O(49) at 60.049 63.651 22.477 in (null):K-9999 (7) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:2.87469 Ang N(76) at 60.5 64.039 25.474 in (null):S-9999 (11) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:3.13905 Ang CA(77) at 60.517 65.38 26.039 in (null):S-9999 (11) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:2.81417 Ang CB(78) at 60.144 66.4381 25.0041 in (null):S-9999 (11) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:1.97548 Ang O(80) at 59.785 66.314 28.112 in (null):S-9999 (11) and OD1(130) at 60.9208 65.0669 29.1402 in (null):N-9999 (17) other bump:2.36733 Ang C(81) at 59.582 65.48 27.232 in (null):S-9999 (11) and OD1(130) at 60.9208 65.0669 29.1402 in (null):N-9999 (17) other bump:2.41286 Ang O(80) at 59.785 66.314 28.112 in (null):S-9999 (11) and CG(128) at 61.2899 65.9145 29.9553 in (null):N-9999 (17) other bump:3.24373 Ang C(81) at 59.582 65.48 27.232 in (null):S-9999 (11) and CG(128) at 61.2899 65.9145 29.9553 in (null):N-9999 (17) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=371 Number of alignments=103 # Reading fragments from alignment file # T0136 read from T0136-1fchA-local-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-local-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 32 :DAAELIAKKLLSFLPQNNTEE 1fchA 383 :RQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.87051 Ang O(57) at 60.049 63.651 22.477 in (null):K-9999 (8) and OE2(163) at 61.6704 63.9458 23.3618 in (null):E-9999 (21) other bump:2.41655 Ang N(84) at 60.5 64.039 25.474 in (null):S-9999 (12) and OE2(163) at 61.6704 63.9458 23.3618 in (null):E-9999 (21) other bump:2.72586 Ang CB(78) at 62.15 61.502 24.47 in (null):L-9999 (11) and OE2(163) at 61.6704 63.9458 23.3618 in (null):E-9999 (21) other bump:2.17212 Ang CB(86) at 60.144 66.4381 25.0041 in (null):S-9999 (12) and OE1(162) at 61.0761 66.0498 23.081 in (null):E-9999 (21) other bump:2.52668 Ang O(57) at 60.049 63.651 22.477 in (null):K-9999 (8) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:2.87469 Ang N(84) at 60.5 64.039 25.474 in (null):S-9999 (12) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:3.13905 Ang CA(85) at 60.517 65.38 26.039 in (null):S-9999 (12) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:2.81417 Ang CB(86) at 60.144 66.4381 25.0041 in (null):S-9999 (12) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:1.97548 Ang O(88) at 59.785 66.314 28.112 in (null):S-9999 (12) and OD1(138) at 60.9208 65.0669 29.1402 in (null):N-9999 (18) other bump:2.36733 Ang C(89) at 59.582 65.48 27.232 in (null):S-9999 (12) and OD1(138) at 60.9208 65.0669 29.1402 in (null):N-9999 (18) other bump:2.41286 Ang O(88) at 59.785 66.314 28.112 in (null):S-9999 (12) and CG(136) at 61.2899 65.9145 29.9553 in (null):N-9999 (18) other bump:3.24373 Ang C(89) at 59.582 65.48 27.232 in (null):S-9999 (12) and CG(136) at 61.2899 65.9145 29.9553 in (null):N-9999 (18) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=373 Number of alignments=104 # Reading fragments from alignment file # T0136 read from T0136-1fchA-simpleSW-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 14 :AEAHMA 1fchA 398 :AYAHLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0136 37 :IAKKLLS 1fchA 421 :ILGSLLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.84256 Ang C(1) at 57.229 66.932 -0.346 in (null):G-9999 (0) and CG(18) at 57.2256 65.0406 1.77596 in (null):K-9999 (3) Number of specific fragments= 2 total=375 Number of alignments=105 # Reading fragments from alignment file # T0136 read from T0136-1fchA-simpleSW-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1fchA in template set Number of specific fragments= 0 total=375 # Reading fragments from alignment file # T0136 read from T0136-1fchA-vit-adpstyle1.pw.a2m.gz # 1fchA read from T0136-1fchA-vit-adpstyle1.pw.a2m.gz # found chain 1fchA in template set T0136 33 :AAELIAKKLLSFLPQNNTEE 1fchA 384 :QACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.87051 Ang O(49) at 60.049 63.651 22.477 in (null):K-9999 (7) and OE2(155) at 61.6704 63.9458 23.3618 in (null):E-9999 (20) other bump:2.41655 Ang N(76) at 60.5 64.039 25.474 in (null):S-9999 (11) and OE2(155) at 61.6704 63.9458 23.3618 in (null):E-9999 (20) other bump:2.72586 Ang CB(70) at 62.15 61.502 24.47 in (null):L-9999 (10) and OE2(155) at 61.6704 63.9458 23.3618 in (null):E-9999 (20) other bump:2.17212 Ang CB(78) at 60.144 66.4381 25.0041 in (null):S-9999 (11) and OE1(154) at 61.0761 66.0498 23.081 in (null):E-9999 (20) other bump:2.52668 Ang O(49) at 60.049 63.651 22.477 in (null):K-9999 (7) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:2.87469 Ang N(76) at 60.5 64.039 25.474 in (null):S-9999 (11) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:3.13905 Ang CA(77) at 60.517 65.38 26.039 in (null):S-9999 (11) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:2.81417 Ang CB(78) at 60.144 66.4381 25.0041 in (null):S-9999 (11) and CD(153) at 61.927 65.1576 23.2433 in (null):E-9999 (20) other bump:1.97548 Ang O(80) at 59.785 66.314 28.112 in (null):S-9999 (11) and OD1(130) at 60.9208 65.0669 29.1402 in (null):N-9999 (17) other bump:2.36733 Ang C(81) at 59.582 65.48 27.232 in (null):S-9999 (11) and OD1(130) at 60.9208 65.0669 29.1402 in (null):N-9999 (17) other bump:2.41286 Ang O(80) at 59.785 66.314 28.112 in (null):S-9999 (11) and CG(128) at 61.2899 65.9145 29.9553 in (null):N-9999 (17) other bump:3.24373 Ang C(81) at 59.582 65.48 27.232 in (null):S-9999 (11) and CG(128) at 61.2899 65.9145 29.9553 in (null):N-9999 (17) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=377 Number of alignments=106 # Reading fragments from alignment file # T0136 read from T0136-1fchA-vit-adpstyle5.pw.a2m.gz # 1fchA read from T0136-1fchA-vit-adpstyle5.pw.a2m.gz # found chain 1fchA in template set T0136 32 :DAAELIAKKLLSFLPQNNTEE 1fchA 383 :RQACEILRDWLRYTPAYAHLV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.87051 Ang O(57) at 60.049 63.651 22.477 in (null):K-9999 (8) and OE2(163) at 61.6704 63.9458 23.3618 in (null):E-9999 (21) other bump:2.41655 Ang N(84) at 60.5 64.039 25.474 in (null):S-9999 (12) and OE2(163) at 61.6704 63.9458 23.3618 in (null):E-9999 (21) other bump:2.72586 Ang CB(78) at 62.15 61.502 24.47 in (null):L-9999 (11) and OE2(163) at 61.6704 63.9458 23.3618 in (null):E-9999 (21) other bump:2.17212 Ang CB(86) at 60.144 66.4381 25.0041 in (null):S-9999 (12) and OE1(162) at 61.0761 66.0498 23.081 in (null):E-9999 (21) other bump:2.52668 Ang O(57) at 60.049 63.651 22.477 in (null):K-9999 (8) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:2.87469 Ang N(84) at 60.5 64.039 25.474 in (null):S-9999 (12) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:3.13905 Ang CA(85) at 60.517 65.38 26.039 in (null):S-9999 (12) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:2.81417 Ang CB(86) at 60.144 66.4381 25.0041 in (null):S-9999 (12) and CD(161) at 61.927 65.1576 23.2433 in (null):E-9999 (21) other bump:1.97548 Ang O(88) at 59.785 66.314 28.112 in (null):S-9999 (12) and OD1(138) at 60.9208 65.0669 29.1402 in (null):N-9999 (18) other bump:2.36733 Ang C(89) at 59.582 65.48 27.232 in (null):S-9999 (12) and OD1(138) at 60.9208 65.0669 29.1402 in (null):N-9999 (18) other bump:2.41286 Ang O(88) at 59.785 66.314 28.112 in (null):S-9999 (12) and CG(136) at 61.2899 65.9145 29.9553 in (null):N-9999 (18) other bump:3.24373 Ang C(89) at 59.582 65.48 27.232 in (null):S-9999 (12) and CG(136) at 61.2899 65.9145 29.9553 in (null):N-9999 (18) T0136 85 :VIAKIVDWGDYLEVKAGY 1fchA 421 :ILGSLLSDSLFLEVKELF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.90175 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.52985 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:1.4623 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.27058 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CH2(65) at 66.5615 58.9251 0.782681 in (null):W-9999 (8) other bump:2.7774 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ3(64) at 67.3331 59.8978 1.44793 in (null):W-9999 (8) other bump:2.66781 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.50078 Ang CD(26) at 64.3669 59.6663 -0.234535 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:1.45138 Ang CE(27) at 65.3719 58.5416 0.0236304 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.73399 Ang NZ(28) at 66.0053 58.1227 -1.26727 in (null):K-9999 (4) and CZ2(63) at 65.5663 58.2351 1.4289 in (null):W-9999 (8) other bump:2.83989 Ang CG(25) at 64.1018 60.4367 1.07471 in (null):K-9999 (4) and CE2(60) at 65.3406 58.5335 2.78009 in (null):W-9999 (8) Number of specific fragments= 2 total=379 Number of alignments=107 # command:# Prefix for input files set to 1aisA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1aisA-T0136-local-adpstyle1.pw.a2m.gz # 1aisA read from 1aisA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 21 :SGNIHFV 1aisA 62 :SGKLVVT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.95035 Ang CD1(25) at -50.0121 29.4807 108.904 in (null):I-9999 (4) and CZ(46) at -50.4797 27.6386 108.466 in (null):F-9999 (6) other bump:2.82456 Ang CG1(23) at -48.9617 30.5413 108.516 in (null):I-9999 (4) and CE2(45) at -50.7176 28.5876 107.478 in (null):F-9999 (6) other bump:1.82483 Ang CD1(25) at -50.0121 29.4807 108.904 in (null):I-9999 (4) and CE2(45) at -50.7176 28.5876 107.478 in (null):F-9999 (6) other bump:3.04043 Ang CD1(25) at -50.0121 29.4807 108.904 in (null):I-9999 (4) and CD2(43) at -50.4584 28.2832 106.146 in (null):F-9999 (6) T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNP 1aisA 70 :AKSVQDIERAVAKLAQKLKSIGVKFKRAPQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.67702 Ang CD2(111) at -56.421 30.5285 112.661 in (null):L-9999 (15) and CG2(222) at -55.7567 32.5178 110.998 in (null):V-9999 (29) other bump:2.69931 Ang CD1(110) at -54.2508 30.9008 113.839 in (null):L-9999 (15) and OE1(192) at -53.9135 32.5465 115.951 in (null):E-9999 (25) other bump:1.40568 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.38032 Ang C(138) at -52.797 28.479 120.783 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.55045 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and CG(158) at -49.9869 27.9401 122.617 in (null):N-9999 (21) Number of specific fragments= 2 total=381 Number of alignments=108 # Reading fragments from alignment file # T0136 read from 1aisA-T0136-local-adpstyle5.pw.a2m.gz # 1aisA read from 1aisA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 16 :AHMAISGNIHFV 1aisA 57 :LLIFSSGKLVVT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.95035 Ang CD1(61) at -50.0121 29.4807 108.904 in (null):I-9999 (9) and CZ(82) at -50.4797 27.6386 108.466 in (null):F-9999 (11) other bump:2.82456 Ang CG1(59) at -48.9617 30.5413 108.516 in (null):I-9999 (9) and CE2(81) at -50.7176 28.5876 107.478 in (null):F-9999 (11) other bump:1.82483 Ang CD1(61) at -50.0121 29.4807 108.904 in (null):I-9999 (9) and CE2(81) at -50.7176 28.5876 107.478 in (null):F-9999 (11) other bump:3.04043 Ang CD1(61) at -50.0121 29.4807 108.904 in (null):I-9999 (9) and CD2(79) at -50.4584 28.2832 106.146 in (null):F-9999 (11) T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNP 1aisA 70 :AKSVQDIERAVAKLAQKLKSIGVKFKRAPQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.67702 Ang CD2(111) at -56.421 30.5285 112.661 in (null):L-9999 (15) and CG2(222) at -55.7567 32.5178 110.998 in (null):V-9999 (29) other bump:2.69931 Ang CD1(110) at -54.2508 30.9008 113.839 in (null):L-9999 (15) and OE1(192) at -53.9135 32.5465 115.951 in (null):E-9999 (25) other bump:1.40568 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.38032 Ang C(138) at -52.797 28.479 120.783 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.55045 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and CG(158) at -49.9869 27.9401 122.617 in (null):N-9999 (21) Number of specific fragments= 2 total=383 Number of alignments=109 # Reading fragments from alignment file # T0136 read from 1aisA-T0136-vit-adpstyle1.pw.a2m.gz # 1aisA read from 1aisA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 21 :SGNIHFV 1aisA 62 :SGKLVVT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.95035 Ang CD1(25) at -50.0121 29.4807 108.904 in (null):I-9999 (4) and CZ(46) at -50.4797 27.6386 108.466 in (null):F-9999 (6) other bump:2.82456 Ang CG1(23) at -48.9617 30.5413 108.516 in (null):I-9999 (4) and CE2(45) at -50.7176 28.5876 107.478 in (null):F-9999 (6) other bump:1.82483 Ang CD1(25) at -50.0121 29.4807 108.904 in (null):I-9999 (4) and CE2(45) at -50.7176 28.5876 107.478 in (null):F-9999 (6) other bump:3.04043 Ang CD1(25) at -50.0121 29.4807 108.904 in (null):I-9999 (4) and CD2(43) at -50.4584 28.2832 106.146 in (null):F-9999 (6) T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNP 1aisA 70 :AKSVQDIERAVAKLAQKLKSIGVKFKRAPQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.67702 Ang CD2(111) at -56.421 30.5285 112.661 in (null):L-9999 (15) and CG2(222) at -55.7567 32.5178 110.998 in (null):V-9999 (29) other bump:2.69931 Ang CD1(110) at -54.2508 30.9008 113.839 in (null):L-9999 (15) and OE1(192) at -53.9135 32.5465 115.951 in (null):E-9999 (25) other bump:1.40568 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.38032 Ang C(138) at -52.797 28.479 120.783 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.55045 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and CG(158) at -49.9869 27.9401 122.617 in (null):N-9999 (21) Number of specific fragments= 2 total=385 Number of alignments=110 # Reading fragments from alignment file # T0136 read from 1aisA-T0136-vit-adpstyle5.pw.a2m.gz # 1aisA read from 1aisA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 16 :AHMAISGNIHFV 1aisA 57 :LLIFSSGKLVVT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.95035 Ang CD1(61) at -50.0121 29.4807 108.904 in (null):I-9999 (9) and CZ(82) at -50.4797 27.6386 108.466 in (null):F-9999 (11) other bump:2.82456 Ang CG1(59) at -48.9617 30.5413 108.516 in (null):I-9999 (9) and CE2(81) at -50.7176 28.5876 107.478 in (null):F-9999 (11) other bump:1.82483 Ang CD1(61) at -50.0121 29.4807 108.904 in (null):I-9999 (9) and CE2(81) at -50.7176 28.5876 107.478 in (null):F-9999 (11) other bump:3.04043 Ang CD1(61) at -50.0121 29.4807 108.904 in (null):I-9999 (9) and CD2(79) at -50.4584 28.2832 106.146 in (null):F-9999 (11) T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNP 1aisA 70 :AKSVQDIERAVAKLAQKLKSIGVKFKRAPQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.67702 Ang CD2(111) at -56.421 30.5285 112.661 in (null):L-9999 (15) and CG2(222) at -55.7567 32.5178 110.998 in (null):V-9999 (29) other bump:2.69931 Ang CD1(110) at -54.2508 30.9008 113.839 in (null):L-9999 (15) and OE1(192) at -53.9135 32.5465 115.951 in (null):E-9999 (25) other bump:1.40568 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.38032 Ang C(138) at -52.797 28.479 120.783 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.55045 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and CG(158) at -49.9869 27.9401 122.617 in (null):N-9999 (21) Number of specific fragments= 2 total=387 Number of alignments=111 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFV 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNP 1aisA 70 :AKSVQDIERAVAKLAQKLKSIGVKFKRAPQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.67702 Ang CD2(111) at -56.421 30.5285 112.661 in (null):L-9999 (15) and CG2(222) at -55.7567 32.5178 110.998 in (null):V-9999 (29) other bump:2.69931 Ang CD1(110) at -54.2508 30.9008 113.839 in (null):L-9999 (15) and OE1(192) at -53.9135 32.5465 115.951 in (null):E-9999 (25) other bump:1.40568 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.38032 Ang C(138) at -52.797 28.479 120.783 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.55045 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and CG(158) at -49.9869 27.9401 122.617 in (null):N-9999 (21) T0136 75 :DGKKGYDVRDVIAK 1aisA 110 :DIGREFNLDVVALT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.32579 Ang O(12) at -52.532 21.271 73.812 in (null):G-9999 (2) and CG(17) at -54.695 20.4803 73.4874 in (null):K-9999 (3) neighbor-bump: 2.78691 Ang C(13) at -52.173 20.457 74.673 in (null):G-9999 (2) and CG(17) at -54.695 20.4803 73.4874 in (null):K-9999 (3) T0136 93 :GDYLEVKAG 1aisA 172 :RKLLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51713 Ang CD2(19) at -46.387 26.4327 75.7474 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5582 Ang CE1(20) at -43.8889 27.4224 75.1894 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.44618 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.49417 Ang CZ(22) at -44.0753 26.0505 75.171 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.98941 Ang OH(23) at -42.9909 25.2441 74.8793 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5942 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and CE(55) at -45.3206 24.2687 73.211 in (null):K-9999 (7) Number of specific fragments= 5 total=392 Number of alignments=112 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFV 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNP 1aisA 70 :AKSVQDIERAVAKLAQKLKSIGVKFKRAPQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.67702 Ang CD2(111) at -56.421 30.5285 112.661 in (null):L-9999 (15) and CG2(222) at -55.7567 32.5178 110.998 in (null):V-9999 (29) other bump:2.69931 Ang CD1(110) at -54.2508 30.9008 113.839 in (null):L-9999 (15) and OE1(192) at -53.9135 32.5465 115.951 in (null):E-9999 (25) other bump:1.40568 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.38032 Ang C(138) at -52.797 28.479 120.783 in (null):L-9999 (18) and OD1(160) at -50.9362 28.6553 122.257 in (null):N-9999 (21) other bump:2.55045 Ang O(137) at -52.286 28.761 121.879 in (null):L-9999 (18) and CG(158) at -49.9869 27.9401 122.617 in (null):N-9999 (21) T0136 71 :IVPIDGKKGYDVRDVIAK 1aisA 106 :VFSGDIGREFNLDVVALT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.32579 Ang O(42) at -52.532 21.271 73.812 in (null):G-9999 (6) and CG(47) at -54.695 20.4803 73.4874 in (null):K-9999 (7) neighbor-bump: 2.78691 Ang C(43) at -52.173 20.457 74.673 in (null):G-9999 (6) and CG(47) at -54.695 20.4803 73.4874 in (null):K-9999 (7) neighbor-bump: 2.50215 Ang O(22) at -51.386 20.125 85.049 in (null):P-9999 (3) and CG2(28) at -51.6714 21.8777 83.2862 in (null):I-9999 (4) neighbor-bump: 2.87825 Ang C(23) at -50.247 19.834 84.728 in (null):P-9999 (3) and CG2(28) at -51.6714 21.8777 83.2862 in (null):I-9999 (4) other bump:2.87196 Ang CG1(13) at -51.6559 23.116 85.8774 in (null):V-9999 (2) and CG2(28) at -51.6714 21.8777 83.2862 in (null):I-9999 (4) T0136 94 :DYLEVKAG 1aisA 173 :KLLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.51712 Ang CD2(15) at -46.387 26.4327 75.7474 in (null):Y-9999 (2) and NZ(52) at -44.8322 25.2945 74.1278 in (null):K-9999 (6) other bump:2.55819 Ang CE1(16) at -43.8889 27.4223 75.1894 in (null):Y-9999 (2) and NZ(52) at -44.8322 25.2945 74.1278 in (null):K-9999 (6) other bump:1.44617 Ang CE2(17) at -45.3339 25.5678 75.4564 in (null):Y-9999 (2) and NZ(52) at -44.8322 25.2945 74.1278 in (null):K-9999 (6) other bump:1.49416 Ang CZ(18) at -44.0753 26.0505 75.1709 in (null):Y-9999 (2) and NZ(52) at -44.8322 25.2945 74.1278 in (null):K-9999 (6) other bump:1.9894 Ang OH(19) at -42.9909 25.2441 74.8793 in (null):Y-9999 (2) and NZ(52) at -44.8322 25.2945 74.1278 in (null):K-9999 (6) other bump:2.59419 Ang CE2(17) at -45.3339 25.5678 75.4564 in (null):Y-9999 (2) and CE(51) at -45.3206 24.2687 73.211 in (null):K-9999 (6) Number of specific fragments= 5 total=397 Number of alignments=113 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 23 :NIHFVAEDDDAAELIAKKLLSFLPQ 1aisA 156 :IVCSGAKSEADAWEAVRKLLRELDK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.81077 Ang CB(177) at -47.02 26.081 70.47 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.92273 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.0742 Ang C(182) at -47.593 26.903 68.179 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) self-bump: 1.27602 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:2.84675 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.38128 Ang N(175) at -46.876 28.504 69.954 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.40191 Ang CA(176) at -46.717 27.152 69.408 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.41192 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) self-bump: 2.1492 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.60934 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.55632 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CB(185) at -50.988 27.9102 68.0433 in (null):P-9999 (24) neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 1 total=398 Number of alignments=114 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 20 :ISG 1aisA 152 :SSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 23 :NIHFVAEDDDAAELIAKKLLSFLPQ 1aisA 156 :IVCSGAKSEADAWEAVRKLLRELDK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.81077 Ang CB(177) at -47.02 26.081 70.47 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.92273 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.0742 Ang C(182) at -47.593 26.903 68.179 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) self-bump: 1.27602 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:2.84675 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.38128 Ang N(175) at -46.876 28.504 69.954 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.40191 Ang CA(176) at -46.717 27.152 69.408 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.41192 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) self-bump: 2.1492 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.60934 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.55632 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CB(185) at -50.988 27.9102 68.0433 in (null):P-9999 (24) neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 2 total=400 Number of alignments=115 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFVAEDD 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLIFSSG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 32 :DAAELIAKKLLSFLPQNNTEEASFVNP 1aisA 77 :ERAVAKLAQKLKSIGVKFKRAPQIDVQ Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.39185 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:1.86098 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:2.91016 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.68078 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.91182 Ang CD(24) at -52.9715 29.8907 109.523 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.81885 Ang OE1(25) at -52.2128 29.2351 108.77 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.86612 Ang CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) and CE1(183) at -55.9002 31.4901 107.476 in (null):F-9999 (24) other bump:2.58094 Ang CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) other bump:1.86919 Ang NZ(56) at -56.6841 31.64 110.426 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) neighbor-bump: 1.96835 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 0.665803 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.58838 Ang CB(103) at -50.0812 27.0424 123.701 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 1.01056 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.78863 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 1.49039 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) self-bump: 2.16002 Ang N(109) at -52.274 29.451 125.132 in (null):P-9999 (15) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 0.822527 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 2.4794 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) neighbor-bump: 2.07185 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) other bump:2.20557 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.26643 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:1.97745 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.74777 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.06042 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.91004 Ang CA(60) at -56.629 26.15 117.806 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80311 Ang CB(61) at -57.5921 25.0175 117.427 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.03508 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.19926 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80561 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.60492 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CE1(96) at -57.9663 23.4973 121.832 in (null):F-9999 (13) other bump:1.71979 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.3641 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.7107 Ang CA(69) at -53.456 24.481 119.107 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.76807 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.78521 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) T0136 59 :NNDVSPNTELRDIVPIDGKKGYD 1aisA 108 :SGDIGREFNLDVVALTLPNCEYE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.67392 Ang CG2(109) at -35.5883 23.8669 72.2897 in (null):V-9999 (14) and CD2(166) at -34.219 21.828 73.347 in (null):Y-9999 (22) other bump:2.91582 Ang CG2(109) at -35.5883 23.8669 72.2897 in (null):V-9999 (14) and CG(164) at -34.539 22.405 74.584 in (null):Y-9999 (22) other bump:2.76981 Ang CG2(109) at -35.5883 23.8669 72.2897 in (null):V-9999 (14) and CB(163) at -34.412 23.906 74.797 in (null):Y-9999 (22) other bump:2.24248 Ang CG(130) at -41.507 29.139 72.2724 in (null):D-9999 (17) and NZ(154) at -42.4545 27.4502 73.4034 in (null):K-9999 (20) other bump:1.0354 Ang OD2(132) at -41.984 28.3118 73.0742 in (null):D-9999 (17) and NZ(154) at -42.4545 27.4502 73.4034 in (null):K-9999 (20) other bump:2.06677 Ang CG(130) at -41.507 29.139 72.2724 in (null):D-9999 (17) and CE(153) at -41.9798 28.617 74.2155 in (null):K-9999 (20) other bump:1.18143 Ang OD2(132) at -41.984 28.3118 73.0742 in (null):D-9999 (17) and CE(153) at -41.9798 28.617 74.2155 in (null):K-9999 (20) other bump:2.54404 Ang OD1(131) at -41.6211 30.3738 72.4108 in (null):D-9999 (17) and CE(153) at -41.9798 28.617 74.2155 in (null):K-9999 (20) other bump:2.75633 Ang CB(129) at -40.7274 28.6184 71.1016 in (null):D-9999 (17) and CD(152) at -40.4961 28.786 73.8431 in (null):K-9999 (20) other bump:1.90093 Ang CG(130) at -41.507 29.139 72.2724 in (null):D-9999 (17) and CD(152) at -40.4961 28.786 73.8431 in (null):K-9999 (20) other bump:1.74073 Ang OD2(132) at -41.984 28.3118 73.0742 in (null):D-9999 (17) and CD(152) at -40.4961 28.786 73.8431 in (null):K-9999 (20) other bump:2.41625 Ang OD1(131) at -41.6211 30.3738 72.4108 in (null):D-9999 (17) and CD(152) at -40.4961 28.786 73.8431 in (null):K-9999 (20) other bump:3.18732 Ang C(96) at -38.434 23.841 67.403 in (null):D-9999 (12) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) other bump:2.12865 Ang O(87) at -35.526 23.128 67.969 in (null):R-9999 (11) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) other bump:3.18266 Ang C(88) at -36.077 22.034 68.031 in (null):R-9999 (11) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) neighbor-bump: 2.3811 Ang N(105) at -37.433 24.939 70.256 in (null):V-9999 (14) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) neighbor-bump: 2.62519 Ang CB(107) at -35.1592 24.7029 71.0747 in (null):V-9999 (14) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) neighbor-bump: 2.31083 Ang CA(106) at -36.33 25.764 70.722 in (null):V-9999 (14) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) neighbor-bump: 1.94273 Ang C(111) at -35.837 26.753 69.669 in (null):V-9999 (14) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) self-bump: 1.30885 Ang N(112) at -36.046 26.427 68.402 in (null):P-9999 (15) and CD(116) at -35.7729 25.1571 68.563 in (null):P-9999 (15) other bump:2.04071 Ang O(87) at -35.526 23.128 67.969 in (null):R-9999 (11) and CG(115) at -34.7854 24.9515 67.4296 in (null):P-9999 (15) other bump:3.24678 Ang C(88) at -36.077 22.034 68.031 in (null):R-9999 (11) and CG(115) at -34.7854 24.9515 67.4296 in (null):P-9999 (15) self-bump: 2.17073 Ang N(112) at -36.046 26.427 68.402 in (null):P-9999 (15) and CG(115) at -34.7854 24.9515 67.4296 in (null):P-9999 (15) T0136 93 :GDYLEVKAG 1aisA 172 :RKLLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51713 Ang CD2(19) at -46.387 26.4327 75.7474 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5582 Ang CE1(20) at -43.8889 27.4224 75.1894 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.44618 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.49417 Ang CZ(22) at -44.0753 26.0505 75.171 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.98941 Ang OH(23) at -42.9909 25.2441 74.8793 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5942 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and CE(55) at -45.3206 24.2687 73.211 in (null):K-9999 (7) Number of specific fragments= 5 total=405 Number of alignments=116 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFVAED 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLIFSS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 31 :D 1aisA 73 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 32 :DAAELIAKKLLSFLPQNNTEEASFV 1aisA 77 :ERAVAKLAQKLKSIGVKFKRAPQID Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.39185 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:1.86098 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:2.91016 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.68078 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.91182 Ang CD(24) at -52.9715 29.8907 109.523 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.81885 Ang OE1(25) at -52.2128 29.2351 108.77 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.86612 Ang CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) and CE1(183) at -55.9002 31.4901 107.476 in (null):F-9999 (24) other bump:2.58094 Ang CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) other bump:1.86919 Ang NZ(56) at -56.6841 31.64 110.426 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) neighbor-bump: 1.96835 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.58838 Ang CB(103) at -50.0812 27.0424 123.701 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 0.665803 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 1.01056 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.78863 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 1.49039 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 0.822527 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) self-bump: 2.16002 Ang N(109) at -52.274 29.451 125.132 in (null):P-9999 (15) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 2.4794 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) neighbor-bump: 2.07185 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) other bump:1.97745 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.20557 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.26643 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.06042 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80311 Ang CB(61) at -57.5921 25.0175 117.427 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.74777 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.91004 Ang CA(60) at -56.629 26.15 117.806 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80561 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.03508 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.19926 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.60492 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CE1(96) at -57.9663 23.4973 121.832 in (null):F-9999 (13) other bump:2.7107 Ang CA(69) at -53.456 24.481 119.107 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.76807 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:1.71979 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.3641 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.78521 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) T0136 73 :PIDGKKGYDV 1aisA 108 :SGDIGREFNL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.32579 Ang O(27) at -52.532 21.271 73.812 in (null):G-9999 (4) and CG(32) at -54.695 20.4803 73.4874 in (null):K-9999 (5) neighbor-bump: 2.78691 Ang C(28) at -52.173 20.457 74.673 in (null):G-9999 (4) and CG(32) at -54.695 20.4803 73.4874 in (null):K-9999 (5) neighbor-bump: 2.50215 Ang O(7) at -51.386 20.125 85.049 in (null):P-9999 (1) and CG2(13) at -51.6714 21.8777 83.2862 in (null):I-9999 (2) neighbor-bump: 2.87825 Ang C(8) at -50.247 19.834 84.728 in (null):P-9999 (1) and CG2(13) at -51.6714 21.8777 83.2862 in (null):I-9999 (2) T0136 84 :DVIAK 1aisA 118 :DVVAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 93 :GDYLEVKAG 1aisA 172 :RKLLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51713 Ang CD2(19) at -46.387 26.4327 75.7474 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5582 Ang CE1(20) at -43.8889 27.4224 75.1894 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.44618 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.49417 Ang CZ(22) at -44.0753 26.0505 75.171 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.98941 Ang OH(23) at -42.9909 25.2441 74.8793 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5942 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and CE(55) at -45.3206 24.2687 73.211 in (null):K-9999 (7) Number of specific fragments= 7 total=412 Number of alignments=117 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 23 :NIHFVAEDDDAAELIAKKLLSFL 1aisA 156 :IVCSGAKSEADAWEAVRKLLREL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 1 total=413 Number of alignments=118 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 21 :SG 1aisA 153 :SG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 23 :NIHFVAEDDDAAELIAKKLLSFL 1aisA 156 :IVCSGAKSEADAWEAVRKLLREL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 2 total=415 Number of alignments=119 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFVAE 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLIFS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFV 1aisA 75 :DIERAVAKLAQKLKSIGVKFKRAPQID Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.39185 Ang CB(38) at -54.8961 28.4348 108.797 in (null):E-9999 (6) and CZ(201) at -54.8843 30.5794 107.738 in (null):F-9999 (26) other bump:1.86098 Ang CG(39) at -54.4851 29.7693 109.365 in (null):E-9999 (6) and CZ(201) at -54.8843 30.5794 107.738 in (null):F-9999 (26) other bump:2.91016 Ang CB(38) at -54.8961 28.4348 108.797 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.68078 Ang CG(39) at -54.4851 29.7693 109.365 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.91182 Ang CD(40) at -52.9715 29.8907 109.523 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.81885 Ang OE1(41) at -52.2128 29.2351 108.77 in (null):E-9999 (6) and CE2(200) at -53.9186 30.315 106.803 in (null):F-9999 (26) other bump:2.86612 Ang CB(184) at -55.993 33.238 109.746 in (null):A-9999 (24) and CE1(199) at -55.9002 31.4901 107.476 in (null):F-9999 (26) other bump:2.58094 Ang CE(71) at -55.5718 31.3132 111.413 in (null):K-9999 (10) and CB(184) at -55.993 33.238 109.746 in (null):A-9999 (24) other bump:1.86919 Ang NZ(72) at -56.6841 31.64 110.426 in (null):K-9999 (10) and CB(184) at -55.993 33.238 109.746 in (null):A-9999 (24) neighbor-bump: 1.96835 Ang CA(118) at -51.221 27.306 124.761 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 2.58838 Ang CB(119) at -50.0812 27.0424 123.701 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 1.01056 Ang O(123) at -50.12 29.246 125.669 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 0.665803 Ang C(124) at -51.149 28.76 125.226 in (null):L-9999 (16) and CD(129) at -50.7862 29.22 124.91 in (null):P-9999 (17) neighbor-bump: 2.78863 Ang CA(118) at -51.221 27.306 124.761 in (null):L-9999 (16) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) neighbor-bump: 0.822527 Ang O(123) at -50.12 29.246 125.669 in (null):L-9999 (16) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) neighbor-bump: 1.49039 Ang C(124) at -51.149 28.76 125.226 in (null):L-9999 (16) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) self-bump: 2.16002 Ang N(125) at -52.274 29.451 125.132 in (null):P-9999 (17) and CG(128) at -50.4993 29.4713 126.363 in (null):P-9999 (17) neighbor-bump: 2.07185 Ang O(123) at -50.12 29.246 125.669 in (null):L-9999 (16) and CB(127) at -51.0881 30.8275 126.593 in (null):P-9999 (17) neighbor-bump: 2.4794 Ang C(124) at -51.149 28.76 125.226 in (null):L-9999 (16) and CB(127) at -51.0881 30.8275 126.593 in (null):P-9999 (17) other bump:1.97745 Ang CG(78) at -58.2447 24.3217 118.613 in (null):K-9999 (11) and CZ(114) at -57.8608 23.7156 120.456 in (null):F-9999 (15) other bump:2.26643 Ang CD(79) at -59.1307 25.2668 119.398 in (null):K-9999 (11) and CZ(114) at -57.8608 23.7156 120.456 in (null):F-9999 (15) other bump:2.20557 Ang CE(80) at -59.9177 24.5115 120.436 in (null):K-9999 (11) and CZ(114) at -57.8608 23.7156 120.456 in (null):F-9999 (15) other bump:2.80311 Ang CB(77) at -57.5921 25.0175 117.427 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.06042 Ang CG(78) at -58.2447 24.3217 118.613 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.74777 Ang CD(79) at -59.1307 25.2668 119.398 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.91004 Ang CA(76) at -56.629 26.15 117.806 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.80561 Ang N(84) at -54.558 24.958 118.267 in (null):L-9999 (12) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.03508 Ang O(82) at -55.66 25.931 119.961 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.19926 Ang C(83) at -55.564 25.669 118.772 in (null):K-9999 (11) and CE2(113) at -56.6711 24.1651 119.934 in (null):F-9999 (15) other bump:2.60492 Ang CE(80) at -59.9177 24.5115 120.436 in (null):K-9999 (11) and CE1(112) at -57.9663 23.4973 121.832 in (null):F-9999 (15) other bump:2.76807 Ang N(84) at -54.558 24.958 118.267 in (null):L-9999 (12) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:1.71979 Ang O(82) at -55.66 25.931 119.961 in (null):K-9999 (11) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:2.3641 Ang C(83) at -55.564 25.669 118.772 in (null):K-9999 (11) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:2.7107 Ang CA(85) at -53.456 24.481 119.107 in (null):L-9999 (12) and CD2(111) at -55.5887 24.4199 120.779 in (null):F-9999 (15) other bump:2.78521 Ang CG(39) at -54.4851 29.7693 109.365 in (null):E-9999 (6) and CE(71) at -55.5718 31.3132 111.413 in (null):K-9999 (10) T0136 75 :DGKKGYDVRDVIAK 1aisA 110 :DIGREFNLDVVALT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.32579 Ang O(12) at -52.532 21.271 73.812 in (null):G-9999 (2) and CG(17) at -54.695 20.4803 73.4874 in (null):K-9999 (3) neighbor-bump: 2.78691 Ang C(13) at -52.173 20.457 74.673 in (null):G-9999 (2) and CG(17) at -54.695 20.4803 73.4874 in (null):K-9999 (3) T0136 93 :GDYLEVKAG 1aisA 172 :RKLLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51713 Ang CD2(19) at -46.387 26.4327 75.7474 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5582 Ang CE1(20) at -43.8889 27.4224 75.1894 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.44618 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.49417 Ang CZ(22) at -44.0753 26.0505 75.171 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:1.98941 Ang OH(23) at -42.9909 25.2441 74.8793 in (null):Y-9999 (3) and NZ(56) at -44.8322 25.2945 74.1278 in (null):K-9999 (7) other bump:2.5942 Ang CE2(21) at -45.3339 25.5678 75.4564 in (null):Y-9999 (3) and CE(55) at -45.3206 24.2687 73.211 in (null):K-9999 (7) Number of specific fragments= 5 total=420 Number of alignments=120 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 1 :VT 1aisA 1 :MV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 3 :GEDVTADELGGAEAHMAISGNIHFVAE 1aisA 35 :NSKYNPEEFPGIICHLDDPKVALLIFS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.9643 Ang OE1(85) at -38.361 22.4019 106.143 in (null):E-9999 (13) and CE2(168) at -39.4589 25.1548 106.084 in (null):F-9999 (24) other bump:1.64811 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.52661 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:0.949376 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and NE2(158) at -50.3372 23.4619 107.506 in (null):H-9999 (23) other bump:2.5149 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.20682 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CE1(157) at -50.4707 24.7532 107.301 in (null):H-9999 (23) other bump:2.87465 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND1(156) at -49.3461 25.3613 107.685 in (null):H-9999 (23) other bump:2.09815 Ang ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.99012 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:1.33966 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CD2(155) at -49.0919 23.213 108.041 in (null):H-9999 (23) other bump:2.53573 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(154) at -48.4705 24.4114 108.151 in (null):H-9999 (23) other bump:3.18943 Ang NE2(101) at -42.327 18.206 105.695 in (null):H-9999 (15) and CG1(146) at -44.0458 20.3175 104.034 in (null):I-9999 (22) other bump:2.80168 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and OD1(140) at -51.5513 21.1104 105.909 in (null):N-9999 (21) other bump:3.13558 Ang SD(108) at -51.4881 21.5411 108.677 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:1.90557 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and ND2(139) at -49.8675 22.5745 106.199 in (null):N-9999 (21) other bump:2.74626 Ang CE(109) at -50.3216 22.6816 108.047 in (null):M-9999 (16) and CG(138) at -50.5167 21.6573 105.506 in (null):N-9999 (21) neighbor-bump: 2.63143 Ang C(124) at -54.327 16.322 106.727 in (null):I-9999 (18) and C(130) at -52.727 17.938 105.403 in (null):S-9999 (19) self-bump: 1.38458 Ang CA(118) at -54.5 15.463 107.95 in (null):I-9999 (18) and CB(119) at -55.6699 15.7781 108.62 in (null):I-9999 (18) other bump:2.9005 Ang OG1(34) at -31.9695 24.0014 111.982 in (null):T-9999 (5) and CD(54) at -30.753 23.914 109.35 in (null):E-9999 (8) T0136 30 :DD 1aisA 72 :SV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 32 :DAAELIAKKLLSFLPQNNTEEASFV 1aisA 77 :ERAVAKLAQKLKSIGVKFKRAPQID Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.39185 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:1.86098 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CZ(185) at -54.8843 30.5794 107.738 in (null):F-9999 (24) other bump:2.91016 Ang CB(22) at -54.8961 28.4348 108.797 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.68078 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.91182 Ang CD(24) at -52.9715 29.8907 109.523 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.81885 Ang OE1(25) at -52.2128 29.2351 108.77 in (null):E-9999 (4) and CE2(184) at -53.9186 30.315 106.803 in (null):F-9999 (24) other bump:2.86612 Ang CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) and CE1(183) at -55.9002 31.4901 107.476 in (null):F-9999 (24) other bump:2.58094 Ang CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) other bump:1.86919 Ang NZ(56) at -56.6841 31.64 110.426 in (null):K-9999 (8) and CB(168) at -55.993 33.238 109.746 in (null):A-9999 (22) neighbor-bump: 1.96835 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.58838 Ang CB(103) at -50.0812 27.0424 123.701 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 0.665803 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 1.01056 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CD(113) at -50.7862 29.22 124.91 in (null):P-9999 (15) neighbor-bump: 2.78863 Ang CA(102) at -51.221 27.306 124.761 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 1.49039 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 0.822527 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) self-bump: 2.16002 Ang N(109) at -52.274 29.451 125.132 in (null):P-9999 (15) and CG(112) at -50.4993 29.4713 126.363 in (null):P-9999 (15) neighbor-bump: 2.4794 Ang C(108) at -51.149 28.76 125.226 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) neighbor-bump: 2.07185 Ang O(107) at -50.12 29.246 125.669 in (null):L-9999 (14) and CB(111) at -51.0881 30.8275 126.593 in (null):P-9999 (15) other bump:1.97745 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.20557 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.26643 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CZ(98) at -57.8608 23.7156 120.456 in (null):F-9999 (13) other bump:2.06042 Ang CG(62) at -58.2447 24.3217 118.613 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80311 Ang CB(61) at -57.5921 25.0175 117.427 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.74777 Ang CD(63) at -59.1307 25.2668 119.398 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.91004 Ang CA(60) at -56.629 26.15 117.806 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.80561 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.03508 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.19926 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CE2(97) at -56.6711 24.1651 119.934 in (null):F-9999 (13) other bump:2.60492 Ang CE(64) at -59.9177 24.5115 120.436 in (null):K-9999 (9) and CE1(96) at -57.9663 23.4973 121.832 in (null):F-9999 (13) other bump:2.7107 Ang CA(69) at -53.456 24.481 119.107 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.76807 Ang N(68) at -54.558 24.958 118.267 in (null):L-9999 (10) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:1.71979 Ang O(66) at -55.66 25.931 119.961 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.3641 Ang C(67) at -55.564 25.669 118.772 in (null):K-9999 (9) and CD2(95) at -55.5887 24.4199 120.779 in (null):F-9999 (13) other bump:2.78521 Ang CG(23) at -54.4851 29.7693 109.365 in (null):E-9999 (4) and CE(55) at -55.5718 31.3132 111.413 in (null):K-9999 (8) T0136 74 :IDGKKGYDVRDVIAK 1aisA 109 :GDIGREFNLDVVALT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.32579 Ang O(20) at -52.532 21.271 73.812 in (null):G-9999 (3) and CG(25) at -54.695 20.4803 73.4874 in (null):K-9999 (4) neighbor-bump: 2.78691 Ang C(21) at -52.173 20.457 74.673 in (null):G-9999 (3) and CG(25) at -54.695 20.4803 73.4874 in (null):K-9999 (4) neighbor-bump: 2.50215 Ang O(0) at -51.386 20.125 85.049 in (null):G-9999 (0) and CG2(6) at -51.6714 21.8777 83.2862 in (null):I-9999 (1) neighbor-bump: 2.87825 Ang C(1) at -50.247 19.834 84.728 in (null):G-9999 (0) and CG2(6) at -51.6714 21.8777 83.2862 in (null):I-9999 (1) T0136 95 :YLEVKAG 1aisA 174 :LLRELDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.51712 Ang CD2(7) at -46.387 26.4327 75.7474 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:2.5582 Ang CE1(8) at -43.8889 27.4224 75.1894 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:1.44616 Ang CE2(9) at -45.3339 25.5678 75.4564 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:1.49417 Ang CZ(10) at -44.0753 26.0505 75.1709 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:1.98941 Ang OH(11) at -42.9909 25.2441 74.8793 in (null):Y-9999 (1) and NZ(44) at -44.8322 25.2945 74.1278 in (null):K-9999 (5) other bump:2.59419 Ang CE2(9) at -45.3339 25.5678 75.4564 in (null):Y-9999 (1) and CE(43) at -45.3206 24.2687 73.211 in (null):K-9999 (5) Number of specific fragments= 6 total=426 Number of alignments=121 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 23 :NIHFVAEDDDAAELIAKKLLSFLPQ 1aisA 156 :IVCSGAKSEADAWEAVRKLLRELDK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.81077 Ang CB(177) at -47.02 26.081 70.47 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.92273 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.0742 Ang C(182) at -47.593 26.903 68.179 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) self-bump: 1.27602 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:2.84675 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.38128 Ang N(175) at -46.876 28.504 69.954 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.40191 Ang CA(176) at -46.717 27.152 69.408 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.41192 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) self-bump: 2.1492 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.60934 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.55632 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CB(185) at -50.988 27.9102 68.0433 in (null):P-9999 (24) neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 1 total=427 Number of alignments=122 # Reading fragments from alignment file # T0136 read from T0136-1aisA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 21 :SG 1aisA 153 :SG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 23 :NIHFVAEDDDAAELIAKKLLSFLPQ 1aisA 156 :IVCSGAKSEADAWEAVRKLLRELDK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.81077 Ang CB(177) at -47.02 26.081 70.47 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.92273 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.0742 Ang C(182) at -47.593 26.903 68.179 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) self-bump: 1.27602 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:2.84675 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.38128 Ang N(175) at -46.876 28.504 69.954 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) neighbor-bump: 2.40191 Ang CA(176) at -46.717 27.152 69.408 in (null):L-9999 (23) and CD(187) at -49.0538 27.7075 69.4124 in (null):P-9999 (24) other bump:1.41192 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) self-bump: 2.1492 Ang N(183) at -48.808 27.45 68.187 in (null):P-9999 (24) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.60934 Ang C(157) at -50.367 28.931 71.622 in (null):L-9999 (20) and CG(186) at -50.5609 27.5321 69.4279 in (null):P-9999 (24) other bump:2.55632 Ang O(156) at -50.46 28.466 70.482 in (null):L-9999 (20) and CB(185) at -50.988 27.9102 68.0433 in (null):P-9999 (24) neighbor-bump: 2.40918 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.78502 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.9344 Ang CD1(32) at -43.1838 28.8545 90.3698 in (null):F-9999 (4) and CG2(43) at -43.3643 31.0028 88.3791 in (null):V-9999 (5) neighbor-bump: 2.06684 Ang O(37) at -45.107 29.8 87.23 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) neighbor-bump: 2.51756 Ang C(38) at -45.398 29.109 88.195 in (null):F-9999 (4) and CB(41) at -44.7955 31.5519 88.2816 in (null):V-9999 (5) Number of specific fragments= 2 total=429 Number of alignments=123 # Reading fragments from alignment file # T0136 read from T0136-1aisA-local-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-local-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 28 :AEDDDAAELIAKKLLSFLPQ 1aisA 161 :AKSEADAWEAVRKLLRELDK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.92273 Ang O(112) at -50.46 28.466 70.482 in (null):L-9999 (15) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) self-bump: 1.27602 Ang N(139) at -48.808 27.45 68.187 in (null):P-9999 (19) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) other bump:2.84675 Ang C(113) at -50.367 28.931 71.622 in (null):L-9999 (15) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.38128 Ang N(131) at -46.876 28.504 69.954 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.40191 Ang CA(132) at -46.717 27.152 69.408 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.81077 Ang CB(133) at -47.02 26.081 70.47 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.0742 Ang C(138) at -47.593 26.903 68.179 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) other bump:1.41192 Ang O(112) at -50.46 28.466 70.482 in (null):L-9999 (15) and CG(142) at -50.5609 27.5321 69.4279 in (null):P-9999 (19) self-bump: 2.1492 Ang N(139) at -48.808 27.45 68.187 in (null):P-9999 (19) and CG(142) at -50.5609 27.5321 69.4279 in (null):P-9999 (19) other bump:2.60934 Ang C(113) at -50.367 28.931 71.622 in (null):L-9999 (15) and CG(142) at -50.5609 27.5321 69.4279 in (null):P-9999 (19) other bump:2.55632 Ang O(112) at -50.46 28.466 70.482 in (null):L-9999 (15) and CB(141) at -50.988 27.9102 68.0433 in (null):P-9999 (19) Number of specific fragments= 1 total=430 Number of alignments=124 # Reading fragments from alignment file # T0136 read from T0136-1aisA-local-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-local-adpstyle5.pw.a2m.gz # found chain 1aisA in template set Number of specific fragments= 0 total=430 # Reading fragments from alignment file # T0136 read from T0136-1aisA-simpleSW-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 26 :FVAEDDDAAELIAKKLLSFLPQNNTEEASF 1aisA 14 :IVASVDLFAQLDLEKVLDLCPNSKYNPEEF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.68022 Ang CG2(192) at -37.0118 26.0125 115.406 in (null):T-9999 (25) and OE2(211) at -35.711 27.3328 117.342 in (null):E-9999 (27) self-bump: 1.38818 Ang CA(197) at -32.76 25.076 113.888 in (null):E-9999 (26) and CB(198) at -31.7921 24.0915 113.744 in (null):E-9999 (26) other bump:1.91306 Ang CD2(129) at -40.188 22.805 117.38 in (null):L-9999 (17) and OD1(178) at -40.7691 22.6353 115.565 in (null):N-9999 (23) Number of specific fragments= 1 total=431 Number of alignments=125 # Reading fragments from alignment file # T0136 read from T0136-1aisA-simpleSW-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1aisA in template set T0136 27 :VAEDDDAAELIAKKLLSFLPQNNTEEAS 1aisA 15 :VASVDLFAQLDLEKVLDLCPNSKYNPEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.68022 Ang CG2(181) at -37.0118 26.0125 115.406 in (null):T-9999 (24) and OE2(200) at -35.711 27.3328 117.342 in (null):E-9999 (26) self-bump: 1.38818 Ang CA(186) at -32.76 25.076 113.888 in (null):E-9999 (25) and CB(187) at -31.7921 24.0915 113.744 in (null):E-9999 (25) other bump:1.91306 Ang CD2(118) at -40.188 22.805 117.38 in (null):L-9999 (16) and OD1(167) at -40.7691 22.6353 115.565 in (null):N-9999 (22) Number of specific fragments= 1 total=432 Number of alignments=126 # Reading fragments from alignment file # T0136 read from T0136-1aisA-vit-adpstyle1.pw.a2m.gz # 1aisA read from T0136-1aisA-vit-adpstyle1.pw.a2m.gz # found chain 1aisA in template set T0136 28 :AEDDDAAELIAKKLLSFLPQ 1aisA 161 :AKSEADAWEAVRKLLRELDK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.92273 Ang O(112) at -50.46 28.466 70.482 in (null):L-9999 (15) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) self-bump: 1.27602 Ang N(139) at -48.808 27.45 68.187 in (null):P-9999 (19) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) other bump:2.84675 Ang C(113) at -50.367 28.931 71.622 in (null):L-9999 (15) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.38128 Ang N(131) at -46.876 28.504 69.954 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.40191 Ang CA(132) at -46.717 27.152 69.408 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.81077 Ang CB(133) at -47.02 26.081 70.47 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) neighbor-bump: 2.0742 Ang C(138) at -47.593 26.903 68.179 in (null):L-9999 (18) and CD(143) at -49.0538 27.7075 69.4124 in (null):P-9999 (19) other bump:1.41192 Ang O(112) at -50.46 28.466 70.482 in (null):L-9999 (15) and CG(142) at -50.5609 27.5321 69.4279 in (null):P-9999 (19) self-bump: 2.1492 Ang N(139) at -48.808 27.45 68.187 in (null):P-9999 (19) and CG(142) at -50.5609 27.5321 69.4279 in (null):P-9999 (19) other bump:2.60934 Ang C(113) at -50.367 28.931 71.622 in (null):L-9999 (15) and CG(142) at -50.5609 27.5321 69.4279 in (null):P-9999 (19) other bump:2.55632 Ang O(112) at -50.46 28.466 70.482 in (null):L-9999 (15) and CB(141) at -50.988 27.9102 68.0433 in (null):P-9999 (19) Number of specific fragments= 1 total=433 Number of alignments=127 # Reading fragments from alignment file # T0136 read from T0136-1aisA-vit-adpstyle5.pw.a2m.gz # 1aisA read from T0136-1aisA-vit-adpstyle5.pw.a2m.gz # found chain 1aisA in template set Number of specific fragments= 0 total=433 # command:# Prefix for input files set to 2e2c/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 2e2c-T0136-local-adpstyle1.pw.a2m.gz # 2e2c read from 2e2c-T0136-local-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 41 :LLSFLPQNNTEEASFVNPNNDVSPNTEL 2e2c 135 :LQSLLGEPNNASPLNAQAADMWSNQTEY Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.53752 Ang OD2(165) at 19.6304 59.7661 77.1478 in (null):D-9999 (21) and CD2(217) at 17.465 58.557 76.611 in (null):L-9999 (28) neighbor-bump: 2.71808 Ang OG(178) at 16.343 60.489 84.234 in (null):S-9999 (23) and CD(185) at 16.9277 62.0074 82.0567 in (null):P-9999 (24) self-bump: 1.37623 Ang CA(182) at 15.69 63.496 80.795 in (null):P-9999 (24) and CB(183) at 16.5979 64.2634 81.4884 in (null):P-9999 (24) other bump:2.26808 Ang CA(76) at 14.246 50.326 82.596 in (null):T-9999 (10) and ND2(148) at 15.9802 51.7775 82.4231 in (null):N-9999 (19) other bump:2.40847 Ang CG2(78) at 13.8505 52.7546 81.8661 in (null):T-9999 (10) and ND2(148) at 15.9802 51.7775 82.4231 in (null):N-9999 (19) other bump:2.0638 Ang CB(77) at 14.0269 51.8475 83.0858 in (null):T-9999 (10) and ND2(148) at 15.9802 51.7775 82.4231 in (null):N-9999 (19) self-bump: 1.34403 Ang CA(83) at 14.05 47.537 85.203 in (null):E-9999 (11) and CB(84) at 13.2823 46.5087 85.6027 in (null):E-9999 (11) neighbor-bump: 2.42591 Ang CA(36) at 11.148 52.279 71.539 in (null):L-9999 (5) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) neighbor-bump: 2.52016 Ang CB(37) at 11.27 52.746 70.081 in (null):L-9999 (5) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) neighbor-bump: 2.05632 Ang C(42) at 10.743 53.455 72.437 in (null):L-9999 (5) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) self-bump: 1.33532 Ang N(43) at 9.457 53.789 72.43 in (null):P-9999 (6) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) self-bump: 2.19568 Ang N(43) at 9.457 53.789 72.43 in (null):P-9999 (6) and CG(46) at 8.36794 54.8647 70.8559 in (null):P-9999 (6) Number of specific fragments= 1 total=434 Number of alignments=128 # Reading fragments from alignment file # T0136 read from 2e2c-T0136-local-adpstyle5.pw.a2m.gz # 2e2c read from 2e2c-T0136-local-adpstyle5.pw.a2m.gz # found chain 2e2c in template set Number of specific fragments= 0 total=434 # Reading fragments from alignment file # T0136 read from 2e2c-T0136-vit-adpstyle1.pw.a2m.gz # 2e2c read from 2e2c-T0136-vit-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 41 :LLSFLPQNNTEEASFVNPNNDVSPNTEL 2e2c 135 :LQSLLGEPNNASPLNAQAADMWSNQTEY Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.53752 Ang OD2(165) at 19.6304 59.7661 77.1478 in (null):D-9999 (21) and CD2(217) at 17.465 58.557 76.611 in (null):L-9999 (28) neighbor-bump: 2.71808 Ang OG(178) at 16.343 60.489 84.234 in (null):S-9999 (23) and CD(185) at 16.9277 62.0074 82.0567 in (null):P-9999 (24) self-bump: 1.37623 Ang CA(182) at 15.69 63.496 80.795 in (null):P-9999 (24) and CB(183) at 16.5979 64.2634 81.4884 in (null):P-9999 (24) other bump:2.26808 Ang CA(76) at 14.246 50.326 82.596 in (null):T-9999 (10) and ND2(148) at 15.9802 51.7775 82.4231 in (null):N-9999 (19) other bump:2.40847 Ang CG2(78) at 13.8505 52.7546 81.8661 in (null):T-9999 (10) and ND2(148) at 15.9802 51.7775 82.4231 in (null):N-9999 (19) other bump:2.0638 Ang CB(77) at 14.0269 51.8475 83.0858 in (null):T-9999 (10) and ND2(148) at 15.9802 51.7775 82.4231 in (null):N-9999 (19) self-bump: 1.34403 Ang CA(83) at 14.05 47.537 85.203 in (null):E-9999 (11) and CB(84) at 13.2823 46.5087 85.6027 in (null):E-9999 (11) neighbor-bump: 2.42591 Ang CA(36) at 11.148 52.279 71.539 in (null):L-9999 (5) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) neighbor-bump: 2.52016 Ang CB(37) at 11.27 52.746 70.081 in (null):L-9999 (5) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) neighbor-bump: 2.05632 Ang C(42) at 10.743 53.455 72.437 in (null):L-9999 (5) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) self-bump: 1.33532 Ang N(43) at 9.457 53.789 72.43 in (null):P-9999 (6) and CD(47) at 9.14968 53.5967 71.1448 in (null):P-9999 (6) self-bump: 2.19568 Ang N(43) at 9.457 53.789 72.43 in (null):P-9999 (6) and CG(46) at 8.36794 54.8647 70.8559 in (null):P-9999 (6) Number of specific fragments= 1 total=435 Number of alignments=129 # Reading fragments from alignment file # T0136 read from 2e2c-T0136-vit-adpstyle5.pw.a2m.gz # 2e2c read from 2e2c-T0136-vit-adpstyle5.pw.a2m.gz # found chain 2e2c in template set Number of specific fragments= 0 total=435 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDVT 2e2c 22 :MTTSKER Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 8 :ADELGGAEA 2e2c 36 :QQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 18 :MAISGNIHFVAED 2e2c 45 :SGDPGITAFPDGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAK 2e2c 109 :QSGNICLDILKENWTASYDVRTILLS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50617 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12544 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=441 Number of alignments=130 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDV 2e2c 22 :MTTSKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 8 :ADELGGAEA 2e2c 36 :QQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 18 :MAISGNIHFVAED 2e2c 45 :SGDPGITAFPDGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 66 :TELRDIVPIDGKKGYDVRDVIAK 2e2c 112 :NICLDILKENWTASYDVRTILLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.38746 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.50299 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.11887 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.6254 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):G-9999 (24) other bump:2.88786 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):G-9999 (24) other bump:2.95349 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and C(183) at 6.663 46.27 69.93 in (null):K-9999 (23) other bump:2.50617 Ang CD1(50) at 6.216 40.81 70.798 in (null):I-9999 (6) and CD(179) at 4.12544 42.1701 71.044 in (null):K-9999 (23) other bump:2.31764 Ang CB(39) at 7.815 40.386 77.478 in (null):D-9999 (5) and OD2(80) at 6.65897 38.6878 78.5509 in (null):D-9999 (10) other bump:3.16059 Ang C(44) at 8.442 38.811 75.634 in (null):D-9999 (5) and CB(77) at 6.18226 37.0224 76.9316 in (null):D-9999 (10) other bump:2.95269 Ang CD(30) at 8.98398 42.3092 71.623 in (null):R-9999 (4) and CG1(48) at 7.01 40.127 71.868 in (null):I-9999 (6) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=447 Number of alignments=131 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=449 Number of alignments=132 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 66 :TELRDIVPIDGKKGYDVRDVIAKI 2e2c 112 :NICLDILKENWTASYDVRTILLSL Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.66308 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.54836 Ang CD(13) at 13.1104 43.2379 70.6508 in (null):E-9999 (2) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:1.5687 Ang OE2(15) at 12.7704 44.2992 70.0832 in (null):E-9999 (2) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.96476 Ang NE(31) at 9.71562 42.9966 70.5623 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.1036 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:1.63468 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.78828 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CG2(188) at 10.037 46.0862 66.9269 in (null):I-9999 (24) other bump:2.37592 Ang OE2(15) at 12.7704 44.2992 70.0832 in (null):E-9999 (2) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:2.69803 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:1.5261 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:2.42989 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CB(186) at 10.0565 45.6879 68.411 in (null):I-9999 (24) other bump:1.34753 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CB(186) at 10.0565 45.6879 68.411 in (null):I-9999 (24) other bump:2.38746 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.50299 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.11887 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.6254 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):I-9999 (24) other bump:2.88786 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):I-9999 (24) other bump:2.95349 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and C(183) at 6.663 46.27 69.93 in (null):K-9999 (23) other bump:2.50615 Ang CD1(50) at 6.216 40.81 70.798 in (null):I-9999 (6) and CD(179) at 4.12545 42.1701 71.044 in (null):K-9999 (23) other bump:2.31764 Ang CB(39) at 7.815 40.386 77.478 in (null):D-9999 (5) and OD2(80) at 6.65897 38.6878 78.5509 in (null):D-9999 (10) other bump:3.16059 Ang C(44) at 8.442 38.811 75.634 in (null):D-9999 (5) and CB(77) at 6.18226 37.0224 76.9316 in (null):D-9999 (10) other bump:2.95269 Ang CD(30) at 8.98398 42.3092 71.623 in (null):R-9999 (4) and CG1(48) at 7.01 40.127 71.868 in (null):I-9999 (6) Number of specific fragments= 2 total=451 Number of alignments=133 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDV 2e2c 22 :MTTSKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 7 :TADELGGAEA 2e2c 35 :LQQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 18 :MAISGNIHFVAEDDD 2e2c 45 :SGDPGITAFPDGDNL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.27285 Ang CG1(73) at 11.1284 35.395 53.0692 in (null):V-9999 (10) and OD1(111) at 9.32196 32.9388 54.2587 in (null):D-9999 (15) other bump:3.02425 Ang CG1(73) at 11.1284 35.395 53.0692 in (null):V-9999 (10) and CA(108) at 12.187 32.606 53.566 in (null):D-9999 (15) other bump:2.67537 Ang CB(72) at 12.2711 36.1795 52.4019 in (null):V-9999 (10) and O(105) at 14.211 34.425 52.964 in (null):D-9999 (14) self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAK 2e2c 109 :QSGNICLDILKENWTASYDVRTILLS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50617 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12544 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=457 Number of alignments=134 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDV 2e2c 22 :MTTSKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 8 :ADELGGAEA 2e2c 36 :QQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 18 :MAISGNIHFVAEDD 2e2c 45 :SGDPGITAFPDGDN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.02425 Ang CG1(73) at 11.1284 35.395 53.0692 in (null):V-9999 (10) and CA(108) at 12.187 32.606 53.566 in (null):G-9999 (15) other bump:2.67537 Ang CB(72) at 12.2711 36.1795 52.4019 in (null):V-9999 (10) and O(105) at 14.211 34.425 52.964 in (null):D-9999 (14) self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 68 :LRDIVPIDGKKGYDVRDVIAK 2e2c 114 :CLDILKENWTASYDVRTILLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.38746 Ang NH1(17) at 9.05702 45.1071 71.2104 in (null):R-9999 (2) and CA(169) at 8.994 46.387 69.196 in (null):G-9999 (22) other bump:2.50299 Ang CZ(16) at 9.7337 44.3151 70.3898 in (null):R-9999 (2) and CA(169) at 8.994 46.387 69.196 in (null):G-9999 (22) other bump:2.11886 Ang NH2(18) at 10.4311 44.8422 69.391 in (null):R-9999 (2) and CA(169) at 8.994 46.387 69.196 in (null):G-9999 (22) other bump:2.6254 Ang NH1(17) at 9.05702 45.1071 71.2104 in (null):R-9999 (2) and N(168) at 7.642 45.857 69.13 in (null):G-9999 (22) other bump:2.88785 Ang CZ(16) at 9.7337 44.3151 70.3898 in (null):R-9999 (2) and N(168) at 7.642 45.857 69.13 in (null):G-9999 (22) other bump:2.95349 Ang NH1(17) at 9.05702 45.1071 71.2104 in (null):R-9999 (2) and C(167) at 6.663 46.27 69.93 in (null):K-9999 (21) other bump:2.50617 Ang CD1(34) at 6.216 40.81 70.798 in (null):I-9999 (4) and CD(163) at 4.12544 42.1701 71.044 in (null):K-9999 (21) other bump:2.31764 Ang CB(23) at 7.815 40.386 77.478 in (null):D-9999 (3) and OD2(64) at 6.65897 38.6878 78.5509 in (null):D-9999 (8) other bump:3.16059 Ang C(28) at 8.442 38.811 75.634 in (null):D-9999 (3) and CB(61) at 6.18226 37.0224 76.9316 in (null):D-9999 (8) other bump:2.95269 Ang CD(14) at 8.98397 42.3092 71.623 in (null):R-9999 (2) and CG1(32) at 7.01 40.127 71.868 in (null):I-9999 (4) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=463 Number of alignments=135 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=465 Number of alignments=136 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 68 :LRDIVPIDGKKGYDVRDVIAKI 2e2c 114 :CLDILKENWTASYDVRTILLSL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.66309 Ang NH1(17) at 9.05702 45.1071 71.2104 in (null):R-9999 (2) and CD1(173) at 11.6016 45.2812 70.4443 in (null):I-9999 (22) other bump:2.96476 Ang NE(15) at 9.71562 42.9967 70.5623 in (null):R-9999 (2) and CD1(173) at 11.6016 45.2812 70.4443 in (null):I-9999 (22) other bump:2.10361 Ang CZ(16) at 9.7337 44.3151 70.3898 in (null):R-9999 (2) and CD1(173) at 11.6016 45.2812 70.4443 in (null):I-9999 (22) other bump:1.63469 Ang NH2(18) at 10.4311 44.8422 69.391 in (null):R-9999 (2) and CD1(173) at 11.6016 45.2812 70.4443 in (null):I-9999 (22) other bump:2.78827 Ang NH2(18) at 10.4311 44.8422 69.391 in (null):R-9999 (2) and CG2(172) at 10.037 46.0862 66.9269 in (null):I-9999 (22) other bump:2.69803 Ang CZ(16) at 9.7337 44.3151 70.3898 in (null):R-9999 (2) and CG1(171) at 11.4124 45.967 69.0736 in (null):I-9999 (22) other bump:1.52611 Ang NH2(18) at 10.4311 44.8422 69.391 in (null):R-9999 (2) and CG1(171) at 11.4124 45.967 69.0736 in (null):I-9999 (22) other bump:2.42989 Ang CZ(16) at 9.7337 44.3151 70.3898 in (null):R-9999 (2) and CB(170) at 10.0565 45.6879 68.411 in (null):I-9999 (22) other bump:1.34752 Ang NH2(18) at 10.4311 44.8422 69.391 in (null):R-9999 (2) and CB(170) at 10.0565 45.6879 68.411 in (null):I-9999 (22) other bump:2.38746 Ang NH1(17) at 9.05702 45.1071 71.2104 in (null):R-9999 (2) and CA(169) at 8.994 46.387 69.196 in (null):I-9999 (22) other bump:2.50299 Ang CZ(16) at 9.7337 44.3151 70.3898 in (null):R-9999 (2) and CA(169) at 8.994 46.387 69.196 in (null):I-9999 (22) other bump:2.11886 Ang NH2(18) at 10.4311 44.8422 69.391 in (null):R-9999 (2) and CA(169) at 8.994 46.387 69.196 in (null):I-9999 (22) other bump:2.6254 Ang NH1(17) at 9.05702 45.1071 71.2104 in (null):R-9999 (2) and N(168) at 7.642 45.857 69.13 in (null):I-9999 (22) other bump:2.88785 Ang CZ(16) at 9.7337 44.3151 70.3898 in (null):R-9999 (2) and N(168) at 7.642 45.857 69.13 in (null):I-9999 (22) other bump:2.95349 Ang NH1(17) at 9.05702 45.1071 71.2104 in (null):R-9999 (2) and C(167) at 6.663 46.27 69.93 in (null):K-9999 (21) other bump:2.50615 Ang CD1(34) at 6.216 40.81 70.798 in (null):I-9999 (4) and CD(163) at 4.12545 42.1701 71.044 in (null):K-9999 (21) other bump:2.31764 Ang CB(23) at 7.815 40.386 77.478 in (null):D-9999 (3) and OD2(64) at 6.65897 38.6878 78.5509 in (null):D-9999 (8) other bump:3.16059 Ang C(28) at 8.442 38.811 75.634 in (null):D-9999 (3) and CB(61) at 6.18226 37.0224 76.9316 in (null):D-9999 (8) other bump:2.95269 Ang CD(14) at 8.98397 42.3092 71.623 in (null):R-9999 (2) and CG1(32) at 7.01 40.127 71.868 in (null):I-9999 (4) Number of specific fragments= 2 total=467 Number of alignments=137 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDV 2e2c 22 :MTTSKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 7 :TADELGGAEA 2e2c 35 :LQQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 18 :MAISGNIHFVAED 2e2c 45 :SGDPGITAFPDGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAK 2e2c 109 :QSGNICLDILKENWTASYDVRTILLS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):G-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):G-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50617 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12544 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=473 Number of alignments=138 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 1 :VTGEDV 2e2c 22 :MTTSKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.80869 Ang OD1(31) at -9.20669 20.651 57.2413 in (null):D-9999 (4) and CG2(39) at -7.73722 21.9277 59.266 in (null):V-9999 (5) neighbor-bump: 2.17551 Ang O(16) at -6.028 15.274 50.941 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) neighbor-bump: 2.77691 Ang C(17) at -6.965 15.57 51.69 in (null):G-9999 (2) and CG(21) at -5.29088 17.1611 50.1482 in (null):E-9999 (3) T0136 8 :ADELGGAEA 2e2c 36 :QQELRTLLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 18 :MAISGNIHFVAEDDD 2e2c 45 :SGDPGITAFPDGDNL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:3.27285 Ang CG1(73) at 11.1284 35.395 53.0692 in (null):V-9999 (10) and OD1(111) at 9.32196 32.9388 54.2587 in (null):D-9999 (15) other bump:3.02425 Ang CG1(73) at 11.1284 35.395 53.0692 in (null):V-9999 (10) and CA(108) at 12.187 32.606 53.566 in (null):D-9999 (15) other bump:2.67537 Ang CB(72) at 12.2711 36.1795 52.4019 in (null):V-9999 (10) and O(105) at 14.211 34.425 52.964 in (null):D-9999 (14) self-bump: 1.32629 Ang CA(83) at 15.564 37.514 49.111 in (null):E-9999 (12) and CB(84) at 16.4605 37.9084 48.2167 in (null):E-9999 (12) neighbor-bump: 2.69352 Ang C(9) at -1.899 46.38 56.776 in (null):M-9999 (1) and CB(12) at -1.49005 48.2181 54.8501 in (null):A-9999 (2) T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 66 :TELRDIVPIDGKKGYDVRDVIAK 2e2c 112 :NICLDILKENWTASYDVRTILLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.38746 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.50299 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.11887 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):G-9999 (24) other bump:2.6254 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):G-9999 (24) other bump:2.88786 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):G-9999 (24) other bump:2.95349 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and C(183) at 6.663 46.27 69.93 in (null):K-9999 (23) other bump:2.50617 Ang CD1(50) at 6.216 40.81 70.798 in (null):I-9999 (6) and CD(179) at 4.12544 42.1701 71.044 in (null):K-9999 (23) other bump:2.31764 Ang CB(39) at 7.815 40.386 77.478 in (null):D-9999 (5) and OD2(80) at 6.65897 38.6878 78.5509 in (null):D-9999 (10) other bump:3.16059 Ang C(44) at 8.442 38.811 75.634 in (null):D-9999 (5) and CB(77) at 6.18226 37.0224 76.9316 in (null):D-9999 (10) other bump:2.95269 Ang CD(30) at 8.98398 42.3092 71.623 in (null):R-9999 (4) and CG1(48) at 7.01 40.127 71.868 in (null):I-9999 (6) T0136 95 :YLEVKAGYAT 2e2c 167 :HEKYKTAQSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 6 total=479 Number of alignments=139 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=481 Number of alignments=140 # Reading fragments from alignment file # T0136 read from T0136-2e2c-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDVSPN 2e2c 85 :FPSDYPYKPPVVKFTTPCWHP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.39938 Ang CA(156) at 17.528 50.667 77.321 in (null):N-9999 (21) and CB(157) at 16.9006 51.055 78.5102 in (null):N-9999 (21) other bump:2.02084 Ang O(140) at 20.355 50.539 70.597 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:2.19779 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.36931 Ang N(142) at 20.258 52.742 70.079 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 2.35937 Ang CA(143) at 20.575 53.195 71.429 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) neighbor-bump: 1.7584 Ang C(147) at 19.232 53.175 72.141 in (null):S-9999 (19) and CD(152) at 18.9125 51.5303 71.6071 in (null):P-9999 (20) other bump:3.05259 Ang CG1(138) at 17.284 51.029 68.8293 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) other bump:3.25466 Ang C(141) at 20.137 51.446 69.784 in (null):V-9999 (18) and CG(151) at 17.7402 50.6002 71.817 in (null):P-9999 (20) self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 66 :TELRDIVPIDGKKGYDVRDVIAKI 2e2c 112 :NICLDILKENWTASYDVRTILLSL Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.66308 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.54836 Ang CD(13) at 13.1104 43.2379 70.6508 in (null):E-9999 (2) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:1.5687 Ang OE2(15) at 12.7704 44.2992 70.0832 in (null):E-9999 (2) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.96476 Ang NE(31) at 9.71562 42.9966 70.5623 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.1036 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:1.63468 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CD1(189) at 11.6016 45.2812 70.4443 in (null):I-9999 (24) other bump:2.78828 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CG2(188) at 10.037 46.0862 66.9269 in (null):I-9999 (24) other bump:2.37592 Ang OE2(15) at 12.7704 44.2992 70.0832 in (null):E-9999 (2) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:2.69803 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:1.5261 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CG1(187) at 11.4124 45.967 69.0736 in (null):I-9999 (24) other bump:2.42989 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CB(186) at 10.0565 45.6879 68.411 in (null):I-9999 (24) other bump:1.34753 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CB(186) at 10.0565 45.6879 68.411 in (null):I-9999 (24) other bump:2.38746 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.50299 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.11887 Ang NH2(34) at 10.4311 44.8422 69.391 in (null):R-9999 (4) and CA(185) at 8.994 46.387 69.196 in (null):I-9999 (24) other bump:2.6254 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):I-9999 (24) other bump:2.88786 Ang CZ(32) at 9.73371 44.3151 70.3898 in (null):R-9999 (4) and N(184) at 7.642 45.857 69.13 in (null):I-9999 (24) other bump:2.95349 Ang NH1(33) at 9.05702 45.1071 71.2104 in (null):R-9999 (4) and C(183) at 6.663 46.27 69.93 in (null):K-9999 (23) other bump:2.50615 Ang CD1(50) at 6.216 40.81 70.798 in (null):I-9999 (6) and CD(179) at 4.12545 42.1701 71.044 in (null):K-9999 (23) other bump:2.31764 Ang CB(39) at 7.815 40.386 77.478 in (null):D-9999 (5) and OD2(80) at 6.65897 38.6878 78.5509 in (null):D-9999 (10) other bump:3.16059 Ang C(44) at 8.442 38.811 75.634 in (null):D-9999 (5) and CB(77) at 6.18226 37.0224 76.9316 in (null):D-9999 (10) other bump:2.95269 Ang CD(30) at 8.98398 42.3092 71.623 in (null):R-9999 (4) and CG1(48) at 7.01 40.127 71.868 in (null):I-9999 (6) Number of specific fragments= 2 total=483 Number of alignments=141 # Reading fragments from alignment file # T0136 read from T0136-2e2c-local-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-local-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=485 Number of alignments=142 # Reading fragments from alignment file # T0136 read from T0136-2e2c-local-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-local-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 42 :LSFLPQNNTEEASFVNPNNDV 2e2c 82 :TLEFPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38851 Ang CA(137) at 21.268 45.749 62.103 in (null):N-9999 (18) and CB(138) at 21.3647 45.4108 60.7598 in (null):N-9999 (18) other bump:2.51758 Ang CE1(109) at 20.1111 37.3956 66.7985 in (null):F-9999 (14) and OD1(126) at 19.5062 39.6753 67.679 in (null):N-9999 (16) other bump:1.99451 Ang CD1(107) at 19.0189 36.7503 66.2573 in (null):F-9999 (14) and ND2(125) at 19.7467 38.5406 65.7642 in (null):N-9999 (16) other bump:1.58538 Ang CE1(109) at 20.1111 37.3956 66.7985 in (null):F-9999 (14) and ND2(125) at 19.7467 38.5406 65.7642 in (null):N-9999 (16) other bump:2.87107 Ang CZ(111) at 20.6025 37.0327 68.0526 in (null):F-9999 (14) and ND2(125) at 19.7467 38.5406 65.7642 in (null):N-9999 (16) other bump:2.3453 Ang CE1(109) at 20.1111 37.3956 66.7985 in (null):F-9999 (14) and CG(124) at 19.6306 39.6647 66.4506 in (null):N-9999 (16) other bump:2.61576 Ang CG(54) at 11.772 23.6918 66.9704 in (null):N-9999 (7) and OE2(89) at 12.5595 24.9288 69.1365 in (null):E-9999 (11) other bump:1.83045 Ang OD1(56) at 12.7918 24.0369 67.555 in (null):N-9999 (7) and OE2(89) at 12.5595 24.9288 69.1365 in (null):E-9999 (11) other bump:2.73372 Ang OD1(56) at 12.7918 24.0369 67.555 in (null):N-9999 (7) and CD(87) at 12.5316 26.1846 69.2262 in (null):E-9999 (11) neighbor-bump: 2.45669 Ang OD1(64) at 7.1216 30.1138 62.9294 in (null):N-9999 (8) and OG1(71) at 4.69527 30.0687 63.3119 in (null):T-9999 (9) neighbor-bump: 2.76705 Ang OD1(64) at 7.1216 30.1138 62.9294 in (null):N-9999 (8) and CA(68) at 6.007 29.217 65.298 in (null):T-9999 (9) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=487 Number of alignments=143 # Reading fragments from alignment file # T0136 read from T0136-2e2c-simpleSW-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-simpleSW-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 57 :NPNNDVSPNTEL 2e2c 104 :HPNVDQSGNICL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.66263 Ang OD1(30) at 19.2166 45.3266 70.8309 in (null):N-9999 (4) and C(68) at 19.095 42.713 71.325 in (null):N-9999 (9) other bump:1.90386 Ang OD1(30) at 19.2166 45.3266 70.8309 in (null):N-9999 (4) and O(67) at 19.345 43.764 71.911 in (null):N-9999 (9) other bump:2.84991 Ang OD1(30) at 19.2166 45.3266 70.8309 in (null):N-9999 (4) and C(60) at 20.636 43.733 68.942 in (null):P-9999 (8) neighbor-bump: 0.783979 Ang O(52) at 23.729 43.336 67.343 in (null):S-9999 (7) and CD(58) at 23.579 44.0539 67.62 in (null):P-9999 (8) neighbor-bump: 0.816276 Ang C(53) at 23.897 43.989 68.369 in (null):S-9999 (7) and CD(58) at 23.579 44.0539 67.62 in (null):P-9999 (8) self-bump: 2.2169 Ang CA(55) at 21.605 44.743 68.357 in (null):P-9999 (8) and CD(58) at 23.579 44.0539 67.62 in (null):P-9999 (8) neighbor-bump: 2.21257 Ang CA(49) at 25.252 44.001 69.067 in (null):S-9999 (7) and CD(58) at 23.579 44.0539 67.62 in (null):P-9999 (8) neighbor-bump: 2.05987 Ang O(52) at 23.729 43.336 67.343 in (null):S-9999 (7) and CG(57) at 23.1856 45.2452 66.7926 in (null):P-9999 (8) neighbor-bump: 2.1375 Ang C(53) at 23.897 43.989 68.369 in (null):S-9999 (7) and CG(57) at 23.1856 45.2452 66.7926 in (null):P-9999 (8) T0136 70 :DIVPIDGKKGYDVRDVIAKI 2e2c 116 :DILKENWTASYDVRTILLSL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.50615 Ang CD1(15) at 6.216 40.81 70.798 in (null):I-9999 (2) and CD(144) at 4.12545 42.1701 71.044 in (null):K-9999 (19) other bump:2.31764 Ang CB(4) at 7.815 40.386 77.478 in (null):D-9999 (1) and OD2(45) at 6.65897 38.6878 78.5509 in (null):D-9999 (6) other bump:3.16059 Ang C(9) at 8.442 38.811 75.634 in (null):D-9999 (1) and CB(42) at 6.18226 37.0224 76.9316 in (null):D-9999 (6) Number of specific fragments= 2 total=489 Number of alignments=144 # Reading fragments from alignment file # T0136 read from T0136-2e2c-simpleSW-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-simpleSW-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 54 :SFVNPNNDVSPNTEL 2e2c 101 :PCWHPNVDQSGNICL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.66263 Ang OD1(54) at 19.2166 45.3266 70.8309 in (null):N-9999 (7) and C(92) at 19.095 42.713 71.325 in (null):N-9999 (12) other bump:1.90386 Ang OD1(54) at 19.2166 45.3266 70.8309 in (null):N-9999 (7) and O(91) at 19.345 43.764 71.911 in (null):N-9999 (12) other bump:2.84991 Ang OD1(54) at 19.2166 45.3266 70.8309 in (null):N-9999 (7) and C(84) at 20.636 43.733 68.942 in (null):P-9999 (11) neighbor-bump: 0.783979 Ang O(76) at 23.729 43.336 67.343 in (null):S-9999 (10) and CD(82) at 23.579 44.0539 67.62 in (null):P-9999 (11) neighbor-bump: 0.816276 Ang C(77) at 23.897 43.989 68.369 in (null):S-9999 (10) and CD(82) at 23.579 44.0539 67.62 in (null):P-9999 (11) self-bump: 2.2169 Ang CA(79) at 21.605 44.743 68.357 in (null):P-9999 (11) and CD(82) at 23.579 44.0539 67.62 in (null):P-9999 (11) neighbor-bump: 2.21257 Ang CA(73) at 25.252 44.001 69.067 in (null):S-9999 (10) and CD(82) at 23.579 44.0539 67.62 in (null):P-9999 (11) neighbor-bump: 2.05987 Ang O(76) at 23.729 43.336 67.343 in (null):S-9999 (10) and CG(81) at 23.1856 45.2452 66.7926 in (null):P-9999 (11) neighbor-bump: 2.1375 Ang C(77) at 23.897 43.989 68.369 in (null):S-9999 (10) and CG(81) at 23.1856 45.2452 66.7926 in (null):P-9999 (11) T0136 70 :DIVPIDGKKGYDVRDVIAK 2e2c 116 :DILKENWTASYDVRTILLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.50617 Ang CD1(15) at 6.216 40.81 70.798 in (null):I-9999 (2) and CD(144) at 4.12544 42.1701 71.044 in (null):K-9999 (19) other bump:2.31764 Ang CB(4) at 7.815 40.386 77.478 in (null):D-9999 (1) and OD2(45) at 6.65897 38.6878 78.5509 in (null):D-9999 (6) other bump:3.16059 Ang C(9) at 8.442 38.811 75.634 in (null):D-9999 (1) and CB(42) at 6.18226 37.0224 76.9316 in (null):D-9999 (6) Number of specific fragments= 2 total=491 Number of alignments=145 # Reading fragments from alignment file # T0136 read from T0136-2e2c-vit-adpstyle1.pw.a2m.gz # 2e2c read from T0136-2e2c-vit-adpstyle1.pw.a2m.gz # found chain 2e2c in template set T0136 45 :LPQNNTEEASFVNPNNDV 2e2c 85 :FPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.38851 Ang CA(112) at 21.268 45.749 62.103 in (null):N-9999 (15) and CB(113) at 21.3647 45.4108 60.7598 in (null):N-9999 (15) other bump:2.51758 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and OD1(101) at 19.5062 39.6753 67.679 in (null):N-9999 (13) other bump:1.99451 Ang CD1(82) at 19.0189 36.7503 66.2573 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:1.58538 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.87107 Ang CZ(86) at 20.6025 37.0327 68.0526 in (null):F-9999 (11) and ND2(100) at 19.7467 38.5406 65.7642 in (null):N-9999 (13) other bump:2.3453 Ang CE1(84) at 20.1111 37.3956 66.7985 in (null):F-9999 (11) and CG(99) at 19.6306 39.6647 66.4506 in (null):N-9999 (13) other bump:2.61576 Ang CG(29) at 11.772 23.6918 66.9704 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:1.83045 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and OE2(64) at 12.5595 24.9288 69.1365 in (null):E-9999 (8) other bump:2.73372 Ang OD1(31) at 12.7918 24.0369 67.555 in (null):N-9999 (4) and CD(62) at 12.5316 26.1846 69.2262 in (null):E-9999 (8) neighbor-bump: 2.45669 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and OG1(46) at 4.69527 30.0687 63.3119 in (null):T-9999 (6) neighbor-bump: 2.76705 Ang OD1(39) at 7.1216 30.1138 62.9294 in (null):N-9999 (5) and CA(43) at 6.007 29.217 65.298 in (null):T-9999 (6) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=493 Number of alignments=146 # Reading fragments from alignment file # T0136 read from T0136-2e2c-vit-adpstyle5.pw.a2m.gz # 2e2c read from T0136-2e2c-vit-adpstyle5.pw.a2m.gz # found chain 2e2c in template set T0136 42 :LSFLPQNNTEEASFVNPNNDV 2e2c 82 :TLEFPSDYPYKPPVVKFTTPC Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38851 Ang CA(137) at 21.268 45.749 62.103 in (null):N-9999 (18) and CB(138) at 21.3647 45.4108 60.7598 in (null):N-9999 (18) other bump:2.51758 Ang CE1(109) at 20.1111 37.3956 66.7985 in (null):F-9999 (14) and OD1(126) at 19.5062 39.6753 67.679 in (null):N-9999 (16) other bump:1.99451 Ang CD1(107) at 19.0189 36.7503 66.2573 in (null):F-9999 (14) and ND2(125) at 19.7467 38.5406 65.7642 in (null):N-9999 (16) other bump:1.58538 Ang CE1(109) at 20.1111 37.3956 66.7985 in (null):F-9999 (14) and ND2(125) at 19.7467 38.5406 65.7642 in (null):N-9999 (16) other bump:2.87107 Ang CZ(111) at 20.6025 37.0327 68.0526 in (null):F-9999 (14) and ND2(125) at 19.7467 38.5406 65.7642 in (null):N-9999 (16) other bump:2.3453 Ang CE1(109) at 20.1111 37.3956 66.7985 in (null):F-9999 (14) and CG(124) at 19.6306 39.6647 66.4506 in (null):N-9999 (16) other bump:2.61576 Ang CG(54) at 11.772 23.6918 66.9704 in (null):N-9999 (7) and OE2(89) at 12.5595 24.9288 69.1365 in (null):E-9999 (11) other bump:1.83045 Ang OD1(56) at 12.7918 24.0369 67.555 in (null):N-9999 (7) and OE2(89) at 12.5595 24.9288 69.1365 in (null):E-9999 (11) other bump:2.73372 Ang OD1(56) at 12.7918 24.0369 67.555 in (null):N-9999 (7) and CD(87) at 12.5316 26.1846 69.2262 in (null):E-9999 (11) neighbor-bump: 2.45669 Ang OD1(64) at 7.1216 30.1138 62.9294 in (null):N-9999 (8) and OG1(71) at 4.69527 30.0687 63.3119 in (null):T-9999 (9) neighbor-bump: 2.76705 Ang OD1(64) at 7.1216 30.1138 62.9294 in (null):N-9999 (8) and CA(68) at 6.007 29.217 65.298 in (null):T-9999 (9) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKI 2e2c 109 :QSGNICLDILKENWTASYDVRTILLSL Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.96476 Ang NE(52) at 9.71563 42.9967 70.5623 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.1036 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.66308 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.54836 Ang CD(34) at 13.1104 43.2379 70.6508 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.5687 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:1.63468 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CD1(210) at 11.6016 45.2812 70.4443 in (null):I-9999 (27) other bump:2.78828 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG2(209) at 10.037 46.0862 66.9269 in (null):I-9999 (27) other bump:2.69802 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.37593 Ang OE2(36) at 12.7704 44.2992 70.0832 in (null):E-9999 (5) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:1.5261 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CG1(208) at 11.4124 45.967 69.0736 in (null):I-9999 (27) other bump:2.42989 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:1.34753 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CB(207) at 10.0565 45.6879 68.411 in (null):I-9999 (27) other bump:2.50299 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.38746 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.11887 Ang NH2(55) at 10.4311 44.8422 69.391 in (null):R-9999 (7) and CA(206) at 8.994 46.387 69.196 in (null):I-9999 (27) other bump:2.88786 Ang CZ(53) at 9.73371 44.3151 70.3898 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.62541 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and N(205) at 7.642 45.857 69.13 in (null):I-9999 (27) other bump:2.9535 Ang NH1(54) at 9.05703 45.1071 71.2104 in (null):R-9999 (7) and C(204) at 6.663 46.27 69.93 in (null):K-9999 (26) other bump:2.50615 Ang CD1(71) at 6.216 40.81 70.798 in (null):I-9999 (9) and CD(200) at 4.12545 42.1701 71.044 in (null):K-9999 (26) other bump:2.31764 Ang CB(60) at 7.815 40.386 77.478 in (null):D-9999 (8) and OD2(101) at 6.65897 38.6878 78.5509 in (null):D-9999 (13) other bump:3.16059 Ang C(65) at 8.442 38.811 75.634 in (null):D-9999 (8) and CB(98) at 6.18226 37.0224 76.9316 in (null):D-9999 (13) other bump:2.95269 Ang CD(51) at 8.98398 42.3091 71.623 in (null):R-9999 (7) and CG1(69) at 7.01 40.127 71.868 in (null):I-9999 (9) self-bump: 1.35169 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.41981 Ang N(2) at 24.709 46.698 72.252 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.39681 Ang OG(5) at 27.5465 46.2009 72.0972 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) neighbor-bump: 2.11873 Ang C(7) at 25.553 46.27 69.924 in (null):S-9999 (1) and CD(12) at 25.8019 44.732 71.3599 in (null):P-9999 (2) self-bump: 2.21372 Ang N(8) at 25.279 44.988 70.14 in (null):P-9999 (2) and CG(11) at 26.3877 43.3505 71.135 in (null):P-9999 (2) Number of specific fragments= 2 total=495 Number of alignments=147 # command:# Prefix for input files set to 1kk1A/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1kk1A-T0136-local-adpstyle1.pw.a2m.gz # 1kk1A read from 1kk1A-T0136-local-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTE 1kk1A 151 :DKEKALENYRQIKEFIEGTVAE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 68 :LRDIVPIDGKKGYDVRDVIAKIVDW 1kk1A 173 :NAPIIPISALHGANIDVLVKAIEDF Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.52306 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CZ2(200) at 3.16315 -22.9593 5.97228 in (null):W-9999 (25) other bump:2.76411 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.72378 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.78357 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79067 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.7259 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79522 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.83894 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.21734 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.54508 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.08237 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.74681 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.52397 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:1.20201 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:0.568722 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:2.51729 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.08363 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:1.44451 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.14468 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) neighbor-bump: 2.76222 Ang CD1(97) at -15.174 -28.2024 11.5939 in (null):Y-9999 (13) and OD2(110) at -12.8573 -28.7987 10.213 in (null):D-9999 (14) other bump:2.30648 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CG(83) at -20.6089 -24.7488 16.2736 in (null):K-9999 (11) other bump:2.6441 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CB(82) at -19.3756 -25.5656 16.6989 in (null):K-9999 (11) Number of specific fragments= 2 total=497 Number of alignments=148 # Reading fragments from alignment file # T0136 read from 1kk1A-T0136-local-adpstyle5.pw.a2m.gz # 1kk1A read from 1kk1A-T0136-local-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTE 1kk1A 151 :DKEKALENYRQIKEFIEGTVAE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 68 :LRDIVPIDGKKGYDVRDVIAKIVDWGDY 1kk1A 173 :NAPIIPISALHGANIDVLVKAIEDFIPT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.15386 Ang O(181) at 5.197 -23.682 14.818 in (null):V-9999 (23) and OD1(213) at 7.13859 -22.7705 14.6217 in (null):D-9999 (27) other bump:3.52305 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CZ2(200) at 3.16315 -22.9593 5.97228 in (null):W-9999 (25) other bump:2.76411 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.72378 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.78357 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79067 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.7259 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79522 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.83894 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.21733 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.54507 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.08237 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.74681 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.52397 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:1.20201 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:0.568722 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:2.51729 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.08363 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:1.44451 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.14468 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) neighbor-bump: 2.76222 Ang CD1(97) at -15.174 -28.2024 11.5939 in (null):Y-9999 (13) and OD2(110) at -12.8573 -28.7987 10.213 in (null):D-9999 (14) other bump:2.30648 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CG(83) at -20.6089 -24.7488 16.2736 in (null):K-9999 (11) other bump:2.6441 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CB(82) at -19.3756 -25.5656 16.6989 in (null):K-9999 (11) Number of specific fragments= 2 total=499 Number of alignments=149 # Reading fragments from alignment file # T0136 read from 1kk1A-T0136-vit-adpstyle1.pw.a2m.gz # 1kk1A read from 1kk1A-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTE 1kk1A 151 :DKEKALENYRQIKEFIEGTVAE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 68 :LRDIVPIDGKKGYDVRDVIAKIVDW 1kk1A 173 :NAPIIPISALHGANIDVLVKAIEDF Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.52306 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CZ2(200) at 3.16315 -22.9593 5.97228 in (null):W-9999 (25) other bump:2.76411 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.72378 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.78357 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79067 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.7259 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79522 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.83894 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.21734 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.54508 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.08237 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.74681 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.52397 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:1.20201 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:0.568722 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:2.51729 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.08363 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:1.44451 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.14468 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) neighbor-bump: 2.76222 Ang CD1(97) at -15.174 -28.2024 11.5939 in (null):Y-9999 (13) and OD2(110) at -12.8573 -28.7987 10.213 in (null):D-9999 (14) other bump:2.30648 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CG(83) at -20.6089 -24.7488 16.2736 in (null):K-9999 (11) other bump:2.6441 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CB(82) at -19.3756 -25.5656 16.6989 in (null):K-9999 (11) Number of specific fragments= 2 total=501 Number of alignments=150 # Reading fragments from alignment file # T0136 read from 1kk1A-T0136-vit-adpstyle5.pw.a2m.gz # 1kk1A read from 1kk1A-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTE 1kk1A 151 :DKEKALENYRQIKEFIEGTVAE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 68 :LRDIVPIDGKKGYDVRDVIAKIVDWGDY 1kk1A 173 :NAPIIPISALHGANIDVLVKAIEDFIPT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.15386 Ang O(181) at 5.197 -23.682 14.818 in (null):V-9999 (23) and OD1(213) at 7.13859 -22.7705 14.6217 in (null):D-9999 (27) other bump:3.52305 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CZ2(200) at 3.16315 -22.9593 5.97228 in (null):W-9999 (25) other bump:2.76411 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.72378 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:1.78357 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79067 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.7259 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and NE1(199) at 1.57569 -23.1365 7.88704 in (null):W-9999 (25) other bump:2.79522 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.83894 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CE2(197) at 2.61813 -22.5911 7.19851 in (null):W-9999 (25) other bump:2.21733 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.54507 Ang NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.08237 Ang CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.74681 Ang CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) and CD1(195) at 1.39291 -22.438 9.06044 in (null):W-9999 (25) other bump:2.52397 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:1.20201 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:0.568722 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and NZ(165) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (21) other bump:2.51729 Ang CB(23) at -2.228 -22.4537 6.63887 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.08363 Ang CG(24) at -0.831853 -23.0379 6.53268 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:1.44451 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CE(164) at -1.03111 -23.6139 8.52519 in (null):K-9999 (21) other bump:2.14468 Ang OD2(26) at -0.114388 -23.058 7.55704 in (null):D-9999 (3) and CD(163) at -0.573159 -22.8096 9.6373 in (null):K-9999 (21) neighbor-bump: 2.76222 Ang CD1(97) at -15.174 -28.2024 11.5939 in (null):Y-9999 (13) and OD2(110) at -12.8573 -28.7987 10.213 in (null):D-9999 (14) other bump:2.30648 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CG(83) at -20.6089 -24.7488 16.2736 in (null):K-9999 (11) other bump:2.6441 Ang OD2(64) at -19.4442 -24.4415 14.3067 in (null):D-9999 (8) and CB(82) at -19.3756 -25.5656 16.6989 in (null):K-9999 (11) Number of specific fragments= 2 total=503 Number of alignments=151 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 19 :AISGNIHFVAEDDDAAELIAKKLLSFLPQ 1kk1A 7 :RQAEVNIGMVGHVDHGKTTLTKALTGVWT Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.2757 Ang O(196) at -12.407 -21.855 28.897 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.47116 Ang CA(199) at -12.634 -19.108 28.623 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.0139 Ang C(205) at -14.07 -19.045 28.11 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.90527 Ang C(197) at -11.751 -21.295 28.017 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.2073 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.31954 Ang N(74) at -9.323 -9.083 11.688 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.60319 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.76371 Ang CA(70) at -7.528 -9.434 13.271 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:3.14986 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and CD(121) at -10.4479 -9.71721 14.979 in (null):E-9999 (17) other bump:3.01357 Ang CD(78) at -11.8393 -12.6077 12.6414 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.76922 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:3.08805 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.94748 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CB(119) at -11.4505 -11.4787 16.5054 in (null):E-9999 (17) other bump:2.85122 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and CA(118) at -12.065 -12.839 16.559 in (null):E-9999 (17) other bump:2.35292 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and N(117) at -13.326 -12.999 15.824 in (null):E-9999 (17) neighbor-bump: 1.62933 Ang O(110) at -15.614 -14.596 12.364 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.20753 Ang C(111) at -15.794 -13.463 12.794 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.45264 Ang O(72) at -8.931 -11.182 12.395 in (null):A-9999 (10) and CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) T0136 52 :EASFVNPNNDV 1kk1A 40 :EELRRGITIKI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.88902 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and N(79) at -4.817 -2.365 24.113 in (null):V-9999 (11) other bump:3.10502 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.49805 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.67515 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:1.93008 Ang ND2(44) at -1.86897 -0.0662479 25.1721 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.94034 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.34923 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.88974 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:2.90579 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and N(63) at -2.987 2.444 24.077 in (null):N-9999 (9) self-bump: 1.27353 Ang CA(56) at -3.186 4.354 25.574 in (null):N-9999 (8) and CB(57) at -2.05516 4.88344 25.3234 in (null):N-9999 (8) other bump:2.2212 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and N(55) at -3.734 3.486 26.617 in (null):N-9999 (8) T0136 63 :SPNTELRDIVPIDGKKGYDV 1kk1A 60 :CPNCGRYSTSPVCPYCGHET Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.16796 Ang CD1(93) at -6.74432 -34.6578 31.4123 in (null):I-9999 (12) and OD1(146) at -4.87108 -35.7434 31.524 in (null):D-9999 (19) other bump:2.94344 Ang ND2(19) at -4.324 -43.196 22.701 in (null):N-9999 (3) and CZ(138) at -5.54292 -43.3849 25.3735 in (null):Y-9999 (18) other bump:2.83668 Ang CG(18) at -3.283 -42.558 23.221 in (null):N-9999 (3) and CE2(137) at -5.83032 -42.3834 24.4569 in (null):Y-9999 (18) other bump:2.45204 Ang ND2(19) at -4.324 -43.196 22.701 in (null):N-9999 (3) and CE2(137) at -5.83032 -42.3834 24.4569 in (null):Y-9999 (18) other bump:3.06131 Ang CB(17) at -3.153 -41.089 22.876 in (null):N-9999 (3) and CD2(135) at -5.54847 -41.0612 24.7819 in (null):Y-9999 (18) other bump:1.59336 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and NZ(123) at -6.50765 -41.5984 19.3994 in (null):K-9999 (16) other bump:2.57509 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CE(122) at -7.83372 -41.8031 20.0818 in (null):K-9999 (16) other bump:2.75674 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CD(121) at -8.64439 -40.5097 20.2468 in (null):K-9999 (16) other bump:2.56565 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CG(120) at -7.89316 -39.4684 21.0782 in (null):K-9999 (16) other bump:2.51403 Ang CB(4) at -3.07861 -35.8035 22.5386 in (null):S-9999 (1) and OD2(101) at -5.46964 -35.072 22.2775 in (null):D-9999 (13) T0136 83 :RDVIAK 1kk1A 93 :HEALMT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 4 total=507 Number of alignments=152 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 19 :AISGNIHFVAEDDDAAELIAKKLLSFLPQ 1kk1A 7 :RQAEVNIGMVGHVDHGKTTLTKALTGVWT Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.2757 Ang O(196) at -12.407 -21.855 28.897 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.47116 Ang CA(199) at -12.634 -19.108 28.623 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.0139 Ang C(205) at -14.07 -19.045 28.11 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.90527 Ang C(197) at -11.751 -21.295 28.017 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.2073 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.31954 Ang N(74) at -9.323 -9.083 11.688 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.60319 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.76371 Ang CA(70) at -7.528 -9.434 13.271 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:3.14986 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and CD(121) at -10.4479 -9.71721 14.979 in (null):E-9999 (17) other bump:3.01357 Ang CD(78) at -11.8393 -12.6077 12.6414 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.76922 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:3.08805 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.94748 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CB(119) at -11.4505 -11.4787 16.5054 in (null):E-9999 (17) other bump:2.85122 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and CA(118) at -12.065 -12.839 16.559 in (null):E-9999 (17) other bump:2.35292 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and N(117) at -13.326 -12.999 15.824 in (null):E-9999 (17) neighbor-bump: 1.62933 Ang O(110) at -15.614 -14.596 12.364 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.20753 Ang C(111) at -15.794 -13.463 12.794 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.45264 Ang O(72) at -8.931 -11.182 12.395 in (null):A-9999 (10) and CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) T0136 52 :EASFVNPNNDV 1kk1A 40 :EELRRGITIKI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.88902 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and N(79) at -4.817 -2.365 24.113 in (null):V-9999 (11) other bump:3.10502 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.49805 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.67515 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:1.93008 Ang ND2(44) at -1.86897 -0.0662479 25.1721 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.94034 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.34923 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.88974 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:2.90579 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and N(63) at -2.987 2.444 24.077 in (null):N-9999 (9) self-bump: 1.27353 Ang CA(56) at -3.186 4.354 25.574 in (null):N-9999 (8) and CB(57) at -2.05516 4.88344 25.3234 in (null):N-9999 (8) other bump:2.2212 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and N(55) at -3.734 3.486 26.617 in (null):N-9999 (8) Number of specific fragments= 2 total=509 Number of alignments=153 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 151 :DKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.27247 Ang CA(212) at -11.707 -23.75 7.777 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 1.7699 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.07571 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.73702 Ang C(210) at -9.413 -22.941 8.189 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 2.70235 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.52262 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.99442 Ang CG(120) at -4.71898 -13.9478 1.86571 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:1.57071 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:2.37063 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE2(200) at -6.4581 -16.7533 3.47675 in (null):F-9999 (26) other bump:2.68349 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE1(199) at -4.87769 -17.9701 2.1413 in (null):F-9999 (26) other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 63 :SPNTELRDIVPIDGKKG 1kk1A 189 :VLVKAIEDFIPTPKRDP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=511 Number of alignments=154 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 29 :EDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 150 :VDKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues neighbor-bump: 2.27247 Ang CA(221) at -11.707 -23.75 7.777 in (null):N-9999 (29) and CD(232) at -11.6548 -22.5602 9.71241 in (null):P-9999 (30) neighbor-bump: 1.7699 Ang C(227) at -12.04 -24.209 9.197 in (null):N-9999 (29) and CD(232) at -11.6548 -22.5602 9.71241 in (null):P-9999 (30) other bump:2.07571 Ang O(218) at -9.821 -22.021 8.903 in (null):V-9999 (28) and CD(232) at -11.6548 -22.5602 9.71241 in (null):P-9999 (30) other bump:2.73702 Ang C(219) at -9.413 -22.941 8.189 in (null):V-9999 (28) and CD(232) at -11.6548 -22.5602 9.71241 in (null):P-9999 (30) neighbor-bump: 2.70235 Ang C(227) at -12.04 -24.209 9.197 in (null):N-9999 (29) and CG(231) at -11.0029 -22.5561 11.0665 in (null):P-9999 (30) other bump:2.52262 Ang O(218) at -9.821 -22.021 8.903 in (null):V-9999 (28) and CG(231) at -11.0029 -22.5561 11.0665 in (null):P-9999 (30) other bump:2.99442 Ang CG(129) at -4.71898 -13.9478 1.86571 in (null):L-9999 (17) and CZ(210) at -5.42561 -16.7697 2.57592 in (null):F-9999 (27) other bump:1.57071 Ang CD1(130) at -4.84483 -15.3119 2.5074 in (null):L-9999 (17) and CZ(210) at -5.42561 -16.7697 2.57592 in (null):F-9999 (27) other bump:2.37063 Ang CD1(130) at -4.84483 -15.3119 2.5074 in (null):L-9999 (17) and CE2(209) at -6.4581 -16.7533 3.47675 in (null):F-9999 (27) other bump:2.68349 Ang CD1(130) at -4.84483 -15.3119 2.5074 in (null):L-9999 (17) and CE1(208) at -4.87769 -17.9701 2.1413 in (null):F-9999 (27) other bump:1.97928 Ang CD2(131) at -4.18012 -12.9355 2.86936 in (null):L-9999 (17) and OG1(170) at -2.3419 -12.3766 3.34491 in (null):T-9999 (22) other bump:3.07327 Ang CD2(131) at -4.18012 -12.9355 2.86936 in (null):L-9999 (17) and CB(168) at -1.51532 -12.8877 4.39957 in (null):T-9999 (22) other bump:2.17168 Ang O(132) at -1.379 -12.428 -0.796 in (null):L-9999 (17) and OD1(155) at -1.13384 -11.5397 1.17046 in (null):N-9999 (20) other bump:2.82899 Ang CA(127) at -3.691 -12.617 -0.218 in (null):L-9999 (17) and ND2(154) at -2.8717 -10.1631 0.926721 in (null):N-9999 (20) other bump:3.24701 Ang C(133) at -2.52 -12.667 -1.191 in (null):L-9999 (17) and CG(153) at -1.56903 -10.3436 0.868307 in (null):N-9999 (20) neighbor-bump: 2.25808 Ang O(139) at -1.521 -10.662 -3.616 in (null):P-9999 (18) and CB(143) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (19) neighbor-bump: 2.54194 Ang C(140) at -0.929 -11.732 -3.5 in (null):P-9999 (18) and CB(143) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (19) other bump:2.28909 Ang OE2(8) at -19.7346 -18.3549 3.56882 in (null):E-9999 (1) and CD1(67) at -17.9939 -18.3953 2.08279 in (null):I-9999 (9) other bump:2.27785 Ang OE1(7) at -18.5405 -20.1881 3.37717 in (null):E-9999 (1) and CD1(67) at -17.9939 -18.3953 2.08279 in (null):I-9999 (9) other bump:2.57333 Ang CD(6) at -19.5838 -19.5871 3.718 in (null):E-9999 (1) and CD1(67) at -17.9939 -18.3953 2.08279 in (null):I-9999 (9) T0136 63 :SPNTELRDIVPIDGK 1kk1A 189 :VLVKAIEDFIPTPKR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=513 Number of alignments=155 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 7 :TADELGGAEAHMAISGNIH 1kk1A 17 :GHVDHGKTTLTKALTGVWT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.56751 Ang O(0) at -8.931 -11.182 12.395 in (null):G-9999 (0) and CG2(5) at -11.4984 -11.1655 12.3713 in (null):T-9999 (1) neighbor-bump: 2.3017 Ang O(0) at -8.931 -11.182 12.395 in (null):G-9999 (0) and CB(4) at -10.7944 -10.937 11.0663 in (null):T-9999 (1) neighbor-bump: 2.69648 Ang C(1) at -8.656 -9.981 12.402 in (null):G-9999 (0) and CB(4) at -10.7944 -10.937 11.0663 in (null):T-9999 (1) T0136 30 :DD 1kk1A 40 :EE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 32 :DAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPNTELRDI 1kk1A 93 :HEALMTTMLAGASLMDGAILVIAANEPCPRPQTREHLMAL Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.39892 Ang CB(52) at -1.34745 -3.17484 13.6744 in (null):K-9999 (8) and OD2(302) at -2.30583 -1.93632 11.8572 in (null):D-9999 (39) other bump:2.81234 Ang CG2(265) at -7.63619 -0.541302 7.72302 in (null):T-9999 (35) and NH2(294) at -6.706 1.35603 5.86717 in (null):R-9999 (38) other bump:2.74639 Ang CA(248) at -10.305 -7.157 6.351 in (null):P-9999 (33) and OE1(274) at -9.30082 -5.63855 8.40736 in (null):E-9999 (36) other bump:2.01527 Ang C(246) at -10.856 -4.983 7.306 in (null):S-9999 (32) and OE1(274) at -9.30082 -5.63855 8.40736 in (null):E-9999 (36) other bump:1.15426 Ang O(245) at -9.707 -4.815 7.708 in (null):S-9999 (32) and OE1(274) at -9.30082 -5.63855 8.40736 in (null):E-9999 (36) other bump:2.87583 Ang C(246) at -10.856 -4.983 7.306 in (null):S-9999 (32) and CD(273) at -9.1437 -5.28903 9.59615 in (null):E-9999 (36) other bump:2.02661 Ang O(245) at -9.707 -4.815 7.708 in (null):S-9999 (32) and CD(273) at -9.1437 -5.28903 9.59615 in (null):E-9999 (36) other bump:3.05652 Ang CD1(33) at -7.69881 0.677443 10.5253 in (null):L-9999 (5) and CG2(265) at -7.63619 -0.541302 7.72302 in (null):T-9999 (35) other bump:2.49076 Ang CB(220) at -11.2974 -8.02101 0.709361 in (null):N-9999 (29) and OD1(259) at -9.47891 -6.44013 1.34016 in (null):N-9999 (34) other bump:2.36457 Ang CG(221) at -9.92112 -8.65461 0.638933 in (null):N-9999 (29) and OD1(259) at -9.47891 -6.44013 1.34016 in (null):N-9999 (34) other bump:2.54207 Ang O(232) at -12.58 -5.977 3.954 in (null):D-9999 (30) and CD(251) at -12.6469 -6.51467 6.43765 in (null):P-9999 (33) other bump:2.89512 Ang C(233) at -13.804 -5.84 3.871 in (null):D-9999 (30) and CD(251) at -12.6469 -6.51467 6.43765 in (null):P-9999 (33) neighbor-bump: 2.66593 Ang N(241) at -12.901 -3.861 6.463 in (null):S-9999 (32) and CD(251) at -12.6469 -6.51467 6.43765 in (null):P-9999 (33) other bump:3.11817 Ang CB(228) at -15.2851 -7.46374 5.00321 in (null):D-9999 (30) and CG(250) at -12.4992 -8.01753 6.28969 in (null):P-9999 (33) neighbor-bump: 2.23198 Ang O(193) at -21.763 -14.583 4.33 in (null):V-9999 (25) and CG(198) at -21.766 -12.3519 4.26644 in (null):N-9999 (26) other bump:3.15177 Ang C(89) at 5.321 -4.581 16.526 in (null):S-9999 (12) and CD(113) at 3.15188 -6.36823 17.9523 in (null):P-9999 (15) neighbor-bump: 2.61804 Ang N(101) at 5.081 -5.382 19.422 in (null):L-9999 (14) and CD(113) at 3.15188 -6.36823 17.9523 in (null):P-9999 (15) other bump:2.2151 Ang CD(24) at -6.45625 -4.92292 14.03 in (null):E-9999 (4) and NZ(56) at -4.77162 -4.60499 12.6273 in (null):K-9999 (8) other bump:2.13826 Ang OE1(25) at -6.76367 -4.05472 13.176 in (null):E-9999 (4) and NZ(56) at -4.77162 -4.60499 12.6273 in (null):K-9999 (8) other bump:2.0109 Ang OE2(26) at -5.73942 -5.91933 13.8018 in (null):E-9999 (4) and NZ(56) at -4.77162 -4.60499 12.6273 in (null):K-9999 (8) T0136 72 :VPIDGKKGYDVRDVIAK 1kk1A 142 :IAQNKIELVDKEKALEN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.53082 Ang CG2(20) at -13.1382 -19.3447 5.40498 in (null):I-9999 (3) and NZ(130) at -13.9666 -18.2445 4.73665 in (null):K-9999 (17) Number of specific fragments= 4 total=517 Number of alignments=156 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 7 :TADELGGAEAHMAISGNIH 1kk1A 17 :GHVDHGKTTLTKALTGVWT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.56751 Ang O(0) at -8.931 -11.182 12.395 in (null):G-9999 (0) and CG2(5) at -11.4984 -11.1655 12.3713 in (null):T-9999 (1) neighbor-bump: 2.3017 Ang O(0) at -8.931 -11.182 12.395 in (null):G-9999 (0) and CB(4) at -10.7944 -10.937 11.0663 in (null):T-9999 (1) neighbor-bump: 2.69648 Ang C(1) at -8.656 -9.981 12.402 in (null):G-9999 (0) and CB(4) at -10.7944 -10.937 11.0663 in (null):T-9999 (1) T0136 30 :DDD 1kk1A 40 :EEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 48 :NNTEEASFVNPNNDVSPNTELR 1kk1A 61 :PNCGRYSTSPVCPYCGHETEFV Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues self-bump: 1.34529 Ang CA(164) at 4.471 -27.576 24.224 in (null):R-9999 (22) and CB(165) at 4.21267 -27.7395 22.9139 in (null):R-9999 (22) other bump:2.12866 Ang ND2(6) at 2.93414 -37.9484 26.0921 in (null):N-9999 (1) and OE2(152) at 4.599 -36.756 26.673 in (null):E-9999 (20) other bump:2.43776 Ang OD1(7) at 3.16395 -37.0668 24.0603 in (null):N-9999 (1) and CD(150) at 4.063 -35.863 25.98 in (null):E-9999 (20) other bump:2.75118 Ang CG(5) at 2.59977 -37.8728 24.8016 in (null):N-9999 (1) and CD(150) at 4.063 -35.863 25.98 in (null):E-9999 (20) other bump:2.37402 Ang ND2(6) at 2.93414 -37.9484 26.0921 in (null):N-9999 (1) and CD(150) at 4.063 -35.863 25.98 in (null):E-9999 (20) other bump:3.27202 Ang CA(112) at -9.4 -39 23.167 in (null):V-9999 (15) and CD(128) at -6.99166 -38.883 25.3789 in (null):P-9999 (17) other bump:2.53029 Ang C(117) at -9.42 -39.059 24.69 in (null):V-9999 (15) and CD(128) at -6.99166 -38.883 25.3789 in (null):P-9999 (17) neighbor-bump: 2.49363 Ang N(118) at -9.286 -37.907 25.338 in (null):S-9999 (16) and CD(128) at -6.99166 -38.883 25.3789 in (null):P-9999 (17) other bump:3.0076 Ang CB(113) at -7.90085 -39.4292 22.5645 in (null):V-9999 (15) and CD(128) at -6.99166 -38.883 25.3789 in (null):P-9999 (17) other bump:2.91794 Ang CG1(114) at -7.43804 -40.7403 23.1731 in (null):V-9999 (15) and CD(128) at -6.99166 -38.883 25.3789 in (null):P-9999 (17) other bump:2.82152 Ang CG1(114) at -7.43804 -40.7403 23.1731 in (null):V-9999 (15) and CG(127) at -5.78225 -39.8185 25.2635 in (null):P-9999 (17) other bump:2.37709 Ang OE1(39) at -7.62019 -33.8017 16.7102 in (null):E-9999 (5) and OD2(108) at -8.85731 -34.0876 18.7198 in (null):D-9999 (14) neighbor-bump: 1.2582 Ang OD1(77) at -6.64406 -31.1412 31.4715 in (null):N-9999 (10) and CD(84) at -7.08992 -31.4595 30.3388 in (null):P-9999 (11) other bump:3.06906 Ang CG1(68) at -8.16472 -29.4164 28.3165 in (null):V-9999 (9) and CD(84) at -7.08992 -31.4595 30.3388 in (null):P-9999 (11) neighbor-bump: 2.36037 Ang CG(75) at -5.68689 -30.6099 32.0362 in (null):N-9999 (10) and CD(84) at -7.08992 -31.4595 30.3388 in (null):P-9999 (11) neighbor-bump: 1.93854 Ang OD1(77) at -6.64406 -31.1412 31.4715 in (null):N-9999 (10) and CG(83) at -7.53087 -32.7885 30.9638 in (null):P-9999 (11) neighbor-bump: 3.04905 Ang CG(75) at -5.68689 -30.6099 32.0362 in (null):N-9999 (10) and CG(83) at -7.53087 -32.7885 30.9638 in (null):P-9999 (11) T0136 82 :VRDVIAK 1kk1A 97 :MTTMLAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 4 total=521 Number of alignments=157 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 151 :DKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.27247 Ang CA(212) at -11.707 -23.75 7.777 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 1.7699 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.07571 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.73702 Ang C(210) at -9.413 -22.941 8.189 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 2.70235 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.52262 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.99442 Ang CG(120) at -4.71898 -13.9478 1.86571 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:1.57071 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:2.37063 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE2(200) at -6.4581 -16.7533 3.47675 in (null):F-9999 (26) other bump:2.68349 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE1(199) at -4.87769 -17.9701 2.1413 in (null):F-9999 (26) other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 63 :SPNTELRDIVPIDGKKG 1kk1A 189 :VLVKAIEDFIPTPKRDP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=523 Number of alignments=158 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 149 :LVDKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.27247 Ang CA(226) at -11.707 -23.75 7.777 in (null):N-9999 (30) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) neighbor-bump: 1.7699 Ang C(232) at -12.04 -24.209 9.197 in (null):N-9999 (30) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) other bump:2.07571 Ang O(223) at -9.821 -22.021 8.903 in (null):V-9999 (29) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) other bump:2.73702 Ang C(224) at -9.413 -22.941 8.189 in (null):V-9999 (29) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) neighbor-bump: 2.70235 Ang C(232) at -12.04 -24.209 9.197 in (null):N-9999 (30) and CG(236) at -11.0029 -22.5561 11.0665 in (null):P-9999 (31) other bump:2.52262 Ang O(223) at -9.821 -22.021 8.903 in (null):V-9999 (29) and CG(236) at -11.0029 -22.5561 11.0665 in (null):P-9999 (31) other bump:2.99442 Ang CG(134) at -4.71898 -13.9478 1.86571 in (null):L-9999 (18) and CZ(215) at -5.42561 -16.7697 2.57592 in (null):F-9999 (28) other bump:1.57071 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CZ(215) at -5.42561 -16.7697 2.57592 in (null):F-9999 (28) other bump:2.37063 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CE2(214) at -6.4581 -16.7533 3.47675 in (null):F-9999 (28) other bump:2.68349 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CE1(213) at -4.87769 -17.9701 2.1413 in (null):F-9999 (28) other bump:1.97928 Ang CD2(136) at -4.18012 -12.9355 2.86936 in (null):L-9999 (18) and OG1(175) at -2.3419 -12.3766 3.34491 in (null):T-9999 (23) other bump:3.07327 Ang CD2(136) at -4.18012 -12.9355 2.86936 in (null):L-9999 (18) and CB(173) at -1.51532 -12.8877 4.39957 in (null):T-9999 (23) other bump:2.17168 Ang O(137) at -1.379 -12.428 -0.796 in (null):L-9999 (18) and OD1(160) at -1.13384 -11.5397 1.17046 in (null):N-9999 (21) other bump:2.82899 Ang CA(132) at -3.691 -12.617 -0.218 in (null):L-9999 (18) and ND2(159) at -2.8717 -10.1631 0.926721 in (null):N-9999 (21) other bump:3.24701 Ang C(138) at -2.52 -12.667 -1.191 in (null):L-9999 (18) and CG(158) at -1.56903 -10.3436 0.868307 in (null):N-9999 (21) neighbor-bump: 2.25808 Ang O(144) at -1.521 -10.662 -3.616 in (null):P-9999 (19) and CB(148) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (20) neighbor-bump: 2.54194 Ang C(145) at -0.929 -11.732 -3.5 in (null):P-9999 (19) and CB(148) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (20) other bump:2.53116 Ang CD(11) at -20.1368 -19.3815 3.00043 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.24961 Ang OE1(12) at -19.757 -19.776 1.86854 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.22288 Ang OE2(13) at -19.6446 -18.3728 3.5714 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.89652 Ang OE1(12) at -19.757 -19.776 1.86854 in (null):E-9999 (2) and CB(42) at -21.015 -21.047 -0.41 in (null):A-9999 (6) T0136 63 :SPNTELRDIVPIDGK 1kk1A 189 :VLVKAIEDFIPTPKR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=525 Number of alignments=159 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 19 :AISGNIHFVAEDDDAAELIAKKLLSFLPQ 1kk1A 7 :RQAEVNIGMVGHVDHGKTTLTKALTGVWT Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.2757 Ang O(196) at -12.407 -21.855 28.897 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.47116 Ang CA(199) at -12.634 -19.108 28.623 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) neighbor-bump: 2.0139 Ang C(205) at -14.07 -19.045 28.11 in (null):L-9999 (27) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.90527 Ang C(197) at -11.751 -21.295 28.017 in (null):F-9999 (26) and CD(210) at -14.3994 -20.7726 29.0912 in (null):P-9999 (28) other bump:2.2073 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.31954 Ang N(74) at -9.323 -9.083 11.688 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.60319 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:2.76371 Ang CA(70) at -7.528 -9.434 13.271 in (null):A-9999 (10) and OE2(123) at -10.2385 -9.34481 13.8031 in (null):E-9999 (17) other bump:3.14986 Ang C(73) at -8.656 -9.981 12.402 in (null):A-9999 (10) and CD(121) at -10.4479 -9.71721 14.979 in (null):E-9999 (17) other bump:3.01357 Ang CD(78) at -11.8393 -12.6077 12.6414 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.76922 Ang CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:3.08805 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CG(120) at -10.9525 -11.1389 15.1188 in (null):E-9999 (17) other bump:2.94748 Ang CG1(65) at -8.60724 -12.1816 16.836 in (null):V-9999 (9) and CB(119) at -11.4505 -11.4787 16.5054 in (null):E-9999 (17) other bump:2.85122 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and CA(118) at -12.065 -12.839 16.559 in (null):E-9999 (17) other bump:2.35292 Ang OE2(80) at -12.2756 -12.9724 13.7187 in (null):E-9999 (11) and N(117) at -13.326 -12.999 15.824 in (null):E-9999 (17) neighbor-bump: 1.62933 Ang O(110) at -15.614 -14.596 12.364 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.20753 Ang C(111) at -15.794 -13.463 12.794 in (null):A-9999 (15) and CB(114) at -15.196 -15.3673 13.737 in (null):A-9999 (16) neighbor-bump: 2.45264 Ang O(72) at -8.931 -11.182 12.395 in (null):A-9999 (10) and CG(77) at -11.3835 -11.2028 12.3841 in (null):E-9999 (11) T0136 52 :EASFVNPNNDV 1kk1A 40 :EELRRGITIKI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.88902 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and N(79) at -4.817 -2.365 24.113 in (null):V-9999 (11) other bump:3.10502 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.49805 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:2.67515 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and C(70) at -4.253 0.605 23.837 in (null):N-9999 (9) other bump:1.93008 Ang ND2(44) at -1.86897 -0.0662479 25.1721 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.94034 Ang CB(42) at -3.69986 -1.0295 26.4184 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.34923 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:1.88974 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and O(69) at -3.764 0.122 24.858 in (null):N-9999 (9) other bump:2.90579 Ang CG(43) at -2.94801 0.20542 25.9293 in (null):N-9999 (6) and N(63) at -2.987 2.444 24.077 in (null):N-9999 (9) self-bump: 1.27353 Ang CA(56) at -3.186 4.354 25.574 in (null):N-9999 (8) and CB(57) at -2.05516 4.88344 25.3234 in (null):N-9999 (8) other bump:2.2212 Ang OD1(45) at -3.31586 1.33861 26.2328 in (null):N-9999 (6) and N(55) at -3.734 3.486 26.617 in (null):N-9999 (8) T0136 63 :SPNTELRDIVPIDGKKGYD 1kk1A 60 :CPNCGRYSTSPVCPYCGHE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.07572 Ang CD1(93) at -6.74432 -34.6578 31.4123 in (null):I-9999 (12) and OD1(146) at -5.22842 -36.0755 31.4417 in (null):D-9999 (19) other bump:2.94344 Ang ND2(19) at -4.324 -43.196 22.701 in (null):N-9999 (3) and CZ(138) at -5.54292 -43.3849 25.3735 in (null):Y-9999 (18) other bump:2.83668 Ang CG(18) at -3.283 -42.558 23.221 in (null):N-9999 (3) and CE2(137) at -5.83032 -42.3834 24.4569 in (null):Y-9999 (18) other bump:2.45204 Ang ND2(19) at -4.324 -43.196 22.701 in (null):N-9999 (3) and CE2(137) at -5.83032 -42.3834 24.4569 in (null):Y-9999 (18) other bump:3.06131 Ang CB(17) at -3.153 -41.089 22.876 in (null):N-9999 (3) and CD2(135) at -5.54847 -41.0612 24.7819 in (null):Y-9999 (18) other bump:1.59336 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and NZ(123) at -6.50765 -41.5984 19.3994 in (null):K-9999 (16) other bump:2.57509 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CE(122) at -7.83372 -41.8031 20.0818 in (null):K-9999 (16) other bump:2.75674 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CD(121) at -8.64439 -40.5097 20.2468 in (null):K-9999 (16) other bump:2.56565 Ang CG2(26) at -6.06454 -40.068 19.3814 in (null):T-9999 (4) and CG(120) at -7.89316 -39.4684 21.0782 in (null):K-9999 (16) other bump:2.51403 Ang CB(4) at -3.07861 -35.8035 22.5386 in (null):S-9999 (1) and OD2(101) at -5.46964 -35.072 22.2775 in (null):D-9999 (13) T0136 82 :VRDVIAK 1kk1A 97 :MTTMLAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0136 89 :IVDWGDYLEVKAGYAT 1kk1A 383 :CAEPGDRVAISRQIGS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues self-bump: 1.33444 Ang CA(118) at -15.862 15.782 13.873 in (null):A-9999 (15) and CB(119) at -17.0932 15.4368 13.4913 in (null):A-9999 (15) other bump:2.0448 Ang CD(75) at -2.76437 4.53627 15.6061 in (null):E-9999 (9) and NZ(93) at -3.61417 6.03619 16.7058 in (null):K-9999 (11) other bump:1.39243 Ang OE1(76) at -3.03324 4.77545 16.8149 in (null):E-9999 (9) and NZ(93) at -3.61417 6.03619 16.7058 in (null):K-9999 (11) other bump:2.52024 Ang OE1(76) at -3.03324 4.77545 16.8149 in (null):E-9999 (9) and CE(92) at -5.09041 6.23066 16.7701 in (null):K-9999 (11) neighbor-bump: 3.07531 Ang C(9) at 10.775 6.856 23.466 in (null):I-9999 (1) and CG1(13) at 9.00694 6.46099 20.9809 in (null):V-9999 (2) Number of specific fragments= 5 total=530 Number of alignments=160 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 7 :TADE 1kk1A 7 :RQAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 16 :A 1kk1A 11 :V Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 20 :ISGNIHFVAEDD 1kk1A 12 :NIGMVGHVDHGK Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.33138 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and OD2(91) at -10.7923 -9.90144 14.7915 in (null):D-9999 (12) other bump:1.8086 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and OD2(91) at -10.7923 -9.90144 14.7915 in (null):D-9999 (12) other bump:2.42642 Ang ND1(41) at -12.5454 -12.1833 12.211 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.98311 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.03628 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:2.0693 Ang CG(39) at -11.4342 -11.3576 12.2036 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.0849 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and OD1(90) at -11.0914 -11.99 14.1439 in (null):D-9999 (12) other bump:1.42256 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and CG(89) at -11.0868 -11.0945 15.0211 in (null):D-9999 (12) other bump:2.85102 Ang CG(39) at -11.4342 -11.3576 12.2036 in (null):H-9999 (6) and CG(89) at -11.0868 -11.0945 15.0211 in (null):D-9999 (12) other bump:1.52255 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and CG(89) at -11.0868 -11.0945 15.0211 in (null):D-9999 (12) other bump:2.28516 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and CB(88) at -11.4433 -11.4724 16.4441 in (null):D-9999 (12) other bump:2.98092 Ang CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) and CB(88) at -11.4433 -11.4724 16.4441 in (null):D-9999 (12) other bump:2.5259 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and CA(87) at -12.065 -12.839 16.559 in (null):D-9999 (12) other bump:2.47323 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and N(86) at -13.326 -12.999 15.824 in (null):D-9999 (12) other bump:2.33352 Ang NE2(43) at -12.0946 -11.7645 14.2732 in (null):H-9999 (6) and N(86) at -13.326 -12.999 15.824 in (null):D-9999 (12) other bump:3.14958 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and C(85) at -14.021 -14.132 15.846 in (null):D-9999 (11) other bump:2.89464 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and N(78) at -15.635 -13.148 14.077 in (null):D-9999 (11) other bump:3.14703 Ang CE1(42) at -12.9065 -12.4038 13.4604 in (null):H-9999 (6) and C(77) at -15.794 -13.463 12.794 in (null):E-9999 (10) other bump:2.77393 Ang CD1(50) at -16.9691 -7.96831 9.34016 in (null):F-9999 (7) and OE2(75) at -17.6198 -10.4982 8.40704 in (null):E-9999 (10) other bump:3.10865 Ang ND1(41) at -12.5454 -12.1833 12.211 in (null):H-9999 (6) and CB(71) at -15.2759 -12.2041 10.7252 in (null):E-9999 (10) neighbor-bump: 2.45125 Ang CD1(50) at -16.9691 -7.96831 9.34016 in (null):F-9999 (7) and O(62) at -17.709 -8.296 11.654 in (null):V-9999 (8) neighbor-bump: 2.4714 Ang O(34) at -8.931 -11.182 12.395 in (null):I-9999 (5) and CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) neighbor-bump: 2.94501 Ang C(35) at -8.656 -9.981 12.402 in (null):I-9999 (5) and CD2(40) at -11.1408 -11.1184 13.4997 in (null):H-9999 (6) neighbor-bump: 2.51663 Ang O(34) at -8.931 -11.182 12.395 in (null):I-9999 (5) and CG(39) at -11.4342 -11.3576 12.2036 in (null):H-9999 (6) neighbor-bump: 2.64025 Ang CG2(32) at -6.86402 -8.71646 10.7992 in (null):I-9999 (5) and N(36) at -9.323 -9.083 11.688 in (null):H-9999 (6) T0136 35 :ELIAKKLLSFLP 1kk1A 24 :TTLTKALTGVWT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.98906 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and CA(99) at -16.286 -14.15 33.351 in (null):G-9999 (13) other bump:3.02122 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and N(98) at -16.777 -15.494 33.056 in (null):G-9999 (13) other bump:2.59342 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and C(97) at -16.721 -16.028 31.837 in (null):P-9999 (12) other bump:2.96945 Ang CE1(78) at -13.7619 -16.2758 31.8394 in (null):F-9999 (10) and C(97) at -16.721 -16.028 31.837 in (null):P-9999 (12) other bump:1.97255 Ang CZ(80) at -14.3501 -15.1279 31.2942 in (null):F-9999 (10) and O(96) at -16.25 -15.437 30.863 in (null):P-9999 (12) other bump:2.38014 Ang CE2(79) at -14.1461 -14.8168 29.9388 in (null):F-9999 (10) and O(96) at -16.25 -15.437 30.863 in (null):P-9999 (12) neighbor-bump: 2.79525 Ang CD2(88) at -18.117 -21.983 30.463 in (null):L-9999 (11) and CD(95) at -17.1299 -19.6959 31.7312 in (null):P-9999 (12) self-bump: 2.25501 Ang CA(92) at -17.278 -17.446 31.698 in (null):P-9999 (12) and CD(95) at -17.1299 -19.6959 31.7312 in (null):P-9999 (12) self-bump: 2.14692 Ang CA(92) at -17.278 -17.446 31.698 in (null):P-9999 (12) and CG(94) at -18.3757 -19.1506 32.4042 in (null):P-9999 (12) self-bump: 1.23254 Ang CA(92) at -17.278 -17.446 31.698 in (null):P-9999 (12) and CB(93) at -18.079 -17.696 32.6008 in (null):P-9999 (12) T0136 51 :EEASF 1kk1A 40 :EELRR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.67899 Ang OE1(16) at -11.825 -6.232 27.883 in (null):E-9999 (2) and CZ(39) at -9.47898 -7.01216 26.8512 in (null):F-9999 (5) other bump:2.79473 Ang OE1(16) at -11.825 -6.232 27.883 in (null):E-9999 (2) and CE1(37) at -9.16737 -7.0265 28.224 in (null):F-9999 (5) T0136 57 :NPNNDV 1kk1A 45 :GITIKI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.88901 Ang CB(4) at -3.69986 -1.0295 26.4184 in (null):N-9999 (1) and N(41) at -4.817 -2.365 24.113 in (null):V-9999 (6) other bump:3.10502 Ang CB(4) at -3.69986 -1.0295 26.4184 in (null):N-9999 (1) and C(32) at -4.253 0.605 23.837 in (null):N-9999 (4) other bump:2.49804 Ang CG(5) at -2.94801 0.205418 25.9293 in (null):N-9999 (1) and C(32) at -4.253 0.605 23.837 in (null):N-9999 (4) other bump:2.67514 Ang OD1(7) at -3.31586 1.33861 26.2328 in (null):N-9999 (1) and C(32) at -4.253 0.605 23.837 in (null):N-9999 (4) other bump:1.93008 Ang ND2(6) at -1.86897 -0.0662508 25.1721 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:1.94034 Ang CB(4) at -3.69986 -1.0295 26.4184 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:1.34922 Ang CG(5) at -2.94801 0.205418 25.9293 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:1.88974 Ang OD1(7) at -3.31586 1.33861 26.2328 in (null):N-9999 (1) and O(31) at -3.764 0.122 24.858 in (null):N-9999 (4) other bump:2.90579 Ang CG(5) at -2.94801 0.205418 25.9293 in (null):N-9999 (1) and N(25) at -2.987 2.444 24.077 in (null):N-9999 (4) self-bump: 1.27353 Ang CA(18) at -3.186 4.354 25.574 in (null):N-9999 (3) and CB(19) at -2.05516 4.88344 25.3234 in (null):N-9999 (3) other bump:2.2212 Ang OD1(7) at -3.31586 1.33861 26.2328 in (null):N-9999 (1) and N(17) at -3.734 3.486 26.617 in (null):N-9999 (3) T0136 63 :SPNTELRDIVPIDG 1kk1A 60 :CPNCGRYSTSPVCP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.51403 Ang CB(4) at -3.07861 -35.8035 22.5386 in (null):S-9999 (1) and OD2(101) at -5.46964 -35.072 22.2775 in (null):D-9999 (13) Number of specific fragments= 7 total=537 Number of alignments=161 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 26 :FVAEDDDAAELIAKKLLSFLPQNNTEEAS 1kk1A 147 :IELVDKEKALENYRQIKEFIEGTVAENAP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.97928 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and OG1(193) at -2.3419 -12.3766 3.34491 in (null):T-9999 (25) other bump:3.07327 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and CB(191) at -1.51532 -12.8877 4.39957 in (null):T-9999 (25) other bump:2.17168 Ang O(155) at -1.379 -12.428 -0.796 in (null):L-9999 (20) and OD1(178) at -1.13384 -11.5397 1.17046 in (null):N-9999 (23) other bump:2.82899 Ang CA(150) at -3.691 -12.617 -0.218 in (null):L-9999 (20) and ND2(177) at -2.8717 -10.1631 0.926721 in (null):N-9999 (23) other bump:3.24701 Ang C(156) at -2.52 -12.667 -1.191 in (null):L-9999 (20) and CG(176) at -1.56903 -10.3436 0.868307 in (null):N-9999 (23) neighbor-bump: 2.25808 Ang O(162) at -1.521 -10.662 -3.616 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) neighbor-bump: 2.54194 Ang C(163) at -0.929 -11.732 -3.5 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) other bump:2.53116 Ang CD(29) at -20.1368 -19.3815 3.00043 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.24961 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.22288 Ang OE2(31) at -19.6446 -18.3728 3.5714 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.71888 Ang CZ(10) at -15.7768 -25.2721 3.94456 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.66785 Ang CE1(8) at -15.6157 -23.9107 4.17426 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.89652 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CB(60) at -21.015 -21.047 -0.41 in (null):A-9999 (8) T0136 71 :IVPIDGKKGYDVRDVIAKIVD 1kk1A 176 :IIPISALHGANIDVLVKAIED Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.76222 Ang CD1(70) at -15.174 -28.2024 11.5939 in (null):Y-9999 (10) and OD2(83) at -12.8573 -28.7987 10.213 in (null):D-9999 (11) other bump:2.30648 Ang OD2(37) at -19.4442 -24.4415 14.3067 in (null):D-9999 (5) and CG(56) at -20.6089 -24.7488 16.2736 in (null):K-9999 (8) other bump:2.6441 Ang OD2(37) at -19.4442 -24.4415 14.3067 in (null):D-9999 (5) and CB(55) at -19.3756 -25.5656 16.6989 in (null):K-9999 (8) Number of specific fragments= 2 total=539 Number of alignments=162 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 26 :FVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 147 :IELVDKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:3.02786 Ang CG2(17) at -19.5879 -25.7893 11.2145 in (null):V-9999 (2) and ND2(262) at -19.6825 -24.1417 13.7531 in (null):N-9999 (34) neighbor-bump: 2.27247 Ang CA(244) at -11.707 -23.75 7.777 in (null):N-9999 (32) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) neighbor-bump: 1.7699 Ang C(250) at -12.04 -24.209 9.197 in (null):N-9999 (32) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) other bump:2.07571 Ang O(241) at -9.821 -22.021 8.903 in (null):V-9999 (31) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) other bump:2.73702 Ang C(242) at -9.413 -22.941 8.189 in (null):V-9999 (31) and CD(255) at -11.6548 -22.5602 9.71241 in (null):P-9999 (33) neighbor-bump: 2.70235 Ang C(250) at -12.04 -24.209 9.197 in (null):N-9999 (32) and CG(254) at -11.0029 -22.5561 11.0665 in (null):P-9999 (33) other bump:2.52262 Ang O(241) at -9.821 -22.021 8.903 in (null):V-9999 (31) and CG(254) at -11.0029 -22.5561 11.0665 in (null):P-9999 (33) other bump:2.99442 Ang CG(152) at -4.71898 -13.9478 1.86571 in (null):L-9999 (20) and CZ(233) at -5.42561 -16.7697 2.57592 in (null):F-9999 (30) other bump:1.57071 Ang CD1(153) at -4.84483 -15.3119 2.5074 in (null):L-9999 (20) and CZ(233) at -5.42561 -16.7697 2.57592 in (null):F-9999 (30) other bump:2.37063 Ang CD1(153) at -4.84483 -15.3119 2.5074 in (null):L-9999 (20) and CE2(232) at -6.4581 -16.7533 3.47675 in (null):F-9999 (30) other bump:2.68349 Ang CD1(153) at -4.84483 -15.3119 2.5074 in (null):L-9999 (20) and CE1(231) at -4.87769 -17.9701 2.1413 in (null):F-9999 (30) other bump:1.97928 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and OG1(193) at -2.3419 -12.3766 3.34491 in (null):T-9999 (25) other bump:3.07327 Ang CD2(154) at -4.18012 -12.9355 2.86936 in (null):L-9999 (20) and CB(191) at -1.51532 -12.8877 4.39957 in (null):T-9999 (25) other bump:2.17168 Ang O(155) at -1.379 -12.428 -0.796 in (null):L-9999 (20) and OD1(178) at -1.13384 -11.5397 1.17046 in (null):N-9999 (23) other bump:2.82899 Ang CA(150) at -3.691 -12.617 -0.218 in (null):L-9999 (20) and ND2(177) at -2.8717 -10.1631 0.926721 in (null):N-9999 (23) other bump:3.24701 Ang C(156) at -2.52 -12.667 -1.191 in (null):L-9999 (20) and CG(176) at -1.56903 -10.3436 0.868307 in (null):N-9999 (23) neighbor-bump: 2.25808 Ang O(162) at -1.521 -10.662 -3.616 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) neighbor-bump: 2.54194 Ang C(163) at -0.929 -11.732 -3.5 in (null):P-9999 (21) and CB(166) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (22) other bump:2.53116 Ang CD(29) at -20.1368 -19.3815 3.00043 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.24961 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.22288 Ang OE2(31) at -19.6446 -18.3728 3.5714 in (null):E-9999 (4) and CD1(90) at -17.9939 -18.3953 2.08279 in (null):I-9999 (12) other bump:2.71888 Ang CZ(10) at -15.7768 -25.2721 3.94456 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.66785 Ang CE1(8) at -15.6157 -23.9107 4.17426 in (null):F-9999 (1) and CB(65) at -16.991 -23.971 1.889 in (null):A-9999 (9) other bump:2.89652 Ang OE1(30) at -19.757 -19.776 1.86854 in (null):E-9999 (4) and CB(60) at -21.015 -21.047 -0.41 in (null):A-9999 (8) T0136 63 :SPNTELRDIVPID 1kk1A 189 :VLVKAIEDFIPTP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=541 Number of alignments=163 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-local-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-local-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 151 :DKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.27247 Ang CA(212) at -11.707 -23.75 7.777 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 1.7699 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.07571 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.73702 Ang C(210) at -9.413 -22.941 8.189 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 2.70235 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.52262 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.99442 Ang CG(120) at -4.71898 -13.9478 1.86571 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:1.57071 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:2.37063 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE2(200) at -6.4581 -16.7533 3.47675 in (null):F-9999 (26) other bump:2.68349 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE1(199) at -4.87769 -17.9701 2.1413 in (null):F-9999 (26) other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 63 :SPNTELRDIVPIDGKKG 1kk1A 189 :VLVKAIEDFIPTPKRDP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=543 Number of alignments=164 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-local-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-local-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 149 :LVDKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.27247 Ang CA(226) at -11.707 -23.75 7.777 in (null):N-9999 (30) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) neighbor-bump: 1.7699 Ang C(232) at -12.04 -24.209 9.197 in (null):N-9999 (30) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) other bump:2.07571 Ang O(223) at -9.821 -22.021 8.903 in (null):V-9999 (29) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) other bump:2.73702 Ang C(224) at -9.413 -22.941 8.189 in (null):V-9999 (29) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) neighbor-bump: 2.70235 Ang C(232) at -12.04 -24.209 9.197 in (null):N-9999 (30) and CG(236) at -11.0029 -22.5561 11.0665 in (null):P-9999 (31) other bump:2.52262 Ang O(223) at -9.821 -22.021 8.903 in (null):V-9999 (29) and CG(236) at -11.0029 -22.5561 11.0665 in (null):P-9999 (31) other bump:2.99442 Ang CG(134) at -4.71898 -13.9478 1.86571 in (null):L-9999 (18) and CZ(215) at -5.42561 -16.7697 2.57592 in (null):F-9999 (28) other bump:1.57071 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CZ(215) at -5.42561 -16.7697 2.57592 in (null):F-9999 (28) other bump:2.37063 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CE2(214) at -6.4581 -16.7533 3.47675 in (null):F-9999 (28) other bump:2.68349 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CE1(213) at -4.87769 -17.9701 2.1413 in (null):F-9999 (28) other bump:1.97928 Ang CD2(136) at -4.18012 -12.9355 2.86936 in (null):L-9999 (18) and OG1(175) at -2.3419 -12.3766 3.34491 in (null):T-9999 (23) other bump:3.07327 Ang CD2(136) at -4.18012 -12.9355 2.86936 in (null):L-9999 (18) and CB(173) at -1.51532 -12.8877 4.39957 in (null):T-9999 (23) other bump:2.17168 Ang O(137) at -1.379 -12.428 -0.796 in (null):L-9999 (18) and OD1(160) at -1.13384 -11.5397 1.17046 in (null):N-9999 (21) other bump:2.82899 Ang CA(132) at -3.691 -12.617 -0.218 in (null):L-9999 (18) and ND2(159) at -2.8717 -10.1631 0.926721 in (null):N-9999 (21) other bump:3.24701 Ang C(138) at -2.52 -12.667 -1.191 in (null):L-9999 (18) and CG(158) at -1.56903 -10.3436 0.868307 in (null):N-9999 (21) neighbor-bump: 2.25808 Ang O(144) at -1.521 -10.662 -3.616 in (null):P-9999 (19) and CB(148) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (20) neighbor-bump: 2.54194 Ang C(145) at -0.929 -11.732 -3.5 in (null):P-9999 (19) and CB(148) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (20) other bump:2.53116 Ang CD(11) at -20.1368 -19.3815 3.00043 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.24961 Ang OE1(12) at -19.757 -19.776 1.86854 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.22288 Ang OE2(13) at -19.6446 -18.3728 3.5714 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.89652 Ang OE1(12) at -19.757 -19.776 1.86854 in (null):E-9999 (2) and CB(42) at -21.015 -21.047 -0.41 in (null):A-9999 (6) T0136 63 :SPNTELRDIVPIDGKKG 1kk1A 189 :VLVKAIEDFIPTPKRDP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=545 Number of alignments=165 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-simpleSW-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 71 :IVPIDGKKGYDVRDVIAKIVDW 1kk1A 176 :IIPISALHGANIDVLVKAIEDF Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.52306 Ang NZ(138) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (18) and CZ2(173) at 3.16315 -22.9593 5.97228 in (null):W-9999 (22) other bump:2.79067 Ang CD(136) at -0.573159 -22.8096 9.6373 in (null):K-9999 (18) and NE1(172) at 1.57569 -23.1365 7.88704 in (null):W-9999 (22) other bump:2.7259 Ang CE(137) at -1.03111 -23.6139 8.52519 in (null):K-9999 (18) and NE1(172) at 1.57569 -23.1365 7.88704 in (null):W-9999 (22) other bump:1.78357 Ang NZ(138) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (18) and NE1(172) at 1.57569 -23.1365 7.88704 in (null):W-9999 (22) other bump:2.83894 Ang NZ(138) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (18) and CE2(170) at 2.61813 -22.5911 7.19851 in (null):W-9999 (22) other bump:2.08237 Ang CD(136) at -0.573159 -22.8096 9.6373 in (null):K-9999 (18) and CD1(168) at 1.39291 -22.438 9.06044 in (null):W-9999 (22) other bump:2.74681 Ang CE(137) at -1.03111 -23.6139 8.52519 in (null):K-9999 (18) and CD1(168) at 1.39291 -22.438 9.06044 in (null):W-9999 (22) other bump:2.54508 Ang NZ(138) at -0.0509645 -23.5543 7.28658 in (null):K-9999 (18) and CD1(168) at 1.39291 -22.438 9.06044 in (null):W-9999 (22) neighbor-bump: 2.76222 Ang CD1(70) at -15.174 -28.2024 11.5939 in (null):Y-9999 (10) and OD2(83) at -12.8573 -28.7987 10.213 in (null):D-9999 (11) other bump:2.30648 Ang OD2(37) at -19.4442 -24.4415 14.3067 in (null):D-9999 (5) and CG(56) at -20.6089 -24.7488 16.2736 in (null):K-9999 (8) other bump:2.6441 Ang OD2(37) at -19.4442 -24.4415 14.3067 in (null):D-9999 (5) and CB(55) at -19.3756 -25.5656 16.6989 in (null):K-9999 (8) Number of specific fragments= 1 total=546 Number of alignments=166 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-simpleSW-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set Number of specific fragments= 0 total=546 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-vit-adpstyle1.pw.a2m.gz # 1kk1A read from T0136-1kk1A-vit-adpstyle1.pw.a2m.gz # found chain 1kk1A in template set T0136 30 :DDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 151 :DKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.27247 Ang CA(212) at -11.707 -23.75 7.777 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 1.7699 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.07571 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) other bump:2.73702 Ang C(210) at -9.413 -22.941 8.189 in (null):V-9999 (27) and CD(223) at -11.6548 -22.5602 9.71241 in (null):P-9999 (29) neighbor-bump: 2.70235 Ang C(218) at -12.04 -24.209 9.197 in (null):N-9999 (28) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.52262 Ang O(209) at -9.821 -22.021 8.903 in (null):V-9999 (27) and CG(222) at -11.0029 -22.5561 11.0665 in (null):P-9999 (29) other bump:2.99442 Ang CG(120) at -4.71898 -13.9478 1.86571 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:1.57071 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CZ(201) at -5.42561 -16.7697 2.57592 in (null):F-9999 (26) other bump:2.37063 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE2(200) at -6.4581 -16.7533 3.47675 in (null):F-9999 (26) other bump:2.68349 Ang CD1(121) at -4.84483 -15.3119 2.5074 in (null):L-9999 (16) and CE1(199) at -4.87769 -17.9701 2.1413 in (null):F-9999 (26) other bump:1.97928 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and OG1(161) at -2.3419 -12.3766 3.34491 in (null):T-9999 (21) other bump:3.07327 Ang CD2(122) at -4.18012 -12.9355 2.86936 in (null):L-9999 (16) and CB(159) at -1.51532 -12.8877 4.39957 in (null):T-9999 (21) other bump:2.17168 Ang O(123) at -1.379 -12.428 -0.796 in (null):L-9999 (16) and OD1(146) at -1.13384 -11.5397 1.17046 in (null):N-9999 (19) other bump:2.82899 Ang CA(118) at -3.691 -12.617 -0.218 in (null):L-9999 (16) and ND2(145) at -2.8717 -10.1631 0.926721 in (null):N-9999 (19) other bump:3.24701 Ang C(124) at -2.52 -12.667 -1.191 in (null):L-9999 (16) and CG(144) at -1.56903 -10.3436 0.868307 in (null):N-9999 (19) neighbor-bump: 2.25808 Ang O(130) at -1.521 -10.662 -3.616 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) neighbor-bump: 2.54194 Ang C(131) at -0.929 -11.732 -3.5 in (null):P-9999 (17) and CB(134) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (18) T0136 63 :SPNTELRDIVPIDGKKG 1kk1A 189 :VLVKAIEDFIPTPKRDP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=548 Number of alignments=167 # Reading fragments from alignment file # T0136 read from T0136-1kk1A-vit-adpstyle5.pw.a2m.gz # 1kk1A read from T0136-1kk1A-vit-adpstyle5.pw.a2m.gz # found chain 1kk1A in template set T0136 28 :AEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1kk1A 149 :LVDKEKALENYRQIKEFIEGTVAENAPIIPISALH Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.27247 Ang CA(226) at -11.707 -23.75 7.777 in (null):N-9999 (30) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) neighbor-bump: 1.7699 Ang C(232) at -12.04 -24.209 9.197 in (null):N-9999 (30) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) other bump:2.07571 Ang O(223) at -9.821 -22.021 8.903 in (null):V-9999 (29) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) other bump:2.73702 Ang C(224) at -9.413 -22.941 8.189 in (null):V-9999 (29) and CD(237) at -11.6548 -22.5602 9.71241 in (null):P-9999 (31) neighbor-bump: 2.70235 Ang C(232) at -12.04 -24.209 9.197 in (null):N-9999 (30) and CG(236) at -11.0029 -22.5561 11.0665 in (null):P-9999 (31) other bump:2.52262 Ang O(223) at -9.821 -22.021 8.903 in (null):V-9999 (29) and CG(236) at -11.0029 -22.5561 11.0665 in (null):P-9999 (31) other bump:2.99442 Ang CG(134) at -4.71898 -13.9478 1.86571 in (null):L-9999 (18) and CZ(215) at -5.42561 -16.7697 2.57592 in (null):F-9999 (28) other bump:1.57071 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CZ(215) at -5.42561 -16.7697 2.57592 in (null):F-9999 (28) other bump:2.37063 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CE2(214) at -6.4581 -16.7533 3.47675 in (null):F-9999 (28) other bump:2.68349 Ang CD1(135) at -4.84483 -15.3119 2.5074 in (null):L-9999 (18) and CE1(213) at -4.87769 -17.9701 2.1413 in (null):F-9999 (28) other bump:1.97928 Ang CD2(136) at -4.18012 -12.9355 2.86936 in (null):L-9999 (18) and OG1(175) at -2.3419 -12.3766 3.34491 in (null):T-9999 (23) other bump:3.07327 Ang CD2(136) at -4.18012 -12.9355 2.86936 in (null):L-9999 (18) and CB(173) at -1.51532 -12.8877 4.39957 in (null):T-9999 (23) other bump:2.17168 Ang O(137) at -1.379 -12.428 -0.796 in (null):L-9999 (18) and OD1(160) at -1.13384 -11.5397 1.17046 in (null):N-9999 (21) other bump:2.82899 Ang CA(132) at -3.691 -12.617 -0.218 in (null):L-9999 (18) and ND2(159) at -2.8717 -10.1631 0.926721 in (null):N-9999 (21) other bump:3.24701 Ang C(138) at -2.52 -12.667 -1.191 in (null):L-9999 (18) and CG(158) at -1.56903 -10.3436 0.868307 in (null):N-9999 (21) neighbor-bump: 2.25808 Ang O(144) at -1.521 -10.662 -3.616 in (null):P-9999 (19) and CB(148) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (20) neighbor-bump: 2.54194 Ang C(145) at -0.929 -11.732 -3.5 in (null):P-9999 (19) and CB(148) at 0.304887 -9.83268 -4.65394 in (null):Q-9999 (20) other bump:2.53116 Ang CD(11) at -20.1368 -19.3815 3.00043 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.24961 Ang OE1(12) at -19.757 -19.776 1.86854 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.22288 Ang OE2(13) at -19.6446 -18.3728 3.5714 in (null):E-9999 (2) and CD1(72) at -17.9939 -18.3953 2.08279 in (null):I-9999 (10) other bump:2.89652 Ang OE1(12) at -19.757 -19.776 1.86854 in (null):E-9999 (2) and CB(42) at -21.015 -21.047 -0.41 in (null):A-9999 (6) T0136 63 :SPNTELRDIVPIDGKKG 1kk1A 189 :VLVKAIEDFIPTPKRDP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.72402 Ang CA(3) at -5.612 -28.05 12.866 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:0.457227 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:1.39906 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.1785 Ang N(8) at -5.871 -25.731 13.554 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.47535 Ang CA(9) at -5.445 -24.349 13.737 in (null):P-9999 (2) and OE2(36) at -3.98981 -25.8981 12.4682 in (null):E-9999 (5) other bump:2.07612 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and OE1(35) at -3.1791 -27.1351 10.8008 in (null):E-9999 (5) other bump:1.38004 Ang O(6) at -3.947 -26.344 12.56 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) other bump:2.45942 Ang C(7) at -5.072 -26.625 12.976 in (null):S-9999 (1) and CD(34) at -3.29623 -26.0069 11.3907 in (null):E-9999 (5) Number of specific fragments= 2 total=550 Number of alignments=168 # command:# Prefix for input files set to 1dguA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1dguA-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1dguA read from 1dguA-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGEDVTADELGGAEAHMAISGNIHFVAEDDDAA 1dguA 1 :SKELLAEYQDLTFLTKQEILLAHRRFCELLPQEQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.58323 Ang CG(216) at 60.9231 6.03149 65.5672 in (null):D-9999 (30) and O(237) at 62.207 4.885 63.641 in (null):A-9999 (33) other bump:2.35636 Ang CG1(3) at 64.1508 10.8334 71.7536 in (null):V-9999 (0) and CZ(181) at 63.594 12.987 70.976 in (null):F-9999 (25) other bump:2.07019 Ang CG1(3) at 64.1508 10.8334 71.7536 in (null):V-9999 (0) and CE2(180) at 62.634 12.239 71.656 in (null):F-9999 (25) self-bump: 1.39419 Ang CA(36) at 68.77 8.621 82.141 in (null):V-9999 (5) and CB(37) at 69.6494 7.54053 82.0858 in (null):V-9999 (5) T0136 35 :ELIAKKLLSFLPQNNTEEASFVNPNNDVSPN 1dguA 44 :QVPFEQILSLPELKANPFKERICRVFSTSPA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues self-bump: 2.16069 Ang CB(210) at 71.6148 19.4834 69.8462 in (null):D-9999 (27) and C(215) at 72.895 21.157 69.368 in (null):D-9999 (27) self-bump: 1.26127 Ang CA(209) at 71.481 20.737 69.882 in (null):D-9999 (27) and CB(210) at 71.6148 19.4834 69.8462 in (null):D-9999 (27) other bump:2.74157 Ang CE2(166) at 71.0879 30.9139 65.1283 in (null):F-9999 (21) and ND2(196) at 70.34 29.8539 67.5436 in (null):N-9999 (25) other bump:2.05032 Ang CD1(54) at 64.3588 19.9124 63.678 in (null):L-9999 (7) and OD1(182) at 65.7591 21.3113 64.2128 in (null):N-9999 (23) self-bump: 1.26959 Ang CA(108) at 59.926 24.205 54.002 in (null):N-9999 (14) and CB(109) at 59.5044 23.6576 52.9368 in (null):N-9999 (14) other bump:1.70447 Ang O(56) at 60.37 18.991 59.704 in (null):L-9999 (7) and OE1(103) at 59.9404 20.3681 60.6119 in (null):Q-9999 (13) other bump:2.49534 Ang C(57) at 61.544 18.633 59.809 in (null):L-9999 (7) and OE1(103) at 59.9404 20.3681 60.6119 in (null):Q-9999 (13) other bump:2.89162 Ang CD1(15) at 62.8849 13.8165 64.5311 in (null):L-9999 (2) and CB(43) at 62.9833 13.4722 61.6617 in (null):K-9999 (6) T0136 66 :TELRDIVPIDGK 1dguA 118 :EDLSRLVNCLTG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.48047 Ang O(35) at 74.04 36.733 54.537 in (null):R-9999 (4) and CD(64) at 72.6138 37.0098 54.2521 in (null):P-9999 (8) neighbor-bump: 3.04124 Ang CG1(56) at 72.027 39.714 55.514 in (null):V-9999 (7) and CD(64) at 72.6138 37.0098 54.2521 in (null):P-9999 (8) other bump:2.65374 Ang C(36) at 75.071 36.699 55.205 in (null):R-9999 (4) and CD(64) at 72.6138 37.0098 54.2521 in (null):P-9999 (8) other bump:1.77701 Ang O(35) at 74.04 36.733 54.537 in (null):R-9999 (4) and CG(63) at 73.3041 36.7821 52.9203 in (null):P-9999 (8) other bump:2.88943 Ang C(36) at 75.071 36.699 55.205 in (null):R-9999 (4) and CG(63) at 73.3041 36.7821 52.9203 in (null):P-9999 (8) T0136 78 :KGYDVRDVIAKI 1dguA 137 :SASEMKQLIDNI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.51026 Ang O(33) at 72.748 47.016 51.533 in (null):D-9999 (4) and CG2(65) at 72.3809 48.4498 53.5605 in (null):V-9999 (8) T0136 90 :VDWGDYLEVKAGY 1dguA 160 :INLSEFQHVISRS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.64767 Ang CD1(59) at 69.5945 43.3843 75.304 in (null):L-9999 (7) and O(91) at 67.854 45.307 75.837 in (null):A-9999 (11) other bump:2.36018 Ang CE1(49) at 70.7067 41.2845 67.0877 in (null):Y-9999 (6) and NZ(85) at 69.1611 40.3709 68.6196 in (null):K-9999 (10) other bump:1.00442 Ang CZ(51) at 69.688 40.849 67.9106 in (null):Y-9999 (6) and NZ(85) at 69.1611 40.3709 68.6196 in (null):K-9999 (10) other bump:1.45139 Ang OH(52) at 68.4436 40.5675 67.3733 in (null):Y-9999 (6) and NZ(85) at 69.1611 40.3709 68.6196 in (null):K-9999 (10) other bump:2.40362 Ang CD2(48) at 71.1441 41.0219 69.8116 in (null):Y-9999 (6) and NZ(85) at 69.1611 40.3709 68.6196 in (null):K-9999 (10) other bump:1.04496 Ang CE2(50) at 69.9107 40.7091 69.2643 in (null):Y-9999 (6) and NZ(85) at 69.1611 40.3709 68.6196 in (null):K-9999 (10) other bump:2.65234 Ang CE1(49) at 70.7067 41.2845 67.0877 in (null):Y-9999 (6) and CE(84) at 68.3145 41.5715 68.1966 in (null):K-9999 (10) other bump:1.57815 Ang CZ(51) at 69.688 40.849 67.9106 in (null):Y-9999 (6) and CE(84) at 68.3145 41.5715 68.1966 in (null):K-9999 (10) other bump:1.30478 Ang OH(52) at 68.4436 40.5675 67.3733 in (null):Y-9999 (6) and CE(84) at 68.3145 41.5715 68.1966 in (null):K-9999 (10) other bump:2.1051 Ang CE2(50) at 69.9107 40.7091 69.2643 in (null):Y-9999 (6) and CE(84) at 68.3145 41.5715 68.1966 in (null):K-9999 (10) other bump:2.81804 Ang CD1(47) at 71.9384 41.5971 67.648 in (null):Y-9999 (6) and CD(83) at 69.3163 42.6275 67.7155 in (null):K-9999 (10) other bump:2.03246 Ang CE1(49) at 70.7067 41.2845 67.0877 in (null):Y-9999 (6) and CD(83) at 69.3163 42.6275 67.7155 in (null):K-9999 (10) other bump:1.82739 Ang CZ(51) at 69.688 40.849 67.9106 in (null):Y-9999 (6) and CD(83) at 69.3163 42.6275 67.7155 in (null):K-9999 (10) other bump:2.26321 Ang OH(52) at 68.4436 40.5675 67.3733 in (null):Y-9999 (6) and CD(83) at 69.3163 42.6275 67.7155 in (null):K-9999 (10) other bump:2.53612 Ang CE2(50) at 69.9107 40.7091 69.2643 in (null):Y-9999 (6) and CD(83) at 69.3163 42.6275 67.7155 in (null):K-9999 (10) Number of specific fragments= 5 total=555 Number of alignments=169 # Reading fragments from alignment file # T0136 read from 1dguA-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1dguA read from 1dguA-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGEDVTADELGGAEAHMAISGNIHFVAEDD 1dguA 1 :SKELLAEYQDLTFLTKQEILLAHRRFCELLP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.35636 Ang CG1(3) at 64.1508 10.8334 71.7536 in (null):V-9999 (0) and CZ(181) at 63.594 12.987 70.976 in (null):F-9999 (25) other bump:2.07019 Ang CG1(3) at 64.1508 10.8334 71.7536 in (null):V-9999 (0) and CE2(180) at 62.634 12.239 71.656 in (null):F-9999 (25) self-bump: 1.39419 Ang CA(36) at 68.77 8.621 82.141 in (null):V-9999 (5) and CB(37) at 69.6494 7.54053 82.0858 in (null):V-9999 (5) T0136 32 :DAAELIAKKLLS 1dguA 41 :LRAQVPFEQILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.89162 Ang CD1(33) at 62.8849 13.8165 64.5311 in (null):L-9999 (5) and CB(61) at 62.9833 13.4722 61.6617 in (null):K-9999 (9) T0136 45 :LPQNNT 1dguA 53 :LPELKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 1.26959 Ang CA(35) at 59.926 24.205 54.002 in (null):N-9999 (5) and CB(36) at 59.5044 23.6577 52.9368 in (null):N-9999 (5) T0136 51 :EEASFVN 1dguA 76 :DSLSFED Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.42456 Ang CB(13) at 69.5242 15.9247 65.4608 in (null):E-9999 (2) and N(20) at 68.706 16.757 67.586 in (null):A-9999 (3) neighbor-bump: 2.48665 Ang CG(14) at 68.7383 14.7659 66.0967 in (null):E-9999 (2) and N(20) at 68.706 16.757 67.586 in (null):A-9999 (3) T0136 58 :PNNDVSPNTELRDIVPIDGKKGY 1dguA 110 :DDDGTLNREDLSRLVNCLTGEGE Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues self-bump: 1.38082 Ang CA(156) at 63.637 33.81 48.585 in (null):K-9999 (21) and CB(157) at 62.8039 33.4244 49.6165 in (null):K-9999 (21) other bump:1.48047 Ang O(94) at 74.04 36.733 54.537 in (null):R-9999 (12) and CD(123) at 72.6138 37.0098 54.2521 in (null):P-9999 (16) other bump:2.65374 Ang C(95) at 75.071 36.699 55.205 in (null):R-9999 (12) and CD(123) at 72.6138 37.0098 54.2521 in (null):P-9999 (16) neighbor-bump: 3.04124 Ang CG1(115) at 72.027 39.714 55.514 in (null):V-9999 (15) and CD(123) at 72.6138 37.0098 54.2521 in (null):P-9999 (16) other bump:1.77701 Ang O(94) at 74.04 36.733 54.537 in (null):R-9999 (12) and CG(122) at 73.3041 36.7821 52.9203 in (null):P-9999 (16) other bump:2.88943 Ang C(95) at 75.071 36.699 55.205 in (null):R-9999 (12) and CG(122) at 73.3041 36.7821 52.9203 in (null):P-9999 (16) other bump:2.47648 Ang CB(48) at 82.1799 37.089 62.1834 in (null):P-9999 (7) and OE1(73) at 80.8551 35.26 61.1674 in (null):E-9999 (10) other bump:2.04953 Ang CG(49) at 81.7018 35.8932 62.9232 in (null):P-9999 (7) and OE1(73) at 80.8551 35.26 61.1674 in (null):E-9999 (10) other bump:2.61662 Ang CD(50) at 80.3759 36.2078 63.5588 in (null):P-9999 (7) and OE1(73) at 80.8551 35.26 61.1674 in (null):E-9999 (10) other bump:2.78645 Ang CG(49) at 81.7018 35.8932 62.9232 in (null):P-9999 (7) and CD(72) at 80.6786 34.0241 61.1276 in (null):E-9999 (10) self-bump: 1.37312 Ang CA(54) at 80.565 40.043 59.106 in (null):N-9999 (8) and CB(55) at 80.9714 41.1254 58.3652 in (null):N-9999 (8) self-bump: 2.13937 Ang CA(3) at 79.745 28.895 65.03 in (null):P-9999 (1) and CD(6) at 80.1943 30.7137 63.9969 in (null):P-9999 (1) self-bump: 2.06752 Ang CA(3) at 79.745 28.895 65.03 in (null):P-9999 (1) and CG(5) at 81.3608 29.7559 64.0693 in (null):P-9999 (1) T0136 81 :DVRDVIAKIV 1dguA 140 :EMKQLIDNIL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.51026 Ang O(8) at 72.748 47.016 51.533 in (null):D-9999 (1) and CG2(40) at 72.3809 48.4498 53.5605 in (null):V-9999 (5) T0136 91 :DWGDYLEVKAGY 1dguA 161 :NLSEFQHVISRS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.64767 Ang CD1(52) at 69.5945 43.3843 75.304 in (null):L-9999 (6) and O(84) at 67.854 45.307 75.837 in (null):A-9999 (10) other bump:2.40362 Ang CD2(41) at 71.1441 41.0219 69.8116 in (null):Y-9999 (5) and NZ(78) at 69.1611 40.3709 68.6196 in (null):K-9999 (9) other bump:2.36018 Ang CE1(42) at 70.7067 41.2845 67.0877 in (null):Y-9999 (5) and NZ(78) at 69.1611 40.3709 68.6196 in (null):K-9999 (9) other bump:1.04496 Ang CE2(43) at 69.9107 40.7091 69.2643 in (null):Y-9999 (5) and NZ(78) at 69.1611 40.3709 68.6196 in (null):K-9999 (9) other bump:1.00442 Ang CZ(44) at 69.688 40.849 67.9106 in (null):Y-9999 (5) and NZ(78) at 69.1611 40.3709 68.6196 in (null):K-9999 (9) other bump:1.45139 Ang OH(45) at 68.4436 40.5675 67.3733 in (null):Y-9999 (5) and NZ(78) at 69.1611 40.3709 68.6196 in (null):K-9999 (9) other bump:2.65234 Ang CE1(42) at 70.7067 41.2845 67.0877 in (null):Y-9999 (5) and CE(77) at 68.3145 41.5715 68.1966 in (null):K-9999 (9) other bump:2.1051 Ang CE2(43) at 69.9107 40.7091 69.2643 in (null):Y-9999 (5) and CE(77) at 68.3145 41.5715 68.1966 in (null):K-9999 (9) other bump:1.57815 Ang CZ(44) at 69.688 40.849 67.9106 in (null):Y-9999 (5) and CE(77) at 68.3145 41.5715 68.1966 in (null):K-9999 (9) other bump:1.30478 Ang OH(45) at 68.4436 40.5675 67.3733 in (null):Y-9999 (5) and CE(77) at 68.3145 41.5715 68.1966 in (null):K-9999 (9) other bump:2.81804 Ang CD1(40) at 71.9384 41.5971 67.648 in (null):Y-9999 (5) and CD(76) at 69.3163 42.6275 67.7155 in (null):K-9999 (9) other bump:2.03246 Ang CE1(42) at 70.7067 41.2845 67.0877 in (null):Y-9999 (5) and CD(76) at 69.3163 42.6275 67.7155 in (null):K-9999 (9) other bump:2.53612 Ang CE2(43) at 69.9107 40.7091 69.2643 in (null):Y-9999 (5) and CD(76) at 69.3163 42.6275 67.7155 in (null):K-9999 (9) other bump:1.82739 Ang CZ(44) at 69.688 40.849 67.9106 in (null):Y-9999 (5) and CD(76) at 69.3163 42.6275 67.7155 in (null):K-9999 (9) other bump:2.26321 Ang OH(45) at 68.4436 40.5675 67.3733 in (null):Y-9999 (5) and CD(76) at 69.3163 42.6275 67.7155 in (null):K-9999 (9) Number of specific fragments= 7 total=562 Number of alignments=170 # Reading fragments from alignment file # T0136 read from 1dguA-T0136-local-adpstyle1.pw.a2m.gz # 1dguA read from 1dguA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 27 :VAEDDDAAELIAKKLLSFLPQNN 1dguA 134 :TRLSASEMKQLIDNILEESDIDR Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.05819 Ang C(120) at 79.927 47.626 62.309 in (null):L-9999 (16) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) other bump:1.9966 Ang O(119) at 80.195 47.808 63.491 in (null):L-9999 (16) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) neighbor-bump: 2.39783 Ang N(138) at 77.561 49.572 65.192 in (null):L-9999 (19) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) neighbor-bump: 2.37452 Ang CA(139) at 77.403 48.741 66.418 in (null):L-9999 (19) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) neighbor-bump: 1.9011 Ang C(145) at 78.708 48.169 67.071 in (null):L-9999 (19) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) self-bump: 1.21244 Ang N(146) at 79.865 48.104 66.381 in (null):P-9999 (20) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) other bump:3.1328 Ang CA(114) at 79.001 46.416 61.936 in (null):L-9999 (16) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) other bump:2.34795 Ang C(120) at 79.927 47.626 62.309 in (null):L-9999 (16) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) other bump:1.23256 Ang O(119) at 80.195 47.808 63.491 in (null):L-9999 (16) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) self-bump: 2.09091 Ang N(146) at 79.865 48.104 66.381 in (null):P-9999 (20) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) other bump:2.37246 Ang O(119) at 80.195 47.808 63.491 in (null):L-9999 (16) and CB(148) at 81.7079 47.6772 65.3138 in (null):P-9999 (20) other bump:3.17634 Ang CA(53) at 72.285 44.333 52.179 in (null):A-9999 (8) and CG2(78) at 72.3894 46.1633 54.7729 in (null):I-9999 (11) Number of specific fragments= 1 total=563 Number of alignments=171 # Reading fragments from alignment file # T0136 read from 1dguA-T0136-local-adpstyle5.pw.a2m.gz # 1dguA read from 1dguA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1dguA in template set Number of specific fragments= 0 total=563 # Reading fragments from alignment file # T0136 read from 1dguA-T0136-vit-adpstyle1.pw.a2m.gz # 1dguA read from 1dguA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 27 :VAEDDDAAELIAKKLLSFLPQNN 1dguA 134 :TRLSASEMKQLIDNILEESDIDR Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.05819 Ang C(120) at 79.927 47.626 62.309 in (null):L-9999 (16) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) other bump:1.9966 Ang O(119) at 80.195 47.808 63.491 in (null):L-9999 (16) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) neighbor-bump: 2.39783 Ang N(138) at 77.561 49.572 65.192 in (null):L-9999 (19) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) neighbor-bump: 2.37452 Ang CA(139) at 77.403 48.741 66.418 in (null):L-9999 (19) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) neighbor-bump: 1.9011 Ang C(145) at 78.708 48.169 67.071 in (null):L-9999 (19) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) self-bump: 1.21244 Ang N(146) at 79.865 48.104 66.381 in (null):P-9999 (20) and CD(150) at 79.3486 47.9769 65.2914 in (null):P-9999 (20) other bump:3.1328 Ang CA(114) at 79.001 46.416 61.936 in (null):L-9999 (16) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) other bump:2.34795 Ang C(120) at 79.927 47.626 62.309 in (null):L-9999 (16) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) other bump:1.23256 Ang O(119) at 80.195 47.808 63.491 in (null):L-9999 (16) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) self-bump: 2.09091 Ang N(146) at 79.865 48.104 66.381 in (null):P-9999 (20) and CG(149) at 80.4772 47.2706 64.5637 in (null):P-9999 (20) other bump:2.37246 Ang O(119) at 80.195 47.808 63.491 in (null):L-9999 (16) and CB(148) at 81.7079 47.6772 65.3138 in (null):P-9999 (20) other bump:3.17634 Ang CA(53) at 72.285 44.333 52.179 in (null):A-9999 (8) and CG2(78) at 72.3894 46.1633 54.7729 in (null):I-9999 (11) Number of specific fragments= 1 total=564 Number of alignments=172 # Reading fragments from alignment file # T0136 read from 1dguA-T0136-vit-adpstyle5.pw.a2m.gz # 1dguA read from 1dguA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1dguA in template set Number of specific fragments= 0 total=564 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VT 1dguA 1 :SK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 18 :MAISGNIHFVAEDDDAAELIAKKLLSFLPQNN 1dguA 3 :ELLAEYQDLTFLTKQEILLAHRRFCELLPQEQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:1.63648 Ang OE1(87) at 56.8897 21.5512 78.0615 in (null):E-9999 (12) and CD1(147) at 57.1435 21.1548 76.4942 in (null):I-9999 (20) other bump:2.19259 Ang CD(86) at 57.5393 22.6278 78.0693 in (null):E-9999 (12) and CD1(147) at 57.1435 21.1548 76.4942 in (null):I-9999 (20) other bump:2.23196 Ang OE2(88) at 58.2002 23.0324 77.0767 in (null):E-9999 (12) and CD1(147) at 57.1435 21.1548 76.4942 in (null):I-9999 (20) other bump:3.02987 Ang C(58) at 65.834 21.39 83.283 in (null):H-9999 (8) and CG2(74) at 63.8275 22.4934 81.299 in (null):V-9999 (10) other bump:3.10192 Ang CB(35) at 66.2872 14.5882 81.8076 in (null):N-9999 (6) and CD2(53) at 65.4991 17.4111 80.7915 in (null):H-9999 (8) other bump:2.69916 Ang CE(7) at 65.2691 4.72903 80.9294 in (null):M-9999 (1) and CD1(20) at 63.5543 4.46499 82.997 in (null):I-9999 (3) other bump:2.81686 Ang CE(7) at 65.2691 4.72903 80.9294 in (null):M-9999 (1) and CB(17) at 65.0662 6.51791 83.0958 in (null):I-9999 (3) T0136 56 :VNPNNDVSPNTELRDIVPIDGKKGYDVRDVIAK 1dguA 35 :RSVESSLRAQVPFEQILSLPELKANPFKERICR Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.08984 Ang CG(186) at 58.8634 28.2165 58.129 in (null):Y-9999 (25) and CZ(216) at 59.4841 27.0698 60.9302 in (null):R-9999 (28) other bump:1.92683 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.81308 Ang C(160) at 56.639 24.389 57.641 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.18332 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CD1(187) at 58.1757 27.1767 57.5309 in (null):Y-9999 (25) other bump:3.08226 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42951 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.45636 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.95769 Ang N(119) at 62.652 16.717 61.1 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.30845 Ang CA(120) at 62.08 18.102 61.19 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.66681 Ang C(126) at 61.544 18.633 59.809 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) neighbor-bump: 2.56935 Ang N(127) at 62.354 18.595 58.737 in (null):V-9999 (17) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) self-bump: 1.38002 Ang N(134) at 60.433 16.705 57.482 in (null):P-9999 (18) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42147 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.18753 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.55936 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.28598 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.49678 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.44413 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:3.22588 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.76908 Ang ND2(72) at 68.3462 10.1732 63.6777 in (null):N-9999 (10) and CG(86) at 68.3706 12.54 62.2406 in (null):E-9999 (12) other bump:2.80931 Ang C(54) at 68.909 9.157 71.214 in (null):V-9999 (7) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.46725 Ang N(55) at 70.074 9.406 71.844 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.46962 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.40872 Ang O(59) at 72.722 11.237 70.5 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 1.79705 Ang C(60) at 71.496 11.096 70.54 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.29324 Ang CG(43) at 71.5639 7.0668 67.1312 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:1.51023 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:2.76981 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) self-bump: 1.33236 Ang CA(62) at 71.232 11.235 68.044 in (null):P-9999 (9) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) neighbor-bump: 2.1425 Ang OD1(37) at 69.0987 3.11856 66.2667 in (null):N-9999 (5) and N(40) at 68.868 4.475 67.909 in (null):D-9999 (6) self-bump: 1.3586 Ang CA(10) at 59.784 0.636 63.963 in (null):N-9999 (2) and CB(11) at 59.1973 -0.571017 63.7515 in (null):N-9999 (2) T0136 89 :IVDWGDYLEVKAGYA 1dguA 89 :VFSDTATPDIKSHYA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.31075 Ang CD1(7) at 65.0453 29.7986 72.5118 in (null):I-9999 (1) and CD2(110) at 66.914 29.716 71.155 in (null):Y-9999 (14) other bump:2.75676 Ang CD1(7) at 65.0453 29.7986 72.5118 in (null):I-9999 (1) and CG(108) at 66.686 31.004 70.653 in (null):Y-9999 (14) other bump:2.22731 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:1.08102 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:2.20024 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:1.02528 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:2.57822 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.33335 Ang OD2(22) at 58.7508 28.5271 79.9839 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.21278 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.47558 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:2.79232 Ang OD2(22) at 58.7508 28.5271 79.9839 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.99687 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:3.22419 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.69405 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.55515 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) other bump:2.46412 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) Number of specific fragments= 4 total=568 Number of alignments=173 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTG 1dguA 1 :SKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 19 :AISGNIHFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1dguA 4 :LLAEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPF Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.75294 Ang C(291) at 68.909 9.157 71.214 in (null):V-9999 (38) and CD(304) at 71.277 9.82514 69.9791 in (null):P-9999 (40) neighbor-bump: 2.25848 Ang N(292) at 70.074 9.406 71.844 in (null):N-9999 (39) and CD(304) at 71.277 9.82514 69.9791 in (null):P-9999 (40) neighbor-bump: 2.18547 Ang CA(293) at 70.702 10.772 71.863 in (null):N-9999 (39) and CD(304) at 71.277 9.82514 69.9791 in (null):P-9999 (40) neighbor-bump: 2.08636 Ang O(298) at 72.722 11.237 70.5 in (null):N-9999 (39) and CD(304) at 71.277 9.82514 69.9791 in (null):P-9999 (40) neighbor-bump: 1.40631 Ang C(299) at 71.496 11.096 70.54 in (null):N-9999 (39) and CD(304) at 71.277 9.82514 69.9791 in (null):P-9999 (40) neighbor-bump: 2.34653 Ang O(298) at 72.722 11.237 70.5 in (null):N-9999 (39) and CG(303) at 72.3739 9.4738 68.9913 in (null):P-9999 (40) neighbor-bump: 2.40844 Ang C(299) at 71.496 11.096 70.54 in (null):N-9999 (39) and CG(303) at 72.3739 9.4738 68.9913 in (null):P-9999 (40) other bump:2.19618 Ang ND2(234) at 64.4289 4.165 66.4015 in (null):N-9999 (31) and CA(264) at 63.96 3.009 68.209 in (null):A-9999 (35) other bump:3.25816 Ang CG(233) at 64.6377 3.85914 65.1268 in (null):N-9999 (31) and C(262) at 63.572 1.155 66.599 in (null):E-9999 (34) other bump:2.66445 Ang OD1(235) at 64.657 2.70048 64.7192 in (null):N-9999 (31) and C(262) at 63.572 1.155 66.599 in (null):E-9999 (34) other bump:2.30662 Ang CG(233) at 64.6377 3.85914 65.1268 in (null):N-9999 (31) and O(261) at 64.355 1.669 65.793 in (null):E-9999 (34) other bump:1.51926 Ang OD1(235) at 64.657 2.70048 64.7192 in (null):N-9999 (31) and O(261) at 64.355 1.669 65.793 in (null):E-9999 (34) other bump:1.63648 Ang OE1(79) at 56.8897 21.5512 78.0615 in (null):E-9999 (11) and CD1(139) at 57.1435 21.1548 76.4942 in (null):I-9999 (19) other bump:2.19259 Ang CD(78) at 57.5393 22.6278 78.0693 in (null):E-9999 (11) and CD1(139) at 57.1435 21.1548 76.4942 in (null):I-9999 (19) other bump:2.23196 Ang OE2(80) at 58.2002 23.0324 77.0767 in (null):E-9999 (11) and CD1(139) at 57.1435 21.1548 76.4942 in (null):I-9999 (19) other bump:3.02987 Ang C(50) at 65.834 21.39 83.283 in (null):H-9999 (7) and CG2(66) at 63.8275 22.4934 81.299 in (null):V-9999 (9) other bump:3.10192 Ang CB(27) at 66.2872 14.5882 81.8076 in (null):N-9999 (5) and CD2(45) at 65.4991 17.4111 80.7915 in (null):H-9999 (7) T0136 63 :SPNTELRDIVPIDGKK 1dguA 60 :PFKERICRVFSTSPAK Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.35829 Ang CE(113) at 74.3175 15.776 56.0791 in (null):K-9999 (15) and NZ(123) at 72.289 14.593 56.296 in (null):K-9999 (16) self-bump: 1.34729 Ang CA(97) at 77.392 20.239 66.45 in (null):D-9999 (13) and CB(98) at 78.4321 20.0023 67.2729 in (null):D-9999 (13) neighbor-bump: 2.72738 Ang CB(76) at 67.5726 22.809 69.2062 in (null):V-9999 (10) and CD(85) at 69.3055 20.7101 69.0315 in (null):P-9999 (11) neighbor-bump: 2.59048 Ang CG1(77) at 67.0459 21.5907 69.9424 in (null):V-9999 (10) and CD(85) at 69.3055 20.7101 69.0315 in (null):P-9999 (11) self-bump: 1.32454 Ang CA(82) at 71.481 20.737 69.882 in (null):P-9999 (11) and CB(83) at 71.2198 19.4548 69.6765 in (null):P-9999 (11) neighbor-bump: 2.41178 Ang N(2) at 63.184 29.994 56.414 in (null):S-9999 (1) and CD(12) at 64.2244 30.9378 58.3745 in (null):P-9999 (2) neighbor-bump: 2.31705 Ang CA(3) at 64.677 30.054 56.281 in (null):S-9999 (1) and CD(12) at 64.2244 30.9378 58.3745 in (null):P-9999 (2) neighbor-bump: 2.85067 Ang CB(4) at 65.0529 31.4466 55.6948 in (null):S-9999 (1) and CD(12) at 64.2244 30.9378 58.3745 in (null):P-9999 (2) neighbor-bump: 2.40416 Ang OG(5) at 64.6746 32.4801 56.5861 in (null):S-9999 (1) and CD(12) at 64.2244 30.9378 58.3745 in (null):P-9999 (2) neighbor-bump: 1.91545 Ang C(7) at 65.545 29.811 57.565 in (null):S-9999 (1) and CD(12) at 64.2244 30.9378 58.3745 in (null):P-9999 (2) self-bump: 1.25405 Ang N(8) at 64.932 29.971 58.745 in (null):P-9999 (2) and CD(12) at 64.2244 30.9378 58.3745 in (null):P-9999 (2) self-bump: 2.12658 Ang N(8) at 64.932 29.971 58.745 in (null):P-9999 (2) and CG(11) at 64.3066 31.8081 59.6147 in (null):P-9999 (2) T0136 79 :GYDVRDVIAK 1dguA 77 :SLSFEDFLDL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.14394 Ang CD1(10) at 68.6715 20.2877 68.7149 in (null):Y-9999 (2) and NZ(78) at 67.6776 22.1767 68.5146 in (null):K-9999 (10) other bump:1.85072 Ang CE1(12) at 69.3234 21.3904 68.2014 in (null):Y-9999 (2) and NZ(78) at 67.6776 22.1767 68.5146 in (null):K-9999 (10) other bump:2.59264 Ang CE2(13) at 68.0916 21.1613 66.1653 in (null):Y-9999 (2) and NZ(78) at 67.6776 22.1767 68.5146 in (null):K-9999 (10) other bump:2.11184 Ang CZ(14) at 69.03 21.8216 66.9319 in (null):Y-9999 (2) and NZ(78) at 67.6776 22.1767 68.5146 in (null):K-9999 (10) other bump:2.8054 Ang CD1(10) at 68.6715 20.2877 68.7149 in (null):Y-9999 (2) and CE(77) at 67.7393 22.6393 69.9279 in (null):K-9999 (10) other bump:2.65518 Ang CE1(12) at 69.3234 21.3904 68.2014 in (null):Y-9999 (2) and CE(77) at 67.7393 22.6393 69.9279 in (null):K-9999 (10) Number of specific fragments= 4 total=572 Number of alignments=174 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNN 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 56 :VNPNNDVSPNTELRDIVPIDGKKGYDVRDVIAKIV 1dguA 35 :RSVESSLRAQVPFEQILSLPELKANPFKERICRVF Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:3.08984 Ang CG(186) at 58.8634 28.2165 58.129 in (null):Y-9999 (25) and CZ(216) at 59.4841 27.0698 60.9302 in (null):R-9999 (28) other bump:1.92683 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.81308 Ang C(160) at 56.639 24.389 57.641 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.18332 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CD1(187) at 58.1757 27.1767 57.5309 in (null):Y-9999 (25) other bump:2.42147 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.18753 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.08226 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42951 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.45636 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.95769 Ang N(119) at 62.652 16.717 61.1 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.30845 Ang CA(120) at 62.08 18.102 61.19 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.66681 Ang C(126) at 61.544 18.633 59.809 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) neighbor-bump: 2.56935 Ang N(127) at 62.354 18.595 58.737 in (null):V-9999 (17) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) self-bump: 1.38002 Ang N(134) at 60.433 16.705 57.482 in (null):P-9999 (18) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.44413 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:3.22588 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.55936 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.28598 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.49678 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.76908 Ang ND2(72) at 68.3462 10.1732 63.6777 in (null):N-9999 (10) and CG(86) at 68.3706 12.54 62.2406 in (null):E-9999 (12) other bump:2.80931 Ang C(54) at 68.909 9.157 71.214 in (null):V-9999 (7) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.46962 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.46725 Ang N(55) at 70.074 9.406 71.844 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.40872 Ang O(59) at 72.722 11.237 70.5 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 1.79705 Ang C(60) at 71.496 11.096 70.54 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.29324 Ang CG(43) at 71.5639 7.0668 67.1312 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:1.51023 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:2.76981 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) self-bump: 1.33236 Ang CA(62) at 71.232 11.235 68.044 in (null):P-9999 (9) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) neighbor-bump: 2.1425 Ang OD1(37) at 69.0987 3.11856 66.2667 in (null):N-9999 (5) and N(40) at 68.868 4.475 67.909 in (null):D-9999 (6) self-bump: 1.3586 Ang CA(10) at 59.784 0.636 63.963 in (null):N-9999 (2) and CB(11) at 59.1973 -0.571017 63.7515 in (null):N-9999 (2) Number of specific fragments= 2 total=574 Number of alignments=175 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFV 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVESSL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues self-bump: 1.36639 Ang CA(247) at 68.313 7.71 71.157 in (null):V-9999 (32) and CB(248) at 67.7299 7.50502 72.3756 in (null):V-9999 (32) other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 63 :SPNTELRDIVPIDGKKGYDVRDVIAKIVDWG 1dguA 42 :RAQVPFEQILSLPELKANPFKERICRVFSTS Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.99389 Ang CZ2(237) at 75.2874 16.6191 62.8547 in (null):W-9999 (30) and CA(247) at 78.035 17.218 63.882 in (null):G-9999 (32) other bump:2.68156 Ang CZ3(238) at 76.2843 18.8179 62.6305 in (null):W-9999 (30) and CA(247) at 78.035 17.218 63.882 in (null):G-9999 (32) other bump:2.42593 Ang CH2(239) at 76.2197 17.4543 62.2902 in (null):W-9999 (30) and CA(247) at 78.035 17.218 63.882 in (null):G-9999 (32) other bump:3.11492 Ang CZ3(238) at 76.2843 18.8179 62.6305 in (null):W-9999 (30) and N(246) at 77.897 17.979 65.16 in (null):G-9999 (32) neighbor-bump: 2.75367 Ang CE3(235) at 75.4019 19.3697 63.5564 in (null):W-9999 (30) and C(245) at 77.624 19.322 65.182 in (null):G-9999 (31) neighbor-bump: 2.92556 Ang CZ3(238) at 76.2843 18.8179 62.6305 in (null):W-9999 (30) and C(245) at 77.624 19.322 65.182 in (null):G-9999 (31) neighbor-bump: 2.2626 Ang CE3(235) at 75.4019 19.3697 63.5564 in (null):W-9999 (30) and O(244) at 77.532 19.909 64.096 in (null):G-9999 (31) neighbor-bump: 2.21243 Ang CZ3(238) at 76.2843 18.8179 62.6305 in (null):W-9999 (30) and O(244) at 77.532 19.909 64.096 in (null):G-9999 (31) self-bump: 2.16069 Ang CB(222) at 71.6148 19.4834 69.8462 in (null):D-9999 (29) and C(227) at 72.895 21.157 69.368 in (null):D-9999 (29) self-bump: 1.26127 Ang CA(221) at 71.481 20.737 69.882 in (null):D-9999 (29) and CB(222) at 71.6148 19.4834 69.8462 in (null):D-9999 (29) other bump:3.08984 Ang CG(133) at 58.8634 28.2165 58.129 in (null):Y-9999 (18) and CZ(163) at 59.4841 27.0698 60.9302 in (null):R-9999 (21) other bump:2.81308 Ang C(107) at 56.639 24.389 57.641 in (null):G-9999 (14) and CE1(136) at 56.787 27.1905 57.434 in (null):Y-9999 (18) other bump:1.92683 Ang O(106) at 57.036 25.429 58.174 in (null):G-9999 (14) and CE1(136) at 56.787 27.1905 57.434 in (null):Y-9999 (18) other bump:2.18332 Ang O(106) at 57.036 25.429 58.174 in (null):G-9999 (14) and CD1(134) at 58.1757 27.1767 57.5309 in (null):Y-9999 (18) other bump:2.42147 Ang O(56) at 63.042 15.01 57.654 in (null):R-9999 (7) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:3.18753 Ang C(57) at 64.045 14.873 58.352 in (null):R-9999 (7) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:3.08226 Ang CA(59) at 62.701 14.314 60.37 in (null):D-9999 (8) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:2.42951 Ang O(64) at 60.704 15.634 60.835 in (null):D-9999 (8) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:2.45636 Ang C(65) at 61.934 15.622 60.798 in (null):D-9999 (8) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:2.66681 Ang C(73) at 61.544 18.633 59.809 in (null):I-9999 (9) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) neighbor-bump: 2.56935 Ang N(74) at 62.354 18.595 58.737 in (null):V-9999 (10) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) self-bump: 1.38002 Ang N(81) at 60.433 16.705 57.482 in (null):P-9999 (11) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:2.95769 Ang N(66) at 62.652 16.717 61.1 in (null):I-9999 (9) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:3.30845 Ang CA(67) at 62.08 18.102 61.19 in (null):I-9999 (9) and CD(85) at 61.2042 16.3046 58.5541 in (null):P-9999 (11) other bump:2.44413 Ang O(56) at 63.042 15.01 57.654 in (null):R-9999 (7) and CG(84) at 60.8377 14.839 58.6959 in (null):P-9999 (11) other bump:3.22588 Ang C(57) at 64.045 14.873 58.352 in (null):R-9999 (7) and CG(84) at 60.8377 14.839 58.6959 in (null):P-9999 (11) other bump:2.55936 Ang CA(59) at 62.701 14.314 60.37 in (null):D-9999 (8) and CG(84) at 60.8377 14.839 58.6959 in (null):P-9999 (11) other bump:2.28598 Ang O(64) at 60.704 15.634 60.835 in (null):D-9999 (8) and CG(84) at 60.8377 14.839 58.6959 in (null):P-9999 (11) other bump:2.49678 Ang C(65) at 61.934 15.622 60.798 in (null):D-9999 (8) and CG(84) at 60.8377 14.839 58.6959 in (null):P-9999 (11) other bump:2.76908 Ang ND2(19) at 68.3462 10.1732 63.6777 in (null):N-9999 (3) and CG(33) at 68.3706 12.54 62.2406 in (null):E-9999 (5) other bump:2.80931 Ang C(1) at 68.909 9.157 71.214 in (null):G-9999 (0) and CD(12) at 71.2175 9.55262 69.6626 in (null):P-9999 (2) neighbor-bump: 2.46725 Ang N(2) at 70.074 9.406 71.844 in (null):S-9999 (1) and CD(12) at 71.2175 9.55262 69.6626 in (null):P-9999 (2) neighbor-bump: 2.40872 Ang O(6) at 72.722 11.237 70.5 in (null):S-9999 (1) and CD(12) at 71.2175 9.55262 69.6626 in (null):P-9999 (2) neighbor-bump: 1.79705 Ang C(7) at 71.496 11.096 70.54 in (null):S-9999 (1) and CD(12) at 71.2175 9.55262 69.6626 in (null):P-9999 (2) self-bump: 1.33235 Ang CA(9) at 71.232 11.235 68.044 in (null):P-9999 (2) and CB(10) at 71.9875 10.2474 67.5655 in (null):P-9999 (2) Number of specific fragments= 2 total=576 Number of alignments=176 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGEDVTADEL 1dguA 1 :SKELLAEYQDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues self-bump: 1.39419 Ang CA(36) at 68.77 8.621 82.141 in (null):V-9999 (5) and CB(37) at 69.6494 7.54053 82.0858 in (null):V-9999 (5) T0136 27 :VAEDDDAAELIAKKLLSFLPQNNTE 1dguA 12 :TFLTKQEILLAHRRFCELLPQEQRS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.19259 Ang CD(18) at 57.5393 22.6278 78.0693 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) other bump:1.63648 Ang OE1(19) at 56.8897 21.5512 78.0615 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) other bump:2.23196 Ang OE2(20) at 58.2002 23.0324 77.0767 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) T0136 58 :PNNDVSPNTELRDIVPIDGKKGYDVRDVIAK 1dguA 37 :VESSLRAQVPFEQILSLPELKANPFKERICR Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.08984 Ang CG(171) at 58.8634 28.2165 58.129 in (null):Y-9999 (23) and CZ(201) at 59.4841 27.0698 60.9302 in (null):R-9999 (26) other bump:1.92683 Ang O(144) at 57.036 25.429 58.174 in (null):G-9999 (19) and CE1(174) at 56.787 27.1905 57.434 in (null):Y-9999 (23) other bump:2.81308 Ang C(145) at 56.639 24.389 57.641 in (null):G-9999 (19) and CE1(174) at 56.787 27.1905 57.434 in (null):Y-9999 (23) other bump:2.18332 Ang O(144) at 57.036 25.429 58.174 in (null):G-9999 (19) and CD1(172) at 58.1757 27.1767 57.5309 in (null):Y-9999 (23) other bump:3.08226 Ang CA(97) at 62.701 14.314 60.37 in (null):D-9999 (13) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.42951 Ang O(102) at 60.704 15.634 60.835 in (null):D-9999 (13) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.45636 Ang C(103) at 61.934 15.622 60.798 in (null):D-9999 (13) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.95769 Ang N(104) at 62.652 16.717 61.1 in (null):I-9999 (14) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:3.30845 Ang CA(105) at 62.08 18.102 61.19 in (null):I-9999 (14) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.66681 Ang C(111) at 61.544 18.633 59.809 in (null):I-9999 (14) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) neighbor-bump: 2.56935 Ang N(112) at 62.354 18.595 58.737 in (null):V-9999 (15) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) self-bump: 1.38002 Ang N(119) at 60.433 16.705 57.482 in (null):P-9999 (16) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.42147 Ang O(94) at 63.042 15.01 57.654 in (null):R-9999 (12) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:3.18753 Ang C(95) at 64.045 14.873 58.352 in (null):R-9999 (12) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.55936 Ang CA(97) at 62.701 14.314 60.37 in (null):D-9999 (13) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.28598 Ang O(102) at 60.704 15.634 60.835 in (null):D-9999 (13) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.49678 Ang C(103) at 61.934 15.622 60.798 in (null):D-9999 (13) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.44413 Ang O(94) at 63.042 15.01 57.654 in (null):R-9999 (12) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:3.22588 Ang C(95) at 64.045 14.873 58.352 in (null):R-9999 (12) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.76908 Ang ND2(57) at 68.3462 10.1732 63.6777 in (null):N-9999 (8) and CG(71) at 68.3706 12.54 62.2406 in (null):E-9999 (10) other bump:2.80931 Ang C(39) at 68.909 9.157 71.214 in (null):V-9999 (5) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) neighbor-bump: 2.46725 Ang N(40) at 70.074 9.406 71.844 in (null):S-9999 (6) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) other bump:2.46962 Ang OD1(29) at 71.7077 7.58049 68.2593 in (null):D-9999 (4) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) neighbor-bump: 2.40872 Ang O(44) at 72.722 11.237 70.5 in (null):S-9999 (6) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) neighbor-bump: 1.79705 Ang C(45) at 71.496 11.096 70.54 in (null):S-9999 (6) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) other bump:2.29324 Ang CG(28) at 71.5639 7.0668 67.1312 in (null):D-9999 (4) and CG(49) at 71.3989 9.05878 68.2554 in (null):P-9999 (7) other bump:1.51023 Ang OD1(29) at 71.7077 7.58049 68.2593 in (null):D-9999 (4) and CG(49) at 71.3989 9.05878 68.2554 in (null):P-9999 (7) other bump:2.76981 Ang OD1(29) at 71.7077 7.58049 68.2593 in (null):D-9999 (4) and CB(48) at 71.9875 10.2474 67.5655 in (null):P-9999 (7) self-bump: 1.33236 Ang CA(47) at 71.232 11.235 68.044 in (null):P-9999 (7) and CB(48) at 71.9875 10.2474 67.5655 in (null):P-9999 (7) neighbor-bump: 2.1425 Ang OD1(22) at 69.0987 3.11856 66.2667 in (null):N-9999 (3) and N(25) at 68.868 4.475 67.909 in (null):D-9999 (4) T0136 89 :IVDWGDYLEVKAGYATN 1dguA 162 :LSEFQHVISRSPDFASS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.1758 Ang CD(75) at 64.6568 43.5357 72.6306 in (null):E-9999 (9) and CB(119) at 64.249 41.118 74.649 in (null):A-9999 (15) other bump:2.23908 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and N(117) at 63.105 41.578 72.628 in (null):A-9999 (15) other bump:2.49812 Ang CD(75) at 64.6568 43.5357 72.6306 in (null):E-9999 (9) and N(117) at 63.105 41.578 72.628 in (null):A-9999 (15) other bump:2.54101 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and C(116) at 62.179 41.552 71.654 in (null):Y-9999 (14) other bump:1.9462 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and CB(107) at 62.9164 43.2721 69.9357 in (null):Y-9999 (14) other bump:2.30085 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and CA(106) at 61.808 42.903 70.934 in (null):Y-9999 (14) other bump:2.75362 Ang OE1(76) at 64.1566 44.1429 73.6076 in (null):E-9999 (9) and C(100) at 62.401 44.691 75.657 in (null):A-9999 (12) other bump:2.80467 Ang OE1(76) at 64.1566 44.1429 73.6076 in (null):E-9999 (9) and CA(97) at 63.819 44.996 76.258 in (null):A-9999 (12) other bump:3.06855 Ang CA(44) at 72.667 47.883 72.825 in (null):D-9999 (6) and CG2(84) at 70.4792 48.8813 74.731 in (null):V-9999 (10) other bump:2.605 Ang CZ2(34) at 68.7472 40.3267 69.1941 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:2.23294 Ang CD1(29) at 71.7586 41.6987 67.7579 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:2.7642 Ang CD2(30) at 71.0688 40.95 69.7548 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:1.85914 Ang CE2(31) at 69.9988 40.8359 68.8322 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:1.38161 Ang NE1(33) at 70.4466 41.299 67.6238 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:2.86138 Ang NE1(33) at 70.4466 41.299 67.6238 in (null):W-9999 (4) and CG(66) at 69.1321 43.8077 68.0308 in (null):L-9999 (8) Number of specific fragments= 4 total=580 Number of alignments=177 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGEDVTA 1dguA 1 :SKELLAEY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.39419 Ang CA(36) at 68.77 8.621 82.141 in (null):V-9999 (5) and CB(37) at 69.6494 7.54053 82.0858 in (null):V-9999 (5) T0136 24 :IHFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPN 1dguA 9 :QDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQ Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.75294 Ang C(260) at 68.909 9.157 71.214 in (null):V-9999 (33) and CD(273) at 71.277 9.82514 69.9791 in (null):P-9999 (35) neighbor-bump: 2.25848 Ang N(261) at 70.074 9.406 71.844 in (null):N-9999 (34) and CD(273) at 71.277 9.82514 69.9791 in (null):P-9999 (35) neighbor-bump: 2.18547 Ang CA(262) at 70.702 10.772 71.863 in (null):N-9999 (34) and CD(273) at 71.277 9.82514 69.9791 in (null):P-9999 (35) neighbor-bump: 2.08636 Ang O(267) at 72.722 11.237 70.5 in (null):N-9999 (34) and CD(273) at 71.277 9.82514 69.9791 in (null):P-9999 (35) neighbor-bump: 1.40631 Ang C(268) at 71.496 11.096 70.54 in (null):N-9999 (34) and CD(273) at 71.277 9.82514 69.9791 in (null):P-9999 (35) neighbor-bump: 2.34653 Ang O(267) at 72.722 11.237 70.5 in (null):N-9999 (34) and CG(272) at 72.3739 9.4738 68.9913 in (null):P-9999 (35) neighbor-bump: 2.40844 Ang C(268) at 71.496 11.096 70.54 in (null):N-9999 (34) and CG(272) at 72.3739 9.4738 68.9913 in (null):P-9999 (35) other bump:2.19618 Ang ND2(203) at 64.4289 4.165 66.4015 in (null):N-9999 (26) and CA(233) at 63.96 3.009 68.209 in (null):A-9999 (30) other bump:3.25816 Ang CG(202) at 64.6377 3.85914 65.1268 in (null):N-9999 (26) and C(231) at 63.572 1.155 66.599 in (null):E-9999 (29) other bump:2.66445 Ang OD1(204) at 64.657 2.70048 64.7192 in (null):N-9999 (26) and C(231) at 63.572 1.155 66.599 in (null):E-9999 (29) other bump:2.30662 Ang CG(202) at 64.6377 3.85914 65.1268 in (null):N-9999 (26) and O(230) at 64.355 1.669 65.793 in (null):E-9999 (29) other bump:1.51926 Ang OD1(204) at 64.657 2.70048 64.7192 in (null):N-9999 (26) and O(230) at 64.355 1.669 65.793 in (null):E-9999 (29) other bump:1.63648 Ang OE1(48) at 56.8897 21.5512 78.0615 in (null):E-9999 (6) and CD1(108) at 57.1435 21.1548 76.4942 in (null):I-9999 (14) other bump:2.19259 Ang CD(47) at 57.5393 22.6278 78.0693 in (null):E-9999 (6) and CD1(108) at 57.1435 21.1548 76.4942 in (null):I-9999 (14) other bump:2.23196 Ang OE2(49) at 58.2002 23.0324 77.0767 in (null):E-9999 (6) and CD1(108) at 57.1435 21.1548 76.4942 in (null):I-9999 (14) other bump:3.02987 Ang C(19) at 65.834 21.39 83.283 in (null):H-9999 (2) and CG2(35) at 63.8275 22.4934 81.299 in (null):V-9999 (4) T0136 66 :TELRDIVPIDGKKGYDVRDVIAK 1dguA 45 :VPFEQILSLPELKANPFKERICR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.08984 Ang CG(112) at 58.8634 28.2165 58.129 in (null):Y-9999 (15) and CZ(142) at 59.4841 27.0698 60.9302 in (null):R-9999 (18) other bump:2.81308 Ang C(86) at 56.639 24.389 57.641 in (null):G-9999 (11) and CE1(115) at 56.787 27.1905 57.434 in (null):Y-9999 (15) other bump:1.92683 Ang O(85) at 57.036 25.429 58.174 in (null):G-9999 (11) and CE1(115) at 56.787 27.1905 57.434 in (null):Y-9999 (15) other bump:2.18332 Ang O(85) at 57.036 25.429 58.174 in (null):G-9999 (11) and CD1(113) at 58.1757 27.1767 57.5309 in (null):Y-9999 (15) other bump:3.08226 Ang CA(38) at 62.701 14.314 60.37 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) self-bump: 1.38002 Ang N(60) at 60.433 16.705 57.482 in (null):P-9999 (8) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.42951 Ang O(43) at 60.704 15.634 60.835 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.45636 Ang C(44) at 61.934 15.622 60.798 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.95769 Ang N(45) at 62.652 16.717 61.1 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.66681 Ang C(52) at 61.544 18.633 59.809 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) neighbor-bump: 2.56935 Ang N(53) at 62.354 18.595 58.737 in (null):V-9999 (7) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.30845 Ang CA(46) at 62.08 18.102 61.19 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.42147 Ang O(35) at 63.042 15.01 57.654 in (null):R-9999 (4) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.18753 Ang C(36) at 64.045 14.873 58.352 in (null):R-9999 (4) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.55936 Ang CA(38) at 62.701 14.314 60.37 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.28598 Ang O(43) at 60.704 15.634 60.835 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.49678 Ang C(44) at 61.934 15.622 60.798 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.44413 Ang O(35) at 63.042 15.01 57.654 in (null):R-9999 (4) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:3.22588 Ang C(36) at 64.045 14.873 58.352 in (null):R-9999 (4) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) T0136 89 :IVDWGDYLEVKAGYAT 1dguA 162 :LSEFQHVISRSPDFAS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.1758 Ang CD(75) at 64.6568 43.5357 72.6306 in (null):E-9999 (9) and CB(119) at 64.249 41.118 74.649 in (null):A-9999 (15) other bump:2.49812 Ang CD(75) at 64.6568 43.5357 72.6306 in (null):E-9999 (9) and N(117) at 63.105 41.578 72.628 in (null):A-9999 (15) other bump:2.23908 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and N(117) at 63.105 41.578 72.628 in (null):A-9999 (15) other bump:2.54101 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and C(116) at 62.179 41.552 71.654 in (null):Y-9999 (14) other bump:1.9462 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and CB(107) at 62.9164 43.2721 69.9357 in (null):Y-9999 (14) other bump:2.30085 Ang OE2(77) at 63.9749 43.3475 71.5671 in (null):E-9999 (9) and CA(106) at 61.808 42.903 70.934 in (null):Y-9999 (14) other bump:2.75362 Ang OE1(76) at 64.1566 44.1429 73.6076 in (null):E-9999 (9) and C(100) at 62.401 44.691 75.657 in (null):A-9999 (12) other bump:2.80467 Ang OE1(76) at 64.1566 44.1429 73.6076 in (null):E-9999 (9) and CA(97) at 63.819 44.996 76.258 in (null):A-9999 (12) other bump:3.06855 Ang CA(44) at 72.667 47.883 72.825 in (null):D-9999 (6) and CG2(84) at 70.4792 48.8813 74.731 in (null):V-9999 (10) other bump:2.605 Ang CZ2(34) at 68.7472 40.3267 69.1941 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:2.7642 Ang CD2(30) at 71.0688 40.95 69.7548 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:1.85914 Ang CE2(31) at 69.9988 40.8359 68.8322 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:1.38161 Ang NE1(33) at 70.4466 41.299 67.6238 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:2.23294 Ang CD1(29) at 71.7586 41.6987 67.7579 in (null):W-9999 (4) and CD1(67) at 69.639 42.3906 67.8784 in (null):L-9999 (8) other bump:2.86138 Ang NE1(33) at 70.4466 41.299 67.6238 in (null):W-9999 (4) and CG(66) at 69.1321 43.8077 68.0308 in (null):L-9999 (8) Number of specific fragments= 4 total=584 Number of alignments=178 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTE 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 58 :PNNDVSPNTELRDIVPIDGKKGYDVRDVIAKIV 1dguA 37 :VESSLRAQVPFEQILSLPELKANPFKERICRVF Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.08984 Ang CG(171) at 58.8634 28.2165 58.129 in (null):Y-9999 (23) and CZ(201) at 59.4841 27.0698 60.9302 in (null):R-9999 (26) other bump:1.92683 Ang O(144) at 57.036 25.429 58.174 in (null):G-9999 (19) and CE1(174) at 56.787 27.1905 57.434 in (null):Y-9999 (23) other bump:2.81308 Ang C(145) at 56.639 24.389 57.641 in (null):G-9999 (19) and CE1(174) at 56.787 27.1905 57.434 in (null):Y-9999 (23) other bump:2.18332 Ang O(144) at 57.036 25.429 58.174 in (null):G-9999 (19) and CD1(172) at 58.1757 27.1767 57.5309 in (null):Y-9999 (23) other bump:2.42147 Ang O(94) at 63.042 15.01 57.654 in (null):R-9999 (12) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:3.18753 Ang C(95) at 64.045 14.873 58.352 in (null):R-9999 (12) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:3.08226 Ang CA(97) at 62.701 14.314 60.37 in (null):D-9999 (13) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.42951 Ang O(102) at 60.704 15.634 60.835 in (null):D-9999 (13) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.45636 Ang C(103) at 61.934 15.622 60.798 in (null):D-9999 (13) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.95769 Ang N(104) at 62.652 16.717 61.1 in (null):I-9999 (14) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:3.30845 Ang CA(105) at 62.08 18.102 61.19 in (null):I-9999 (14) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.66681 Ang C(111) at 61.544 18.633 59.809 in (null):I-9999 (14) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) neighbor-bump: 2.56935 Ang N(112) at 62.354 18.595 58.737 in (null):V-9999 (15) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) self-bump: 1.38002 Ang N(119) at 60.433 16.705 57.482 in (null):P-9999 (16) and CD(123) at 61.2042 16.3046 58.5541 in (null):P-9999 (16) other bump:2.44413 Ang O(94) at 63.042 15.01 57.654 in (null):R-9999 (12) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:3.22588 Ang C(95) at 64.045 14.873 58.352 in (null):R-9999 (12) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.55936 Ang CA(97) at 62.701 14.314 60.37 in (null):D-9999 (13) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.28598 Ang O(102) at 60.704 15.634 60.835 in (null):D-9999 (13) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.49678 Ang C(103) at 61.934 15.622 60.798 in (null):D-9999 (13) and CG(122) at 60.8377 14.839 58.6959 in (null):P-9999 (16) other bump:2.76908 Ang ND2(57) at 68.3462 10.1732 63.6777 in (null):N-9999 (8) and CG(71) at 68.3706 12.54 62.2406 in (null):E-9999 (10) other bump:2.80931 Ang C(39) at 68.909 9.157 71.214 in (null):V-9999 (5) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) other bump:2.46962 Ang OD1(29) at 71.7077 7.58049 68.2593 in (null):D-9999 (4) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) neighbor-bump: 2.46725 Ang N(40) at 70.074 9.406 71.844 in (null):S-9999 (6) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) neighbor-bump: 2.40872 Ang O(44) at 72.722 11.237 70.5 in (null):S-9999 (6) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) neighbor-bump: 1.79705 Ang C(45) at 71.496 11.096 70.54 in (null):S-9999 (6) and CD(50) at 71.2175 9.55261 69.6626 in (null):P-9999 (7) other bump:2.29324 Ang CG(28) at 71.5639 7.0668 67.1312 in (null):D-9999 (4) and CG(49) at 71.3989 9.05878 68.2554 in (null):P-9999 (7) other bump:1.51023 Ang OD1(29) at 71.7077 7.58049 68.2593 in (null):D-9999 (4) and CG(49) at 71.3989 9.05878 68.2554 in (null):P-9999 (7) other bump:2.76981 Ang OD1(29) at 71.7077 7.58049 68.2593 in (null):D-9999 (4) and CB(48) at 71.9875 10.2474 67.5655 in (null):P-9999 (7) self-bump: 1.33236 Ang CA(47) at 71.232 11.235 68.044 in (null):P-9999 (7) and CB(48) at 71.9875 10.2474 67.5655 in (null):P-9999 (7) neighbor-bump: 2.1425 Ang OD1(22) at 69.0987 3.11856 66.2667 in (null):N-9999 (3) and N(25) at 68.868 4.475 67.909 in (null):D-9999 (4) Number of specific fragments= 2 total=586 Number of alignments=179 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEAS 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVES Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 61 :DVSPNTELRDIVPIDGKKGYDVRDVIAKIVDW 1dguA 40 :SLRAQVPFEQILSLPELKANPFKERICRVFST Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues self-bump: 2.16069 Ang CB(237) at 71.6148 19.4834 69.8462 in (null):D-9999 (31) and C(242) at 72.895 21.157 69.368 in (null):D-9999 (31) self-bump: 1.26127 Ang CA(236) at 71.481 20.737 69.882 in (null):D-9999 (31) and CB(237) at 71.6148 19.4834 69.8462 in (null):D-9999 (31) other bump:3.08984 Ang CG(148) at 58.8634 28.2165 58.129 in (null):Y-9999 (20) and CZ(178) at 59.4841 27.0698 60.9302 in (null):R-9999 (23) other bump:1.92683 Ang O(121) at 57.036 25.429 58.174 in (null):G-9999 (16) and CE1(151) at 56.787 27.1905 57.434 in (null):Y-9999 (20) other bump:2.81308 Ang C(122) at 56.639 24.389 57.641 in (null):G-9999 (16) and CE1(151) at 56.787 27.1905 57.434 in (null):Y-9999 (20) other bump:2.18332 Ang O(121) at 57.036 25.429 58.174 in (null):G-9999 (16) and CD1(149) at 58.1757 27.1767 57.5309 in (null):Y-9999 (20) other bump:2.42147 Ang O(71) at 63.042 15.01 57.654 in (null):R-9999 (9) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:3.18753 Ang C(72) at 64.045 14.873 58.352 in (null):R-9999 (9) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:3.08226 Ang CA(74) at 62.701 14.314 60.37 in (null):D-9999 (10) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:2.42951 Ang O(79) at 60.704 15.634 60.835 in (null):D-9999 (10) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:2.45636 Ang C(80) at 61.934 15.622 60.798 in (null):D-9999 (10) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:2.95769 Ang N(81) at 62.652 16.717 61.1 in (null):I-9999 (11) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:3.30845 Ang CA(82) at 62.08 18.102 61.19 in (null):I-9999 (11) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:2.66681 Ang C(88) at 61.544 18.633 59.809 in (null):I-9999 (11) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) neighbor-bump: 2.56935 Ang N(89) at 62.354 18.595 58.737 in (null):V-9999 (12) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) self-bump: 1.38002 Ang N(96) at 60.433 16.705 57.482 in (null):P-9999 (13) and CD(100) at 61.2042 16.3046 58.5541 in (null):P-9999 (13) other bump:2.44413 Ang O(71) at 63.042 15.01 57.654 in (null):R-9999 (9) and CG(99) at 60.8377 14.839 58.6959 in (null):P-9999 (13) other bump:3.22588 Ang C(72) at 64.045 14.873 58.352 in (null):R-9999 (9) and CG(99) at 60.8377 14.839 58.6959 in (null):P-9999 (13) other bump:2.55936 Ang CA(74) at 62.701 14.314 60.37 in (null):D-9999 (10) and CG(99) at 60.8377 14.839 58.6959 in (null):P-9999 (13) other bump:2.28598 Ang O(79) at 60.704 15.634 60.835 in (null):D-9999 (10) and CG(99) at 60.8377 14.839 58.6959 in (null):P-9999 (13) other bump:2.49678 Ang C(80) at 61.934 15.622 60.798 in (null):D-9999 (10) and CG(99) at 60.8377 14.839 58.6959 in (null):P-9999 (13) other bump:2.76908 Ang ND2(34) at 68.3462 10.1732 63.6777 in (null):N-9999 (5) and CG(48) at 68.3706 12.54 62.2406 in (null):E-9999 (7) other bump:2.80931 Ang C(16) at 68.909 9.157 71.214 in (null):V-9999 (2) and CD(27) at 71.2175 9.55261 69.6626 in (null):P-9999 (4) neighbor-bump: 2.46725 Ang N(17) at 70.074 9.406 71.844 in (null):S-9999 (3) and CD(27) at 71.2175 9.55261 69.6626 in (null):P-9999 (4) neighbor-bump: 2.40873 Ang O(21) at 72.722 11.237 70.5 in (null):S-9999 (3) and CD(27) at 71.2175 9.55261 69.6626 in (null):P-9999 (4) neighbor-bump: 1.79705 Ang C(22) at 71.496 11.096 70.54 in (null):S-9999 (3) and CD(27) at 71.2175 9.55261 69.6626 in (null):P-9999 (4) self-bump: 1.33235 Ang CA(24) at 71.232 11.235 68.044 in (null):P-9999 (4) and CB(25) at 71.9875 10.2473 67.5655 in (null):P-9999 (4) Number of specific fragments= 2 total=588 Number of alignments=180 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGEDVTADEL 1dguA 1 :SKELLAEYQDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues self-bump: 1.39419 Ang CA(36) at 68.77 8.621 82.141 in (null):V-9999 (5) and CB(37) at 69.6494 7.54053 82.0858 in (null):V-9999 (5) T0136 27 :VAEDDDAAELIAKKLLSFLPQNN 1dguA 12 :TFLTKQEILLAHRRFCELLPQEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.19259 Ang CD(18) at 57.5393 22.6278 78.0693 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) other bump:1.63648 Ang OE1(19) at 56.8897 21.5512 78.0615 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) other bump:2.23196 Ang OE2(20) at 58.2002 23.0324 77.0767 in (null):E-9999 (3) and CD1(79) at 57.1435 21.1548 76.4942 in (null):I-9999 (11) T0136 56 :VNPNNDVSPNTELRDIVPIDGKKGYDVRDVIAK 1dguA 35 :RSVESSLRAQVPFEQILSLPELKANPFKERICR Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:3.08984 Ang CG(186) at 58.8634 28.2165 58.129 in (null):Y-9999 (25) and CZ(216) at 59.4841 27.0698 60.9302 in (null):R-9999 (28) other bump:1.92683 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.81308 Ang C(160) at 56.639 24.389 57.641 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.18332 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CD1(187) at 58.1757 27.1767 57.5309 in (null):Y-9999 (25) other bump:3.08226 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42951 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.45636 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.95769 Ang N(119) at 62.652 16.717 61.1 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.30845 Ang CA(120) at 62.08 18.102 61.19 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.66681 Ang C(126) at 61.544 18.633 59.809 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) neighbor-bump: 2.56935 Ang N(127) at 62.354 18.595 58.737 in (null):V-9999 (17) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) self-bump: 1.38002 Ang N(134) at 60.433 16.705 57.482 in (null):P-9999 (18) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42147 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.18753 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.55936 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.28598 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.49678 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.44413 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:3.22588 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.76908 Ang ND2(72) at 68.3462 10.1732 63.6777 in (null):N-9999 (10) and CG(86) at 68.3706 12.54 62.2406 in (null):E-9999 (12) other bump:2.80931 Ang C(54) at 68.909 9.157 71.214 in (null):V-9999 (7) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.46725 Ang N(55) at 70.074 9.406 71.844 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.46962 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.40872 Ang O(59) at 72.722 11.237 70.5 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 1.79705 Ang C(60) at 71.496 11.096 70.54 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.29324 Ang CG(43) at 71.5639 7.0668 67.1312 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:1.51023 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:2.76981 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) self-bump: 1.33236 Ang CA(62) at 71.232 11.235 68.044 in (null):P-9999 (9) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) neighbor-bump: 2.1425 Ang OD1(37) at 69.0987 3.11856 66.2667 in (null):N-9999 (5) and N(40) at 68.868 4.475 67.909 in (null):D-9999 (6) self-bump: 1.3586 Ang CA(10) at 59.784 0.636 63.963 in (null):N-9999 (2) and CB(11) at 59.1973 -0.571017 63.7515 in (null):N-9999 (2) T0136 89 :IVDWGDYLEVKAGYA 1dguA 89 :VFSDTATPDIKSHYA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.31075 Ang CD1(7) at 65.0453 29.7986 72.5118 in (null):I-9999 (1) and CD2(110) at 66.914 29.716 71.155 in (null):Y-9999 (14) other bump:2.75676 Ang CD1(7) at 65.0453 29.7986 72.5118 in (null):I-9999 (1) and CG(108) at 66.686 31.004 70.653 in (null):Y-9999 (14) other bump:2.22731 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:1.08102 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:2.20024 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:1.02528 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and OD2(48) at 60.7888 29.5445 77.9995 in (null):D-9999 (6) other bump:2.57822 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.33335 Ang OD2(22) at 58.7508 28.5271 79.9839 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.21278 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and OD1(47) at 60.7325 29.7413 80.1915 in (null):D-9999 (6) other bump:2.47558 Ang CG(20) at 58.9376 28.5674 78.7605 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:2.79232 Ang OD2(22) at 58.7508 28.5271 79.9839 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.99687 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:3.22419 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.69405 Ang OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) and CG(46) at 60.7416 30.2402 79.0358 in (null):D-9999 (6) other bump:1.55515 Ang O(0) at 61.543 28.772 77.945 in (null):G-9999 (0) and OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) other bump:2.46412 Ang C(1) at 62.021 27.887 77.241 in (null):G-9999 (0) and OD1(21) at 60.0276 28.9112 78.2652 in (null):D-9999 (3) Number of specific fragments= 4 total=592 Number of alignments=181 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 1 :VTGED 1dguA 1 :SKELL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 21 :SGNIHFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDV 1dguA 6 :AEYQDLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPF Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.75294 Ang C(278) at 68.909 9.157 71.214 in (null):V-9999 (36) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.25848 Ang N(279) at 70.074 9.406 71.844 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.18547 Ang CA(280) at 70.702 10.772 71.863 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.08636 Ang O(285) at 72.722 11.237 70.5 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 1.40631 Ang C(286) at 71.496 11.096 70.54 in (null):N-9999 (37) and CD(291) at 71.277 9.82514 69.9791 in (null):P-9999 (38) neighbor-bump: 2.34653 Ang O(285) at 72.722 11.237 70.5 in (null):N-9999 (37) and CG(290) at 72.3739 9.4738 68.9913 in (null):P-9999 (38) neighbor-bump: 2.40844 Ang C(286) at 71.496 11.096 70.54 in (null):N-9999 (37) and CG(290) at 72.3739 9.4738 68.9913 in (null):P-9999 (38) other bump:2.19618 Ang ND2(221) at 64.4289 4.165 66.4015 in (null):N-9999 (29) and CA(251) at 63.96 3.009 68.209 in (null):A-9999 (33) other bump:3.25816 Ang CG(220) at 64.6377 3.85914 65.1268 in (null):N-9999 (29) and C(249) at 63.572 1.155 66.599 in (null):E-9999 (32) other bump:2.66445 Ang OD1(222) at 64.657 2.70048 64.7192 in (null):N-9999 (29) and C(249) at 63.572 1.155 66.599 in (null):E-9999 (32) other bump:2.30662 Ang CG(220) at 64.6377 3.85914 65.1268 in (null):N-9999 (29) and O(248) at 64.355 1.669 65.793 in (null):E-9999 (32) other bump:1.51926 Ang OD1(222) at 64.657 2.70048 64.7192 in (null):N-9999 (29) and O(248) at 64.355 1.669 65.793 in (null):E-9999 (32) other bump:1.63648 Ang OE1(66) at 56.8897 21.5512 78.0615 in (null):E-9999 (9) and CD1(126) at 57.1435 21.1548 76.4942 in (null):I-9999 (17) other bump:2.19259 Ang CD(65) at 57.5393 22.6278 78.0693 in (null):E-9999 (9) and CD1(126) at 57.1435 21.1548 76.4942 in (null):I-9999 (17) other bump:2.23196 Ang OE2(67) at 58.2002 23.0324 77.0767 in (null):E-9999 (9) and CD1(126) at 57.1435 21.1548 76.4942 in (null):I-9999 (17) other bump:3.02987 Ang C(37) at 65.834 21.39 83.283 in (null):H-9999 (5) and CG2(53) at 63.8275 22.4934 81.299 in (null):V-9999 (7) other bump:3.10192 Ang CB(14) at 66.2872 14.5882 81.8076 in (null):N-9999 (3) and CD2(32) at 65.4991 17.4111 80.7915 in (null):H-9999 (5) T0136 69 :RDIVPIDGKKGYDVRDVIAK 1dguA 48 :EQILSLPELKANPFKERICR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.08984 Ang CG(88) at 58.8634 28.2165 58.129 in (null):Y-9999 (12) and CZ(118) at 59.4841 27.0698 60.9302 in (null):R-9999 (15) other bump:2.81308 Ang C(62) at 56.639 24.389 57.641 in (null):G-9999 (8) and CE1(91) at 56.787 27.1905 57.434 in (null):Y-9999 (12) other bump:1.92683 Ang O(61) at 57.036 25.429 58.174 in (null):G-9999 (8) and CE1(91) at 56.787 27.1905 57.434 in (null):Y-9999 (12) other bump:2.18332 Ang O(61) at 57.036 25.429 58.174 in (null):G-9999 (8) and CD1(89) at 58.1757 27.1767 57.5309 in (null):Y-9999 (12) other bump:3.08226 Ang CA(14) at 62.701 14.314 60.37 in (null):D-9999 (2) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) self-bump: 1.38002 Ang N(36) at 60.433 16.705 57.482 in (null):P-9999 (5) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.42951 Ang O(19) at 60.704 15.634 60.835 in (null):D-9999 (2) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.45636 Ang C(20) at 61.934 15.622 60.798 in (null):D-9999 (2) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.95769 Ang N(21) at 62.652 16.717 61.1 in (null):I-9999 (3) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.66681 Ang C(28) at 61.544 18.633 59.809 in (null):I-9999 (3) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) neighbor-bump: 2.56935 Ang N(29) at 62.354 18.595 58.737 in (null):V-9999 (4) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:3.30845 Ang CA(22) at 62.08 18.102 61.19 in (null):I-9999 (3) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.42147 Ang O(11) at 63.042 15.01 57.654 in (null):R-9999 (1) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:3.18753 Ang C(12) at 64.045 14.873 58.352 in (null):R-9999 (1) and CD(40) at 61.2042 16.3046 58.5541 in (null):P-9999 (5) other bump:2.55936 Ang CA(14) at 62.701 14.314 60.37 in (null):D-9999 (2) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:2.28598 Ang O(19) at 60.704 15.634 60.835 in (null):D-9999 (2) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:2.49678 Ang C(20) at 61.934 15.622 60.798 in (null):D-9999 (2) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:2.44413 Ang O(11) at 63.042 15.01 57.654 in (null):R-9999 (1) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) other bump:3.22588 Ang C(12) at 64.045 14.873 58.352 in (null):R-9999 (1) and CG(39) at 60.8377 14.839 58.6959 in (null):P-9999 (5) Number of specific fragments= 3 total=595 Number of alignments=182 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNN 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 56 :VNPNNDVSPNTELRDIVPIDGKKGYDVRDVIAKIV 1dguA 35 :RSVESSLRAQVPFEQILSLPELKANPFKERICRVF Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:3.08984 Ang CG(186) at 58.8634 28.2165 58.129 in (null):Y-9999 (25) and CZ(216) at 59.4841 27.0698 60.9302 in (null):R-9999 (28) other bump:1.92683 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.81308 Ang C(160) at 56.639 24.389 57.641 in (null):G-9999 (21) and CE1(189) at 56.787 27.1905 57.434 in (null):Y-9999 (25) other bump:2.18332 Ang O(159) at 57.036 25.429 58.174 in (null):G-9999 (21) and CD1(187) at 58.1757 27.1767 57.5309 in (null):Y-9999 (25) other bump:2.42147 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.18753 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.08226 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.42951 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.45636 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.95769 Ang N(119) at 62.652 16.717 61.1 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:3.30845 Ang CA(120) at 62.08 18.102 61.19 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.66681 Ang C(126) at 61.544 18.633 59.809 in (null):I-9999 (16) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) neighbor-bump: 2.56935 Ang N(127) at 62.354 18.595 58.737 in (null):V-9999 (17) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) self-bump: 1.38002 Ang N(134) at 60.433 16.705 57.482 in (null):P-9999 (18) and CD(138) at 61.2042 16.3046 58.5541 in (null):P-9999 (18) other bump:2.44413 Ang O(109) at 63.042 15.01 57.654 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:3.22588 Ang C(110) at 64.045 14.873 58.352 in (null):R-9999 (14) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.55936 Ang CA(112) at 62.701 14.314 60.37 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.28598 Ang O(117) at 60.704 15.634 60.835 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.49678 Ang C(118) at 61.934 15.622 60.798 in (null):D-9999 (15) and CG(137) at 60.8377 14.839 58.6959 in (null):P-9999 (18) other bump:2.76908 Ang ND2(72) at 68.3462 10.1732 63.6777 in (null):N-9999 (10) and CG(86) at 68.3706 12.54 62.2406 in (null):E-9999 (12) other bump:2.80931 Ang C(54) at 68.909 9.157 71.214 in (null):V-9999 (7) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.46962 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.46725 Ang N(55) at 70.074 9.406 71.844 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 2.40872 Ang O(59) at 72.722 11.237 70.5 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) neighbor-bump: 1.79705 Ang C(60) at 71.496 11.096 70.54 in (null):S-9999 (8) and CD(65) at 71.2175 9.55261 69.6626 in (null):P-9999 (9) other bump:2.29324 Ang CG(43) at 71.5639 7.0668 67.1312 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:1.51023 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CG(64) at 71.3989 9.05878 68.2554 in (null):P-9999 (9) other bump:2.76981 Ang OD1(44) at 71.7077 7.58049 68.2593 in (null):D-9999 (6) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) self-bump: 1.33236 Ang CA(62) at 71.232 11.235 68.044 in (null):P-9999 (9) and CB(63) at 71.9875 10.2474 67.5655 in (null):P-9999 (9) neighbor-bump: 2.1425 Ang OD1(37) at 69.0987 3.11856 66.2667 in (null):N-9999 (5) and N(40) at 68.868 4.475 67.909 in (null):D-9999 (6) self-bump: 1.3586 Ang CA(10) at 59.784 0.636 63.963 in (null):N-9999 (2) and CB(11) at 59.1973 -0.571017 63.7515 in (null):N-9999 (2) Number of specific fragments= 2 total=597 Number of alignments=183 # Reading fragments from alignment file # T0136 read from T0136-1dguA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPN 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQ Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.75294 Ang C(252) at 68.909 9.157 71.214 in (null):V-9999 (32) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.25848 Ang N(253) at 70.074 9.406 71.844 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.18547 Ang CA(254) at 70.702 10.772 71.863 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.08636 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 1.40631 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.34653 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) neighbor-bump: 2.40844 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 66 :TELRDIVPIDGKKGYDVRDVIAKIVDW 1dguA 45 :VPFEQILSLPELKANPFKERICRVFST Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues self-bump: 2.16069 Ang CB(201) at 71.6148 19.4834 69.8462 in (null):D-9999 (26) and C(206) at 72.895 21.157 69.368 in (null):D-9999 (26) self-bump: 1.26127 Ang CA(200) at 71.481 20.737 69.882 in (null):D-9999 (26) and CB(201) at 71.6148 19.4834 69.8462 in (null):D-9999 (26) other bump:3.08984 Ang CG(112) at 58.8634 28.2165 58.129 in (null):Y-9999 (15) and CZ(142) at 59.4841 27.0698 60.9302 in (null):R-9999 (18) other bump:2.81308 Ang C(86) at 56.639 24.389 57.641 in (null):G-9999 (11) and CE1(115) at 56.787 27.1905 57.434 in (null):Y-9999 (15) other bump:1.92683 Ang O(85) at 57.036 25.429 58.174 in (null):G-9999 (11) and CE1(115) at 56.787 27.1905 57.434 in (null):Y-9999 (15) other bump:2.18332 Ang O(85) at 57.036 25.429 58.174 in (null):G-9999 (11) and CD1(113) at 58.1757 27.1767 57.5309 in (null):Y-9999 (15) other bump:2.42147 Ang O(35) at 63.042 15.01 57.654 in (null):R-9999 (4) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.18753 Ang C(36) at 64.045 14.873 58.352 in (null):R-9999 (4) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.08226 Ang CA(38) at 62.701 14.314 60.37 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) self-bump: 1.38002 Ang N(60) at 60.433 16.705 57.482 in (null):P-9999 (8) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.42951 Ang O(43) at 60.704 15.634 60.835 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.45636 Ang C(44) at 61.934 15.622 60.798 in (null):D-9999 (5) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.95769 Ang N(45) at 62.652 16.717 61.1 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.66681 Ang C(52) at 61.544 18.633 59.809 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) neighbor-bump: 2.56935 Ang N(53) at 62.354 18.595 58.737 in (null):V-9999 (7) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:3.30845 Ang CA(46) at 62.08 18.102 61.19 in (null):I-9999 (6) and CD(64) at 61.2042 16.3046 58.5541 in (null):P-9999 (8) other bump:2.44413 Ang O(35) at 63.042 15.01 57.654 in (null):R-9999 (4) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:3.22588 Ang C(36) at 64.045 14.873 58.352 in (null):R-9999 (4) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.55936 Ang CA(38) at 62.701 14.314 60.37 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.28598 Ang O(43) at 60.704 15.634 60.835 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) other bump:2.49678 Ang C(44) at 61.934 15.622 60.798 in (null):D-9999 (5) and CG(63) at 60.8377 14.839 58.6959 in (null):P-9999 (8) Number of specific fragments= 2 total=599 Number of alignments=184 # Reading fragments from alignment file # T0136 read from T0136-1dguA-local-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-local-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPNTELRDI 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPFEQILSLPEL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.78919 Ang CB(307) at 63.182 13.478 61.581 in (null):P-9999 (40) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.71197 Ang O(303) at 63.042 15.01 57.654 in (null):S-9999 (39) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.71662 Ang C(304) at 64.045 14.873 58.352 in (null):S-9999 (39) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.57987 Ang N(305) at 63.973 14.495 59.63 in (null):P-9999 (40) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.62138 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.74724 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:1.44874 Ang O(310) at 60.704 15.634 60.835 in (null):P-9999 (40) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:1.25887 Ang C(311) at 61.934 15.622 60.798 in (null):P-9999 (40) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:2.30602 Ang N(312) at 62.652 16.717 61.1 in (null):N-9999 (41) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:1.99362 Ang O(303) at 63.042 15.01 57.654 in (null):S-9999 (39) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.49596 Ang C(304) at 64.045 14.873 58.352 in (null):S-9999 (39) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.39754 Ang N(305) at 63.973 14.495 59.63 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:1.75232 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.49134 Ang O(310) at 60.704 15.634 60.835 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.26883 Ang C(311) at 61.934 15.622 60.798 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:3.14376 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and CG(330) at 60.5057 13.745 58.1928 in (null):E-9999 (43) other bump:2.75294 Ang C(252) at 68.909 9.157 71.214 in (null):V-9999 (32) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.25848 Ang N(253) at 70.074 9.406 71.844 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.08636 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 1.40631 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.18547 Ang CA(254) at 70.702 10.772 71.863 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.34653 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) neighbor-bump: 2.40844 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) Number of specific fragments= 1 total=600 Number of alignments=185 # Reading fragments from alignment file # T0136 read from T0136-1dguA-local-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-local-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVN 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVESSLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 64 :PNTELRDIVPIDGKKGYDVRDVIAKI 1dguA 43 :AQVPFEQILSLPELKANPFKERICRV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.08984 Ang CG(127) at 58.8634 28.2165 58.129 in (null):Y-9999 (17) and CZ(157) at 59.4841 27.0698 60.9302 in (null):R-9999 (20) other bump:2.81308 Ang C(101) at 56.639 24.389 57.641 in (null):G-9999 (13) and CE1(130) at 56.787 27.1905 57.434 in (null):Y-9999 (17) other bump:1.92683 Ang O(100) at 57.036 25.429 58.174 in (null):G-9999 (13) and CE1(130) at 56.787 27.1905 57.434 in (null):Y-9999 (17) other bump:2.18332 Ang O(100) at 57.036 25.429 58.174 in (null):G-9999 (13) and CD1(128) at 58.1757 27.1767 57.5309 in (null):Y-9999 (17) other bump:2.42147 Ang O(50) at 63.042 15.01 57.654 in (null):R-9999 (6) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:3.18753 Ang C(51) at 64.045 14.873 58.352 in (null):R-9999 (6) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:3.08226 Ang CA(53) at 62.701 14.314 60.37 in (null):D-9999 (7) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.42951 Ang O(58) at 60.704 15.634 60.835 in (null):D-9999 (7) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.45636 Ang C(59) at 61.934 15.622 60.798 in (null):D-9999 (7) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.95769 Ang N(60) at 62.652 16.717 61.1 in (null):I-9999 (8) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:3.30845 Ang CA(61) at 62.08 18.102 61.19 in (null):I-9999 (8) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.66681 Ang C(67) at 61.544 18.633 59.809 in (null):I-9999 (8) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) neighbor-bump: 2.56935 Ang N(68) at 62.354 18.595 58.737 in (null):V-9999 (9) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) self-bump: 1.38002 Ang N(75) at 60.433 16.705 57.482 in (null):P-9999 (10) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.44413 Ang O(50) at 63.042 15.01 57.654 in (null):R-9999 (6) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:3.22588 Ang C(51) at 64.045 14.873 58.352 in (null):R-9999 (6) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.55936 Ang CA(53) at 62.701 14.314 60.37 in (null):D-9999 (7) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.28598 Ang O(58) at 60.704 15.634 60.835 in (null):D-9999 (7) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.49678 Ang C(59) at 61.934 15.622 60.798 in (null):D-9999 (7) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.76908 Ang ND2(13) at 68.3462 10.1732 63.6777 in (null):N-9999 (2) and CG(27) at 68.3706 12.54 62.2406 in (null):E-9999 (4) neighbor-bump: 2.40871 Ang O(0) at 72.722 11.237 70.5 in (null):G-9999 (0) and CD(6) at 71.2175 9.55262 69.6627 in (null):P-9999 (1) neighbor-bump: 1.79703 Ang C(1) at 71.496 11.096 70.54 in (null):G-9999 (0) and CD(6) at 71.2175 9.55262 69.6627 in (null):P-9999 (1) self-bump: 1.33235 Ang CA(3) at 71.232 11.235 68.044 in (null):P-9999 (1) and CB(4) at 71.9875 10.2474 67.5655 in (null):P-9999 (1) Number of specific fragments= 2 total=602 Number of alignments=186 # Reading fragments from alignment file # T0136 read from T0136-1dguA-simpleSW-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 58 :PNNDVSPNTELRDIVPID 1dguA 31 :PQEQRSVESSLRAQVPFE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.46589 Ang OD2(30) at 64.8757 7.33171 65.5537 in (null):D-9999 (4) and CD1(109) at 66.9702 7.95798 64.4128 in (null):I-9999 (14) other bump:2.72076 Ang CG(71) at 71.6077 7.14157 67.3173 in (null):E-9999 (10) and OD2(101) at 73.558 8.83084 68.1806 in (null):D-9999 (13) other bump:2.3328 Ang CD(72) at 72.6313 6.69653 68.3475 in (null):E-9999 (10) and OD2(101) at 73.558 8.83084 68.1806 in (null):D-9999 (13) other bump:2.21933 Ang OE1(73) at 72.6285 7.26576 69.4502 in (null):E-9999 (10) and OD2(101) at 73.558 8.83084 68.1806 in (null):D-9999 (13) self-bump: 1.33495 Ang CA(97) at 71.232 11.235 68.044 in (null):D-9999 (13) and CB(98) at 71.9918 10.4019 67.3293 in (null):D-9999 (13) other bump:2.42688 Ang O(15) at 62.37 5.87 59.11 in (null):N-9999 (2) and CG2(37) at 60.9352 3.91286 59.0838 in (null):V-9999 (5) Number of specific fragments= 1 total=603 # Reading fragments from alignment file # T0136 read from T0136-1dguA-simpleSW-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 39 :KKLLSFLPQNNTE 1dguA 24 :RRFCELLPQEQRS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0136 64 :PNTELRD 1dguA 37 :VESSLRA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.72073 Ang CG(27) at 71.6077 7.14157 67.3173 in (null):E-9999 (4) and OD2(57) at 73.558 8.83082 68.1806 in (null):D-9999 (7) other bump:2.33277 Ang CD(28) at 72.6313 6.69653 68.3475 in (null):E-9999 (4) and OD2(57) at 73.558 8.83082 68.1806 in (null):D-9999 (7) other bump:2.21931 Ang OE1(29) at 72.6285 7.26576 69.4502 in (null):E-9999 (4) and OD2(57) at 73.558 8.83082 68.1806 in (null):D-9999 (7) self-bump: 1.33496 Ang CA(53) at 71.232 11.235 68.044 in (null):D-9999 (7) and CB(54) at 71.9918 10.4019 67.3293 in (null):D-9999 (7) Number of specific fragments= 2 total=605 Number of alignments=187 # Reading fragments from alignment file # T0136 read from T0136-1dguA-vit-adpstyle1.pw.a2m.gz # 1dguA read from T0136-1dguA-vit-adpstyle1.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPNTELRDI 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVESSLRAQVPFEQILSLPEL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.78919 Ang CB(307) at 63.182 13.478 61.581 in (null):P-9999 (40) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.71197 Ang O(303) at 63.042 15.01 57.654 in (null):S-9999 (39) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.71662 Ang C(304) at 64.045 14.873 58.352 in (null):S-9999 (39) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.57987 Ang N(305) at 63.973 14.495 59.63 in (null):P-9999 (40) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.62138 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and OE2(333) at 62.799 13.7963 58.8366 in (null):E-9999 (43) other bump:1.74724 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:1.44874 Ang O(310) at 60.704 15.634 60.835 in (null):P-9999 (40) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:1.25887 Ang C(311) at 61.934 15.622 60.798 in (null):P-9999 (40) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:2.30602 Ang N(312) at 62.652 16.717 61.1 in (null):N-9999 (41) and OE1(332) at 61.4902 15.3491 59.652 in (null):E-9999 (43) other bump:1.99362 Ang O(303) at 63.042 15.01 57.654 in (null):S-9999 (39) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.49596 Ang C(304) at 64.045 14.873 58.352 in (null):S-9999 (39) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.39754 Ang N(305) at 63.973 14.495 59.63 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:1.75232 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.49134 Ang O(310) at 60.704 15.634 60.835 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:2.26883 Ang C(311) at 61.934 15.622 60.798 in (null):P-9999 (40) and CD(331) at 61.6807 14.3368 58.9455 in (null):E-9999 (43) other bump:3.14376 Ang CA(306) at 62.701 14.314 60.37 in (null):P-9999 (40) and CG(330) at 60.5057 13.745 58.1928 in (null):E-9999 (43) other bump:2.75294 Ang C(252) at 68.909 9.157 71.214 in (null):V-9999 (32) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.25848 Ang N(253) at 70.074 9.406 71.844 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.08636 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 1.40631 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.18547 Ang CA(254) at 70.702 10.772 71.863 in (null):N-9999 (33) and CD(265) at 71.277 9.82514 69.9791 in (null):P-9999 (34) neighbor-bump: 2.34653 Ang O(259) at 72.722 11.237 70.5 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) neighbor-bump: 2.40844 Ang C(260) at 71.496 11.096 70.54 in (null):N-9999 (33) and CG(264) at 72.3739 9.4738 68.9913 in (null):P-9999 (34) other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) Number of specific fragments= 1 total=606 Number of alignments=188 # Reading fragments from alignment file # T0136 read from T0136-1dguA-vit-adpstyle5.pw.a2m.gz # 1dguA read from T0136-1dguA-vit-adpstyle5.pw.a2m.gz # found chain 1dguA in template set T0136 25 :HFVAEDDDAAELIAKKLLSFLPQNNTEEASFVN 1dguA 10 :DLTFLTKQEILLAHRRFCELLPQEQRSVESSLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.19618 Ang ND2(195) at 64.4289 4.165 66.4015 in (null):N-9999 (25) and CA(225) at 63.96 3.009 68.209 in (null):A-9999 (29) other bump:3.25816 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.66445 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and C(223) at 63.572 1.155 66.599 in (null):E-9999 (28) other bump:2.30662 Ang CG(194) at 64.6377 3.85914 65.1268 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.51926 Ang OD1(196) at 64.657 2.70048 64.7192 in (null):N-9999 (25) and O(222) at 64.355 1.669 65.793 in (null):E-9999 (28) other bump:1.63648 Ang OE1(40) at 56.8897 21.5512 78.0615 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.19259 Ang CD(39) at 57.5393 22.6278 78.0693 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:2.23196 Ang OE2(41) at 58.2002 23.0324 77.0767 in (null):E-9999 (5) and CD1(100) at 57.1435 21.1548 76.4942 in (null):I-9999 (13) other bump:3.02987 Ang C(11) at 65.834 21.39 83.283 in (null):H-9999 (1) and CG2(27) at 63.8275 22.4934 81.299 in (null):V-9999 (3) T0136 64 :PNTELRDIVPIDGKKGYDVRDVIAKI 1dguA 43 :AQVPFEQILSLPELKANPFKERICRV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.08984 Ang CG(127) at 58.8634 28.2165 58.129 in (null):Y-9999 (17) and CZ(157) at 59.4841 27.0698 60.9302 in (null):R-9999 (20) other bump:2.81308 Ang C(101) at 56.639 24.389 57.641 in (null):G-9999 (13) and CE1(130) at 56.787 27.1905 57.434 in (null):Y-9999 (17) other bump:1.92683 Ang O(100) at 57.036 25.429 58.174 in (null):G-9999 (13) and CE1(130) at 56.787 27.1905 57.434 in (null):Y-9999 (17) other bump:2.18332 Ang O(100) at 57.036 25.429 58.174 in (null):G-9999 (13) and CD1(128) at 58.1757 27.1767 57.5309 in (null):Y-9999 (17) other bump:2.42147 Ang O(50) at 63.042 15.01 57.654 in (null):R-9999 (6) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:3.18753 Ang C(51) at 64.045 14.873 58.352 in (null):R-9999 (6) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:3.08226 Ang CA(53) at 62.701 14.314 60.37 in (null):D-9999 (7) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.42951 Ang O(58) at 60.704 15.634 60.835 in (null):D-9999 (7) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.45636 Ang C(59) at 61.934 15.622 60.798 in (null):D-9999 (7) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.95769 Ang N(60) at 62.652 16.717 61.1 in (null):I-9999 (8) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:3.30845 Ang CA(61) at 62.08 18.102 61.19 in (null):I-9999 (8) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.66681 Ang C(67) at 61.544 18.633 59.809 in (null):I-9999 (8) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) neighbor-bump: 2.56935 Ang N(68) at 62.354 18.595 58.737 in (null):V-9999 (9) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) self-bump: 1.38002 Ang N(75) at 60.433 16.705 57.482 in (null):P-9999 (10) and CD(79) at 61.2042 16.3046 58.5541 in (null):P-9999 (10) other bump:2.44413 Ang O(50) at 63.042 15.01 57.654 in (null):R-9999 (6) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:3.22588 Ang C(51) at 64.045 14.873 58.352 in (null):R-9999 (6) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.55936 Ang CA(53) at 62.701 14.314 60.37 in (null):D-9999 (7) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.28598 Ang O(58) at 60.704 15.634 60.835 in (null):D-9999 (7) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.49678 Ang C(59) at 61.934 15.622 60.798 in (null):D-9999 (7) and CG(78) at 60.8377 14.839 58.6959 in (null):P-9999 (10) other bump:2.76908 Ang ND2(13) at 68.3462 10.1732 63.6777 in (null):N-9999 (2) and CG(27) at 68.3706 12.54 62.2406 in (null):E-9999 (4) neighbor-bump: 2.40871 Ang O(0) at 72.722 11.237 70.5 in (null):G-9999 (0) and CD(6) at 71.2175 9.55262 69.6627 in (null):P-9999 (1) neighbor-bump: 1.79703 Ang C(1) at 71.496 11.096 70.54 in (null):G-9999 (0) and CD(6) at 71.2175 9.55262 69.6627 in (null):P-9999 (1) self-bump: 1.33235 Ang CA(3) at 71.232 11.235 68.044 in (null):P-9999 (1) and CB(4) at 71.9875 10.2474 67.5655 in (null):P-9999 (1) Number of specific fragments= 2 total=608 Number of alignments=189 # command:# Prefix for input files set to 1iba/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1iba-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1iba read from 1iba-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 1 :VTGEDVTA 1iba 15 :MAPALVAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.38131 Ang CA(28) at 0.121 6.025 5 in (null):D-9999 (4) and CB(29) at 0.786219 5.08796 5.76646 in (null):D-9999 (4) T0136 11 :LGGAEAHMAISGNIH 1iba 23 :FGGKENITNLDACIT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 1.86517 Ang OD1(83) at -5.22344 -11.0585 -6.95356 in (null):N-9999 (13) and CD1(91) at -5.615 -12.456 -5.782 in (null):I-9999 (14) other bump:2.91757 Ang ND1(42) at 1.10608 3.21736 -10.4827 in (null):H-9999 (7) and CG1(63) at -1.18693 1.81637 -9.34622 in (null):I-9999 (10) other bump:2.6901 Ang CE1(43) at 2.07645 2.3402 -10.2256 in (null):H-9999 (7) and C(59) at 0.526 0.888 -11.876 in (null):A-9999 (9) other bump:2.77557 Ang ND1(42) at 1.10608 3.21736 -10.4827 in (null):H-9999 (7) and C(59) at 0.526 0.888 -11.876 in (null):A-9999 (9) other bump:1.57799 Ang CE1(43) at 2.07645 2.3402 -10.2256 in (null):H-9999 (7) and O(58) at 1.263 1.201 -10.954 in (null):A-9999 (9) other bump:2.07665 Ang ND1(42) at 1.10608 3.21736 -10.4827 in (null):H-9999 (7) and O(58) at 1.263 1.201 -10.954 in (null):A-9999 (9) self-bump: 1.39813 Ang CA(48) at 1.288 5.206 -13.947 in (null):M-9999 (8) and CB(49) at 2.25839 5.43702 -14.9267 in (null):M-9999 (8) T0136 26 :FVAEDDDAAELIAKKLLSFLPQNNTEEASFVNPNNDVSPNTELRDIVPID 1iba 42 :SVADVSKVDQAGLKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 108 clashes (null) has 108 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:1.66903 Ang O(272) at -2.595 -8.65 6.894 in (null):N-9999 (35) and CD(299) at -3.21524 -7.28214 7.62197 in (null):P-9999 (39) other bump:2.75002 Ang C(273) at -2.742 -9.855 6.774 in (null):N-9999 (35) and CD(299) at -3.21524 -7.28214 7.62197 in (null):P-9999 (39) other bump:2.20934 Ang O(272) at -2.595 -8.65 6.894 in (null):N-9999 (35) and CG(298) at -2.16713 -6.48262 6.87063 in (null):P-9999 (39) other bump:2.77364 Ang CB(253) at -2.0601 -12.74 1.42467 in (null):P-9999 (33) and OD2(279) at -4.44404 -11.4304 1.96768 in (null):D-9999 (36) other bump:1.17147 Ang O(249) at -3.098 -9.416 2.239 in (null):N-9999 (32) and OD1(278) at -2.88237 -10.2708 3.01047 in (null):D-9999 (36) other bump:2.38672 Ang C(257) at -1.341 -12.04 3.447 in (null):P-9999 (33) and OD1(278) at -2.88237 -10.2708 3.01047 in (null):D-9999 (36) other bump:2.78106 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and OD1(278) at -2.88237 -10.2708 3.01047 in (null):D-9999 (36) other bump:1.77215 Ang C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) and OD1(278) at -2.88237 -10.2708 3.01047 in (null):D-9999 (36) other bump:2.2178 Ang N(251) at -1.132 -10.413 1.656 in (null):P-9999 (33) and OD1(278) at -2.88237 -10.2708 3.01047 in (null):D-9999 (36) other bump:2.25719 Ang CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) and OD1(278) at -2.88237 -10.2708 3.01047 in (null):D-9999 (36) other bump:2.26697 Ang O(256) at -1.103 -11.078 4.16 in (null):P-9999 (33) and OD1(278) at -2.88237 -10.2708 3.01047 in (null):D-9999 (36) other bump:1.71892 Ang O(249) at -3.098 -9.416 2.239 in (null):N-9999 (32) and CG(277) at -4.06097 -10.6812 2.89227 in (null):D-9999 (36) other bump:3.0907 Ang C(257) at -1.341 -12.04 3.447 in (null):P-9999 (33) and CG(277) at -4.06097 -10.6812 2.89227 in (null):D-9999 (36) other bump:2.71312 Ang C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) and CG(277) at -4.06097 -10.6812 2.89227 in (null):D-9999 (36) other bump:2.88478 Ang CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) and CG(277) at -4.06097 -10.6812 2.89227 in (null):D-9999 (36) other bump:2.16096 Ang CB(140) at 0.639468 -8.29463 4.12833 in (null):F-9999 (19) and OD1(271) at -0.0508869 -9.18372 5.97296 in (null):N-9999 (35) other bump:1.96881 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and CD(255) at -1.08543 -11.2722 -0.172836 in (null):P-9999 (33) other bump:1.5336 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and CD(255) at -1.08543 -11.2722 -0.172836 in (null):P-9999 (33) other bump:2.78178 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and CD(255) at -1.08543 -11.2722 -0.172836 in (null):P-9999 (33) self-bump: 2.2566 Ang CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) and CD(255) at -1.08543 -11.2722 -0.172836 in (null):P-9999 (33) self-bump: 2.15135 Ang CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) and CG(254) at -2.16604 -12.3248 -0.0102248 in (null):P-9999 (33) self-bump: 1.22284 Ang CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) and CB(253) at -2.0601 -12.74 1.42467 in (null):P-9999 (33) other bump:2.47926 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) other bump:2.54255 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) other bump:2.99199 Ang CD1(142) at 0.754547 -9.8786 2.16321 in (null):F-9999 (19) and CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) other bump:3.09776 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and CA(252) at -1.553 -11.774 1.977 in (null):P-9999 (33) other bump:1.54055 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and N(251) at -1.132 -10.413 1.656 in (null):P-9999 (33) other bump:1.36712 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and N(251) at -1.132 -10.413 1.656 in (null):P-9999 (33) other bump:2.3241 Ang CG(141) at 0.117629 -8.82499 2.80409 in (null):F-9999 (19) and N(251) at -1.132 -10.413 1.656 in (null):P-9999 (33) other bump:2.02532 Ang CD1(142) at 0.754547 -9.8786 2.16321 in (null):F-9999 (19) and N(251) at -1.132 -10.413 1.656 in (null):P-9999 (33) other bump:2.19113 Ang CD2(143) at -1.03316 -8.30221 2.23552 in (null):F-9999 (19) and N(251) at -1.132 -10.413 1.656 in (null):P-9999 (33) other bump:1.75521 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and N(251) at -1.132 -10.413 1.656 in (null):P-9999 (33) other bump:2.58647 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) other bump:1.82562 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) other bump:2.36078 Ang CG(141) at 0.117629 -8.82499 2.80409 in (null):F-9999 (19) and C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) other bump:2.78832 Ang CD1(142) at 0.754547 -9.8786 2.16321 in (null):F-9999 (19) and C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) other bump:1.45945 Ang CD2(143) at -1.03316 -8.30221 2.23552 in (null):F-9999 (19) and C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) other bump:1.01462 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and C(250) at -1.96 -9.347 1.812 in (null):N-9999 (32) other bump:2.34608 Ang CD2(143) at -1.03316 -8.30221 2.23552 in (null):F-9999 (19) and O(249) at -3.098 -9.416 2.239 in (null):N-9999 (32) other bump:2.0439 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and O(249) at -3.098 -9.416 2.239 in (null):N-9999 (32) other bump:2.65731 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and ND2(247) at -3.14376 -8.17986 -0.972213 in (null):N-9999 (32) other bump:2.81952 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and CG(246) at -3.31778 -7.11085 -0.32416 in (null):N-9999 (32) other bump:2.39154 Ang CD2(143) at -1.03316 -8.30221 2.23552 in (null):F-9999 (19) and CB(245) at -2.56725 -6.96749 0.97671 in (null):N-9999 (32) other bump:2.11489 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and CB(245) at -2.56725 -6.96749 0.97671 in (null):N-9999 (32) other bump:2.96782 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and CA(244) at -1.422 -7.99 1.436 in (null):N-9999 (32) other bump:2.20022 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and CA(244) at -1.422 -7.99 1.436 in (null):N-9999 (32) other bump:2.22246 Ang CG(141) at 0.117629 -8.82499 2.80409 in (null):F-9999 (19) and CA(244) at -1.422 -7.99 1.436 in (null):N-9999 (32) other bump:2.97204 Ang CD1(142) at 0.754547 -9.8786 2.16321 in (null):F-9999 (19) and CA(244) at -1.422 -7.99 1.436 in (null):N-9999 (32) other bump:0.942284 Ang CD2(143) at -1.03316 -8.30221 2.23552 in (null):F-9999 (19) and CA(244) at -1.422 -7.99 1.436 in (null):N-9999 (32) other bump:0.920291 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and CA(244) at -1.422 -7.99 1.436 in (null):N-9999 (32) other bump:2.56644 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and N(243) at -0.699 -8.153 0.176 in (null):N-9999 (32) other bump:1.74741 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and N(243) at -0.699 -8.153 0.176 in (null):N-9999 (32) other bump:2.83289 Ang CG(141) at 0.117629 -8.82499 2.80409 in (null):F-9999 (19) and N(243) at -0.699 -8.153 0.176 in (null):N-9999 (32) other bump:2.09178 Ang CD2(143) at -1.03316 -8.30221 2.23552 in (null):F-9999 (19) and N(243) at -0.699 -8.153 0.176 in (null):N-9999 (32) other bump:1.38766 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and N(243) at -0.699 -8.153 0.176 in (null):N-9999 (32) other bump:2.54761 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and C(242) at 0.658 -8.038 0.109 in (null):V-9999 (31) other bump:2.42508 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and C(242) at 0.658 -8.038 0.109 in (null):V-9999 (31) other bump:2.85917 Ang CG(141) at 0.117629 -8.82499 2.80409 in (null):F-9999 (19) and C(242) at 0.658 -8.038 0.109 in (null):V-9999 (31) other bump:2.75988 Ang CD1(142) at 0.754547 -9.8786 2.16321 in (null):F-9999 (19) and C(242) at 0.658 -8.038 0.109 in (null):V-9999 (31) other bump:2.72982 Ang CD2(143) at -1.03316 -8.30221 2.23552 in (null):F-9999 (19) and C(242) at 0.658 -8.038 0.109 in (null):V-9999 (31) other bump:2.52021 Ang CE2(145) at -1.54515 -8.81744 1.05245 in (null):F-9999 (19) and C(242) at 0.658 -8.038 0.109 in (null):V-9999 (31) other bump:2.33409 Ang CG(141) at 0.117629 -8.82499 2.80409 in (null):F-9999 (19) and O(241) at 1.363 -7.851 1.087 in (null):V-9999 (31) other bump:2.37479 Ang CD1(142) at 0.754547 -9.8786 2.16321 in (null):F-9999 (19) and O(241) at 1.363 -7.851 1.087 in (null):V-9999 (31) other bump:2.31557 Ang CE1(144) at 0.25136 -10.398 0.978231 in (null):F-9999 (19) and CG2(240) at 1.88 -10.558 -0.66 in (null):V-9999 (31) other bump:3.05959 Ang CZ(146) at -0.898019 -9.87141 0.422735 in (null):F-9999 (19) and CG2(240) at 1.88 -10.558 -0.66 in (null):V-9999 (31) other bump:1.97067 Ang CA(133) at 0.15 -4.038 2.547 in (null):S-9999 (18) and CZ(233) at -0.244842 -3.30834 0.759481 in (null):F-9999 (30) other bump:1.88226 Ang CB(134) at 1.34909 -4.08935 1.38582 in (null):S-9999 (18) and CZ(233) at -0.244842 -3.30834 0.759481 in (null):F-9999 (30) other bump:3.05194 Ang C(131) at -0.785 -1.943 3.435 in (null):L-9999 (17) and CZ(233) at -0.244842 -3.30834 0.759481 in (null):F-9999 (30) other bump:2.41185 Ang N(132) at 0.287 -2.664 3.022 in (null):S-9999 (18) and CZ(233) at -0.244842 -3.30834 0.759481 in (null):F-9999 (30) other bump:3.02092 Ang CA(133) at 0.15 -4.038 2.547 in (null):S-9999 (18) and CE2(232) at -0.845464 -3.96254 -0.304193 in (null):F-9999 (30) other bump:2.77278 Ang CB(134) at 1.34909 -4.08935 1.38582 in (null):S-9999 (18) and CE2(232) at -0.845464 -3.96254 -0.304193 in (null):F-9999 (30) other bump:2.43508 Ang CA(133) at 0.15 -4.038 2.547 in (null):S-9999 (18) and CE1(231) at 1.0496 -2.8388 0.628077 in (null):F-9999 (30) other bump:1.49256 Ang CB(134) at 1.34909 -4.08935 1.38582 in (null):S-9999 (18) and CE1(231) at 1.0496 -2.8388 0.628077 in (null):F-9999 (30) other bump:2.51853 Ang N(132) at 0.287 -2.664 3.022 in (null):S-9999 (18) and CE1(231) at 1.0496 -2.8388 0.628077 in (null):F-9999 (30) other bump:2.25965 Ang OG(135) at 2.64921 -3.82383 1.88386 in (null):S-9999 (18) and CE1(231) at 1.0496 -2.8388 0.628077 in (null):F-9999 (30) other bump:2.2635 Ang CB(134) at 1.34909 -4.08935 1.38582 in (null):S-9999 (18) and CD1(229) at 1.75027 -3.02726 -0.572351 in (null):F-9999 (30) other bump:3.06739 Ang CB(134) at 1.34909 -4.08935 1.38582 in (null):S-9999 (18) and CG(228) at 1.15282 -3.68108 -1.64793 in (null):F-9999 (30) other bump:2.80046 Ang CG(5) at 6.32094 -0.432769 -12.7291 in (null):F-9999 (1) and CG(208) at 7.88516 -2.73669 -13.0253 in (null):E-9999 (27) other bump:2.1527 Ang CD1(6) at 7.55552 -0.763464 -12.2304 in (null):F-9999 (1) and CG(208) at 7.88516 -2.73669 -13.0253 in (null):E-9999 (27) other bump:2.09354 Ang CE1(8) at 8.70579 -0.811402 -12.9731 in (null):F-9999 (1) and CG(208) at 7.88516 -2.73669 -13.0253 in (null):E-9999 (27) other bump:2.23336 Ang CD1(6) at 7.55552 -0.763464 -12.2304 in (null):F-9999 (1) and CB(207) at 8.15122 -2.79839 -11.5289 in (null):E-9999 (27) other bump:2.51819 Ang CE1(8) at 8.70579 -0.811402 -12.9731 in (null):F-9999 (1) and CB(207) at 8.15122 -2.79839 -11.5289 in (null):E-9999 (27) other bump:3.01192 Ang CG(5) at 6.32094 -0.432769 -12.7291 in (null):F-9999 (1) and CA(206) at 8.519 -1.365 -10.893 in (null):E-9999 (27) other bump:1.75465 Ang CD1(6) at 7.55552 -0.763464 -12.2304 in (null):F-9999 (1) and CA(206) at 8.519 -1.365 -10.893 in (null):E-9999 (27) other bump:2.16057 Ang CE1(8) at 8.70579 -0.811402 -12.9731 in (null):F-9999 (1) and CA(206) at 8.519 -1.365 -10.893 in (null):E-9999 (27) other bump:2.48174 Ang CD1(6) at 7.55552 -0.763464 -12.2304 in (null):F-9999 (1) and N(205) at 9.863 -1.092 -11.378 in (null):E-9999 (27) other bump:1.99051 Ang CE1(8) at 8.70579 -0.811402 -12.9731 in (null):F-9999 (1) and N(205) at 9.863 -1.092 -11.378 in (null):E-9999 (27) other bump:3.24037 Ang CZ(10) at 8.64002 -0.446893 -14.3086 in (null):F-9999 (1) and N(205) at 9.863 -1.092 -11.378 in (null):E-9999 (27) other bump:2.54266 Ang CD1(6) at 7.55552 -0.763464 -12.2304 in (null):F-9999 (1) and C(204) at 10.062 -0.635 -12.638 in (null):E-9999 (26) other bump:1.40808 Ang CE1(8) at 8.70579 -0.811402 -12.9731 in (null):F-9999 (1) and C(204) at 10.062 -0.635 -12.638 in (null):E-9999 (26) other bump:2.20186 Ang CZ(10) at 8.64002 -0.446893 -14.3086 in (null):F-9999 (1) and C(204) at 10.062 -0.635 -12.638 in (null):E-9999 (26) other bump:2.01562 Ang CD1(6) at 7.55552 -0.763464 -12.2304 in (null):F-9999 (1) and O(203) at 9.147 -0.462 -13.43 in (null):E-9999 (26) other bump:0.724935 Ang CE1(8) at 8.70579 -0.811402 -12.9731 in (null):F-9999 (1) and O(203) at 9.147 -0.462 -13.43 in (null):E-9999 (26) other bump:2.25327 Ang CE2(9) at 7.40667 -0.0927613 -14.8128 in (null):F-9999 (1) and O(203) at 9.147 -0.462 -13.43 in (null):E-9999 (26) other bump:1.01446 Ang CZ(10) at 8.64002 -0.446893 -14.3086 in (null):F-9999 (1) and O(203) at 9.147 -0.462 -13.43 in (null):E-9999 (26) neighbor-bump: 1.93975 Ang O(194) at 14.072 -1.158 -12.114 in (null):T-9999 (25) and CG(199) at 13.5307 -1.53653 -13.9378 in (null):E-9999 (26) neighbor-bump: 2.72818 Ang C(195) at 13.399 -0.364 -11.478 in (null):T-9999 (25) and CG(199) at 13.5307 -1.53653 -13.9378 in (null):E-9999 (26) other bump:2.8229 Ang CE1(8) at 8.70579 -0.811402 -12.9731 in (null):F-9999 (1) and CA(197) at 11.486 -0.332 -13.07 in (null):E-9999 (26) other bump:3.10593 Ang CZ(10) at 8.64002 -0.446893 -14.3086 in (null):F-9999 (1) and CA(197) at 11.486 -0.332 -13.07 in (null):E-9999 (26) other bump:3.17857 Ang CA(99) at 4.587 -2.344 3.001 in (null):K-9999 (14) and CD(161) at 6.02883 -4.74663 1.5004 in (null):P-9999 (21) other bump:2.36145 Ang CB(100) at 6.034 -2.603 2.491 in (null):K-9999 (14) and CD(161) at 6.02883 -4.74663 1.5004 in (null):P-9999 (21) other bump:2.08717 Ang CB(100) at 6.034 -2.603 2.491 in (null):K-9999 (14) and CG(160) at 6.58678 -3.56048 0.720708 in (null):P-9999 (21) other bump:3.01337 Ang CG(101) at 7.288 -2.238 3.336 in (null):K-9999 (14) and CG(160) at 6.58678 -3.56048 0.720708 in (null):P-9999 (21) neighbor-bump: 2.22677 Ang O(147) at 3.439 -8.81 3.731 in (null):F-9999 (19) and CB(151) at 5.26268 -8.64385 2.46407 in (null):L-9999 (20) neighbor-bump: 2.6049 Ang C(148) at 3.127 -7.641 3.568 in (null):F-9999 (19) and CB(151) at 5.26268 -8.64385 2.46407 in (null):L-9999 (20) other bump:2.68196 Ang CA(99) at 4.587 -2.344 3.001 in (null):K-9999 (14) and OG(135) at 2.64921 -3.82383 1.88386 in (null):S-9999 (18) other bump:2.87065 Ang CB(95) at 2.994 1.881 1.788 in (null):A-9999 (13) and CD1(128) at 0.241619 2.67077 1.99119 in (null):L-9999 (17) neighbor-bump: 2.99469 Ang C(12) at 5.31 1.961 -11.102 in (null):F-9999 (1) and CG1(16) at 3.771 4.291 -10.02 in (null):V-9999 (2) Number of specific fragments= 3 total=611 Number of alignments=190 # Reading fragments from alignment file # T0136 read from 1iba-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1iba read from 1iba-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 1 :VTGEDVTA 1iba 15 :MAPALVAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.38131 Ang CA(28) at 0.121 6.025 5 in (null):D-9999 (4) and CB(29) at 0.786219 5.08796 5.76646 in (null):D-9999 (4) T0136 11 :LGGAEAHMAISGNIHFVAEDDDAAELIA 1iba 23 :FGGKENITNLDACITRLRVSVADVSKVD Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.19713 Ang O(163) at 7.215 8.113 -5.327 in (null):A-9999 (23) and CD1(192) at 5.99609 7.90903 -3.5104 in (null):I-9999 (27) other bump:2.2027 Ang O(163) at 7.215 8.113 -5.327 in (null):A-9999 (23) and CG1(190) at 7.29122 7.14716 -3.34882 in (null):I-9999 (27) other bump:2.19319 Ang CD2(41) at 2.07979 3.79435 -8.56819 in (null):H-9999 (7) and OD2(149) at 3.84336 4.94346 -7.95219 in (null):D-9999 (21) other bump:2.74267 Ang CE1(43) at 2.07645 2.3402 -10.2256 in (null):H-9999 (7) and N(136) at 3.906 0.335 -9.833 in (null):D-9999 (20) other bump:2.9784 Ang CE1(43) at 2.07645 2.3402 -10.2256 in (null):H-9999 (7) and C(135) at 3.879 0.687 -8.526 in (null):E-9999 (19) other bump:2.39182 Ang NE2(44) at 2.64926 2.66073 -9.08539 in (null):H-9999 (7) and C(135) at 3.879 0.687 -8.526 in (null):E-9999 (19) other bump:2.29588 Ang O(8) at -0.096 5.308 -4.29 in (null):L-9999 (1) and OE2(133) at 0.705209 4.44286 -6.25994 in (null):E-9999 (19) other bump:2.59749 Ang CD1(6) at 3.846 4.753 -4.185 in (null):L-9999 (1) and OE1(132) at 1.9082 3.18295 -4.91084 in (null):E-9999 (19) other bump:2.65821 Ang CD2(7) at 3.734 2.619 -3.063 in (null):L-9999 (1) and OE1(132) at 1.9082 3.18295 -4.91084 in (null):E-9999 (19) other bump:2.66463 Ang CD2(41) at 2.07979 3.79435 -8.56819 in (null):H-9999 (7) and CD(131) at 1.37706 3.41654 -6.02581 in (null):E-9999 (19) other bump:2.8829 Ang CG(40) at 1.09378 4.13246 -9.45967 in (null):H-9999 (7) and CG(130) at 1.58283 2.43775 -7.17935 in (null):E-9999 (19) other bump:2.00405 Ang CD2(41) at 2.07979 3.79435 -8.56819 in (null):H-9999 (7) and CG(130) at 1.58283 2.43775 -7.17935 in (null):E-9999 (19) other bump:2.19545 Ang NE2(44) at 2.64926 2.66073 -9.08539 in (null):H-9999 (7) and CG(130) at 1.58283 2.43775 -7.17935 in (null):E-9999 (19) other bump:2.77486 Ang NE2(44) at 2.64926 2.66073 -9.08539 in (null):H-9999 (7) and CA(128) at 2.675 0.252 -7.708 in (null):E-9999 (19) neighbor-bump: 1.86517 Ang OD1(83) at -5.22344 -11.0585 -6.95356 in (null):N-9999 (13) and CD1(91) at -5.615 -12.456 -5.782 in (null):I-9999 (14) other bump:2.91757 Ang ND1(42) at 1.10608 3.21736 -10.4827 in (null):H-9999 (7) and CG1(63) at -1.18693 1.81637 -9.34622 in (null):I-9999 (10) other bump:2.77557 Ang ND1(42) at 1.10608 3.21736 -10.4827 in (null):H-9999 (7) and C(59) at 0.526 0.888 -11.876 in (null):A-9999 (9) other bump:2.6901 Ang CE1(43) at 2.07645 2.3402 -10.2256 in (null):H-9999 (7) and C(59) at 0.526 0.888 -11.876 in (null):A-9999 (9) other bump:2.07665 Ang ND1(42) at 1.10608 3.21736 -10.4827 in (null):H-9999 (7) and O(58) at 1.263 1.201 -10.954 in (null):A-9999 (9) other bump:1.57799 Ang CE1(43) at 2.07645 2.3402 -10.2256 in (null):H-9999 (7) and O(58) at 1.263 1.201 -10.954 in (null):A-9999 (9) self-bump: 1.39813 Ang CA(48) at 1.288 5.206 -13.947 in (null):M-9999 (8) and CB(49) at 2.25839 5.43702 -14.9267 in (null):M-9999 (8) T0136 39 :KKL 1iba 55 :KKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 42 :LSFLPQNNTEEASFVNPNNDV 1iba 60 :AGVVVAGSGVQAIFGTKSDNL Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.07817 Ang CD2(7) at -0.426223 -7.16125 6.07267 in (null):L-9999 (1) and CG2(164) at -1.51502 -5.54337 6.79084 in (null):V-9999 (21) other bump:2.55446 Ang CA(115) at -1.553 -11.774 1.977 in (null):V-9999 (15) and OD1(141) at -2.90109 -9.81569 2.91131 in (null):N-9999 (18) other bump:2.76918 Ang C(120) at -1.341 -12.04 3.447 in (null):V-9999 (15) and OD1(141) at -2.90109 -9.81569 2.91131 in (null):N-9999 (18) other bump:2.77442 Ang CA(104) at -1.422 -7.99 1.436 in (null):F-9999 (14) and OD1(141) at -2.90109 -9.81569 2.91131 in (null):N-9999 (18) other bump:0.806556 Ang O(112) at -3.098 -9.416 2.239 in (null):F-9999 (14) and OD1(141) at -2.90109 -9.81569 2.91131 in (null):N-9999 (18) other bump:1.52112 Ang C(113) at -1.96 -9.347 1.812 in (null):F-9999 (14) and OD1(141) at -2.90109 -9.81569 2.91131 in (null):N-9999 (18) other bump:2.24995 Ang N(114) at -1.132 -10.413 1.656 in (null):V-9999 (15) and OD1(141) at -2.90109 -9.81569 2.91131 in (null):N-9999 (18) other bump:2.63121 Ang CD1(6) at -1.38742 -9.19213 4.97122 in (null):L-9999 (1) and OD1(141) at -2.90109 -9.81569 2.91131 in (null):N-9999 (18) other bump:2.46383 Ang CG2(118) at -3.15151 -12.6633 0.435475 in (null):V-9999 (15) and ND2(140) at -4.40719 -10.956 1.69191 in (null):N-9999 (18) other bump:2.09399 Ang O(112) at -3.098 -9.416 2.239 in (null):F-9999 (14) and ND2(140) at -4.40719 -10.956 1.69191 in (null):N-9999 (18) other bump:2.97818 Ang CA(115) at -1.553 -11.774 1.977 in (null):V-9999 (15) and CG(139) at -4.01991 -10.3191 2.79372 in (null):N-9999 (18) other bump:3.25038 Ang C(120) at -1.341 -12.04 3.447 in (null):V-9999 (15) and CG(139) at -4.01991 -10.3191 2.79372 in (null):N-9999 (18) other bump:1.40469 Ang O(112) at -3.098 -9.416 2.239 in (null):F-9999 (14) and CG(139) at -4.01991 -10.3191 2.79372 in (null):N-9999 (18) other bump:2.4803 Ang C(113) at -1.96 -9.347 1.812 in (null):F-9999 (14) and CG(139) at -4.01991 -10.3191 2.79372 in (null):N-9999 (18) other bump:3.10536 Ang N(114) at -1.132 -10.413 1.656 in (null):V-9999 (15) and CG(139) at -4.01991 -10.3191 2.79372 in (null):N-9999 (18) other bump:2.6905 Ang O(112) at -3.098 -9.416 2.239 in (null):F-9999 (14) and CB(138) at -5.03734 -10.2338 3.91498 in (null):N-9999 (18) other bump:3.1288 Ang CD1(6) at -1.38742 -9.19213 4.97122 in (null):L-9999 (1) and CA(137) at -4.49 -9.58 5.085 in (null):N-9999 (18) other bump:2.7377 Ang CD1(6) at -1.38742 -9.19213 4.97122 in (null):L-9999 (1) and N(136) at -3.643 -10.412 5.93 in (null):N-9999 (18) other bump:2.35038 Ang CD1(6) at -1.38742 -9.19213 4.97122 in (null):L-9999 (1) and C(135) at -2.742 -9.855 6.774 in (null):P-9999 (17) other bump:2.33436 Ang CD1(6) at -1.38742 -9.19213 4.97122 in (null):L-9999 (1) and O(134) at -2.595 -8.65 6.894 in (null):P-9999 (17) other bump:3.11676 Ang CD1(6) at -1.38742 -9.19213 4.97122 in (null):L-9999 (1) and CA(130) at -1.912 -10.834 7.568 in (null):P-9999 (17) neighbor-bump: 3.0637 Ang CG1(117) at -2.6528 -13.767 2.62376 in (null):V-9999 (15) and CA(122) at -1.036 -13.743 5.226 in (null):N-9999 (16) neighbor-bump: 2.46979 Ang CB(116) at -2.11078 -12.84 1.55123 in (null):V-9999 (15) and N(121) at -1.415 -13.329 3.87 in (null):N-9999 (16) neighbor-bump: 1.81029 Ang CG1(117) at -2.6528 -13.767 2.62376 in (null):V-9999 (15) and N(121) at -1.415 -13.329 3.87 in (null):N-9999 (16) self-bump: 2.19694 Ang CB(116) at -2.11078 -12.84 1.55123 in (null):V-9999 (15) and C(120) at -1.341 -12.04 3.447 in (null):V-9999 (15) self-bump: 2.31974 Ang CG1(117) at -2.6528 -13.767 2.62376 in (null):V-9999 (15) and C(120) at -1.341 -12.04 3.447 in (null):V-9999 (15) other bump:2.07256 Ang CD1(6) at -1.38742 -9.19213 4.97122 in (null):L-9999 (1) and O(119) at -1.103 -11.078 4.16 in (null):V-9999 (15) self-bump: 1.27625 Ang CA(115) at -1.553 -11.774 1.977 in (null):V-9999 (15) and CB(116) at -2.11078 -12.84 1.55123 in (null):V-9999 (15) other bump:2.81813 Ang CD2(32) at 7.46552 -7.19463 -4.86028 in (null):L-9999 (4) and CB(85) at 5.4937 -6.30369 -6.66583 in (null):E-9999 (11) neighbor-bump: 2.39784 Ang O(65) at 9.147 -0.462 -13.43 in (null):N-9999 (8) and CG2(70) at 7.86155 -2.46077 -13.1103 in (null):T-9999 (9) neighbor-bump: 2.89801 Ang C(66) at 10.062 -0.635 -12.638 in (null):N-9999 (8) and CG2(70) at 7.86155 -2.46077 -13.1103 in (null):T-9999 (9) neighbor-bump: 2.19604 Ang O(57) at 14.072 -1.158 -12.114 in (null):N-9999 (7) and CG(62) at 13.4647 -1.26561 -14.2217 in (null):N-9999 (8) T0136 65 :NTELRDIVPI 1iba 81 :KTEMDEYIRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 5 total=616 Number of alignments=191 # Reading fragments from alignment file # T0136 read from 1iba-T0136-local-adpstyle1.pw.a2m.gz # 1iba read from 1iba-T0136-local-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 79 :GYDVRDVIAKIVDW 1iba 74 :GTKSDNLKTEMDEY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.5144 Ang CG1(29) at -6.14232 -9.42719 3.25213 in (null):V-9999 (4) and CD1(64) at -7.8528 -7.58602 3.33333 in (null):I-9999 (8) other bump:2.84956 Ang CA(3) at -1.553 -11.774 1.977 in (null):G-9999 (1) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) other bump:3.03715 Ang C(5) at -1.341 -12.04 3.447 in (null):G-9999 (1) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) other bump:1.73393 Ang O(0) at -3.098 -9.416 2.239 in (null):G-9999 (0) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) other bump:2.71231 Ang C(1) at -1.96 -9.347 1.812 in (null):G-9999 (0) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) self-bump: 1.39329 Ang CA(7) at -1.036 -13.743 5.226 in (null):Y-9999 (2) and CB(8) at 0.265766 -13.9376 5.68297 in (null):Y-9999 (2) Number of specific fragments= 1 total=617 # Reading fragments from alignment file # T0136 read from 1iba-T0136-local-adpstyle5.pw.a2m.gz # 1iba read from 1iba-T0136-local-adpstyle5.pw.a2m.gz # found chain 1iba in template set Number of specific fragments= 0 total=617 # Reading fragments from alignment file # T0136 read from 1iba-T0136-vit-adpstyle1.pw.a2m.gz # 1iba read from 1iba-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 79 :GYDVRDVIAKIVDW 1iba 74 :GTKSDNLKTEMDEY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.5144 Ang CG1(29) at -6.14232 -9.42719 3.25213 in (null):V-9999 (4) and CD1(64) at -7.8528 -7.58602 3.33333 in (null):I-9999 (8) other bump:2.84956 Ang CA(3) at -1.553 -11.774 1.977 in (null):G-9999 (1) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) other bump:3.03715 Ang C(5) at -1.341 -12.04 3.447 in (null):G-9999 (1) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) other bump:1.73393 Ang O(0) at -3.098 -9.416 2.239 in (null):G-9999 (0) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) other bump:2.71231 Ang C(1) at -1.96 -9.347 1.812 in (null):G-9999 (0) and CG2(30) at -4.02248 -10.7133 2.92383 in (null):V-9999 (4) self-bump: 1.39329 Ang CA(7) at -1.036 -13.743 5.226 in (null):Y-9999 (2) and CB(8) at 0.265766 -13.9376 5.68297 in (null):Y-9999 (2) Number of specific fragments= 1 total=618 # Reading fragments from alignment file # T0136 read from 1iba-T0136-vit-adpstyle5.pw.a2m.gz # 1iba read from 1iba-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1iba in template set Number of specific fragments= 0 total=618 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=619 Number of alignments=192 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 38 :AKKLLSFLPQNNTEE 1iba 16 :APALVAAFGGKENIT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.47154 Ang C(57) at 1.455 7.421 -0.788 in (null):F-9999 (7) and ND2(86) at 1.26497 7.86478 -3.21194 in (null):N-9999 (11) other bump:2.44186 Ang CA(59) at 1.299 5.56 -2.406 in (null):L-9999 (8) and ND2(86) at 1.26497 7.86478 -3.21194 in (null):N-9999 (11) other bump:2.09173 Ang O(56) at 2.354 7.948 -1.428 in (null):F-9999 (7) and ND2(86) at 1.26497 7.86478 -3.21194 in (null):N-9999 (11) other bump:2.45252 Ang CA(42) at -2.728 7.34 0.899 in (null):S-9999 (6) and CG(76) at -4.77501 6.95895 -0.396924 in (null):Q-9999 (10) other bump:2.91962 Ang CB(43) at -3.31076 8.54603 1.56811 in (null):S-9999 (6) and CG(76) at -4.77501 6.95895 -0.396924 in (null):Q-9999 (10) other bump:2.70147 Ang OG(44) at -4.65185 8.26629 1.96393 in (null):S-9999 (6) and CG(76) at -4.77501 6.95895 -0.396924 in (null):Q-9999 (10) other bump:2.689 Ang CA(42) at -2.728 7.34 0.899 in (null):S-9999 (6) and CB(75) at -4.04683 7.86674 -1.38441 in (null):Q-9999 (10) other bump:3.11779 Ang CB(43) at -3.31076 8.54603 1.56811 in (null):S-9999 (6) and CB(75) at -4.04683 7.86674 -1.38441 in (null):Q-9999 (10) other bump:2.69465 Ang O(45) at -1.386 7.939 -0.965 in (null):S-9999 (6) and CB(75) at -4.04683 7.86674 -1.38441 in (null):Q-9999 (10) other bump:3.0953 Ang C(46) at -1.413 7.71 0.234 in (null):S-9999 (6) and CB(75) at -4.04683 7.86674 -1.38441 in (null):Q-9999 (10) other bump:2.5792 Ang O(39) at -1.923 4.814 0.256 in (null):L-9999 (5) and CD(70) at -0.3505 3.5011 -1.31111 in (null):P-9999 (9) T0136 54 :SFVNPN 1iba 31 :NLDACI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.35569 Ang ND2(45) at -5.92589 -12.235 -4.20794 in (null):N-9999 (6) and N(49) at -5.543 -10.276 -2.957 in (null):G-9999 (7) self-bump: 1.34916 Ang CA(42) at -7.563 -10.266 -4.406 in (null):N-9999 (6) and CB(43) at -8.16233 -11.4614 -4.2272 in (null):N-9999 (6) neighbor-bump: 1.7272 Ang C(33) at -5.162 -5.727 -7.831 in (null):N-9999 (4) and CD(38) at -3.86849 -6.44177 -6.93705 in (null):P-9999 (5) neighbor-bump: 2.3386 Ang CA(27) at -4.599 -4.334 -7.639 in (null):N-9999 (4) and CD(38) at -3.86849 -6.44177 -6.93705 in (null):P-9999 (5) other bump:2.2861 Ang O(24) at -2.367 -5.679 -8.483 in (null):V-9999 (3) and CD(38) at -3.86849 -6.44177 -6.93705 in (null):P-9999 (5) other bump:3.0535 Ang CE2(15) at -4.08707 -0.962018 -7.01635 in (null):F-9999 (2) and CB(28) at -5.86131 -3.37156 -7.62466 in (null):N-9999 (4) T0136 66 :TEL 1iba 37 :TRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 70 :D 1iba 40 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 72 :VPIDGKKGYDVRDVIAK 1iba 41 :VSVADVSKVDQAGLKKL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.64167 Ang CG1(81) at 7.44124 0.324604 -0.3521 in (null):V-9999 (11) and CD1(116) at 7.9009 -1.92164 0.959966 in (null):I-9999 (15) other bump:2.98345 Ang CG1(81) at 7.44124 0.324604 -0.3521 in (null):V-9999 (11) and CG1(114) at 6.41034 -1.94948 1.28092 in (null):I-9999 (15) other bump:2.36859 Ang O(76) at 5.43 4.008 2.605 in (null):D-9999 (10) and CG2(108) at 3.18996 3.56235 1.97745 in (null):V-9999 (14) other bump:2.10244 Ang OH(67) at 3.57416 2.77658 -0.653756 in (null):Y-9999 (9) and CG1(107) at 2.51013 1.53992 0.672428 in (null):V-9999 (14) other bump:2.49474 Ang OH(67) at 3.57416 2.77658 -0.653756 in (null):Y-9999 (9) and CB(106) at 3.45531 2.06892 1.73556 in (null):V-9999 (14) other bump:1.66841 Ang CE2(65) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (9) and CG2(82) at 7.07556 2.48845 -1.55189 in (null):V-9999 (11) other bump:1.91594 Ang CD2(63) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (9) and CG2(82) at 7.07556 2.48845 -1.55189 in (null):V-9999 (11) other bump:2.89122 Ang CZ(66) at 4.51125 3.71127 -1.01505 in (null):Y-9999 (9) and CG2(82) at 7.07556 2.48845 -1.55189 in (null):V-9999 (11) other bump:2.43568 Ang CE2(65) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (9) and CB(80) at 7.61052 1.83067 -0.27111 in (null):V-9999 (11) other bump:2.80853 Ang CD2(63) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (9) and CB(80) at 7.61052 1.83067 -0.27111 in (null):V-9999 (11) other bump:2.31573 Ang CE2(65) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (9) and CA(79) at 6.86 2.369 0.931 in (null):V-9999 (11) other bump:2.91993 Ang CD2(63) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (9) and CA(79) at 6.86 2.369 0.931 in (null):V-9999 (11) other bump:2.48221 Ang CE2(65) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (9) and N(78) at 7.167 3.778 1.192 in (null):V-9999 (11) other bump:2.4945 Ang CD2(63) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (9) and N(78) at 7.167 3.778 1.192 in (null):V-9999 (11) neighbor-bump: 3.19054 Ang CE2(65) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (9) and C(77) at 6.413 4.487 2.068 in (null):D-9999 (10) other bump:2.71808 Ang CG2(20) at 5.47242 6.38758 -9.35856 in (null):I-9999 (3) and N(32) at 7.491 8.081 -8.691 in (null):G-9999 (5) neighbor-bump: 2.67542 Ang CG2(20) at 5.47242 6.38758 -9.35856 in (null):I-9999 (3) and N(24) at 7.752 6.14 -10.737 in (null):D-9999 (4) T0136 92 :WGDYLEVKAGY 1iba 81 :KTEMDEYIRNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 6 total=625 Number of alignments=193 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=626 Number of alignments=194 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=627 Number of alignments=195 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 11 :LGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 57 :LGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.22664 Ang N(122) at -1.132 -10.413 1.656 in (null):A-9999 (18) and OD2(149) at -2.99265 -9.96306 2.79331 in (null):D-9999 (21) other bump:2.45325 Ang CA(123) at -1.553 -11.774 1.977 in (null):A-9999 (18) and OD2(149) at -2.99265 -9.96306 2.79331 in (null):D-9999 (21) other bump:2.73294 Ang C(126) at -1.341 -12.04 3.447 in (null):A-9999 (18) and OD2(149) at -2.99265 -9.96306 2.79331 in (null):D-9999 (21) other bump:2.86395 Ang CA(116) at -1.422 -7.99 1.436 in (null):V-9999 (17) and OD2(149) at -2.99265 -9.96306 2.79331 in (null):D-9999 (21) other bump:0.785893 Ang O(120) at -3.098 -9.416 2.239 in (null):V-9999 (17) and OD2(149) at -2.99265 -9.96306 2.79331 in (null):D-9999 (21) other bump:1.55205 Ang C(121) at -1.96 -9.347 1.812 in (null):V-9999 (17) and OD2(149) at -2.99265 -9.96306 2.79331 in (null):D-9999 (21) other bump:2.94808 Ang CA(123) at -1.553 -11.774 1.977 in (null):A-9999 (18) and CG(147) at -4.09215 -10.5453 2.83385 in (null):D-9999 (21) other bump:3.19044 Ang C(126) at -1.341 -12.04 3.447 in (null):A-9999 (18) and CG(147) at -4.09215 -10.5453 2.83385 in (null):D-9999 (21) other bump:1.61786 Ang O(120) at -3.098 -9.416 2.239 in (null):V-9999 (17) and CG(147) at -4.09215 -10.5453 2.83385 in (null):D-9999 (21) other bump:2.65068 Ang C(121) at -1.96 -9.347 1.812 in (null):V-9999 (17) and CG(147) at -4.09215 -10.5453 2.83385 in (null):D-9999 (21) other bump:2.71429 Ang O(120) at -3.098 -9.416 2.239 in (null):V-9999 (17) and CB(146) at -5.10189 -10.1678 3.9083 in (null):D-9999 (21) other bump:2.06028 Ang CB(20) at 0.881 -8.337 4.382 in (null):A-9999 (4) and OD1(140) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (20) other bump:3.03512 Ang CB(20) at 0.881 -8.337 4.382 in (null):A-9999 (4) and CG(139) at 0.406278 -9.44917 7.16582 in (null):D-9999 (20) other bump:2.53605 Ang CA(15) at 0.15 -4.038 2.547 in (null):G-9999 (3) and CG2(119) at -1.4031 -5.5085 1.18425 in (null):V-9999 (17) other bump:2.80998 Ang NE2(101) at 0.343081 -3.45244 0.397173 in (null):H-9999 (15) and CG2(119) at -1.4031 -5.5085 1.18425 in (null):V-9999 (17) other bump:2.2365 Ang CA(15) at 0.15 -4.038 2.547 in (null):G-9999 (3) and NE2(101) at 0.343081 -3.45244 0.397173 in (null):H-9999 (15) other bump:2.76271 Ang N(14) at 0.287 -2.664 3.022 in (null):G-9999 (3) and CE1(100) at 1.37295 -2.63791 0.481804 in (null):H-9999 (15) other bump:2.77865 Ang CA(15) at 0.15 -4.038 2.547 in (null):G-9999 (3) and CE1(100) at 1.37295 -2.63791 0.481804 in (null):H-9999 (15) neighbor-bump: 2.56343 Ang CG2(64) at 13.7454 2.11493 -11.2382 in (null):I-9999 (10) and N(68) at 12.219 0.164 -11.898 in (null):S-9999 (11) self-bump: 1.3751 Ang CA(61) at 13.913 0.01 -10.104 in (null):I-9999 (10) and CB(62) at 13.872 1.3733 -9.92905 in (null):I-9999 (10) Number of specific fragments= 1 total=628 Number of alignments=196 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 16 :AH 1iba 16 :AP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 18 :MAISGNIHFVAED 1iba 21 :AAFGGKENITNLD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.42016 Ang O(21) at -0.096 5.308 -4.29 in (null):I-9999 (3) and CZ(67) at 1.80351 6.20157 -5.49439 in (null):F-9999 (9) other bump:3.16829 Ang C(22) at 0.082 4.999 -3.122 in (null):I-9999 (3) and CZ(67) at 1.80351 6.20157 -5.49439 in (null):F-9999 (9) other bump:2.84838 Ang CB(35) at 0.141867 8.51184 -5.37245 in (null):N-9999 (6) and CZ(67) at 1.80351 6.20157 -5.49439 in (null):F-9999 (9) other bump:3.19442 Ang CA(16) at 1.299 5.56 -2.406 in (null):I-9999 (3) and CZ(67) at 1.80351 6.20157 -5.49439 in (null):F-9999 (9) other bump:2.89854 Ang OD1(38) at 1.36435 8.0904 -3.34009 in (null):N-9999 (6) and CZ(67) at 1.80351 6.20157 -5.49439 in (null):F-9999 (9) other bump:1.62648 Ang O(21) at -0.096 5.308 -4.29 in (null):I-9999 (3) and CE2(66) at 0.486384 5.90116 -5.68801 in (null):F-9999 (9) other bump:2.74988 Ang C(22) at 0.082 4.999 -3.122 in (null):I-9999 (3) and CE2(66) at 0.486384 5.90116 -5.68801 in (null):F-9999 (9) other bump:2.65216 Ang CB(35) at 0.141867 8.51184 -5.37245 in (null):N-9999 (6) and CE2(66) at 0.486384 5.90116 -5.68801 in (null):F-9999 (9) other bump:2.31713 Ang O(39) at -1.357 7.44 -7.363 in (null):N-9999 (6) and CD2(64) at 0.0148987 5.61976 -6.94623 in (null):F-9999 (9) other bump:2.69809 Ang CA(16) at 1.299 5.56 -2.406 in (null):I-9999 (3) and OD1(38) at 1.36435 8.0904 -3.34009 in (null):N-9999 (6) other bump:2.63997 Ang C(14) at 1.455 7.421 -0.788 in (null):A-9999 (2) and OD1(38) at 1.36435 8.0904 -3.34009 in (null):N-9999 (6) other bump:2.15772 Ang O(13) at 2.354 7.948 -1.428 in (null):A-9999 (2) and OD1(38) at 1.36435 8.0904 -3.34009 in (null):N-9999 (6) T0136 48 :NNTEEASFVNPNNDVSPNTELRDIVPI 1iba 34 :ACITRLRVSVADVSKVDQAGLKKLGAA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:1.38966 Ang O(161) at 2.282 -0.816 2.535 in (null):L-9999 (21) and CD(201) at 1.25721 -1.75459 2.53028 in (null):P-9999 (26) other bump:2.55035 Ang C(162) at 3.282 -0.267 2.968 in (null):L-9999 (21) and CD(201) at 1.25721 -1.75459 2.53028 in (null):P-9999 (26) neighbor-bump: 2.5767 Ang CB(192) at -0.181462 0.366885 2.79281 in (null):V-9999 (25) and CD(201) at 1.25721 -1.75459 2.53028 in (null):P-9999 (26) other bump:1.98497 Ang O(161) at 2.282 -0.816 2.535 in (null):L-9999 (21) and CG(200) at 2.30977 -2.7555 2.11347 in (null):P-9999 (26) other bump:2.80501 Ang C(162) at 3.282 -0.267 2.968 in (null):L-9999 (21) and CG(200) at 2.30977 -2.7555 2.11347 in (null):P-9999 (26) self-bump: 2.21933 Ang N(197) at 0.287 -2.664 3.022 in (null):P-9999 (26) and CG(200) at 2.30977 -2.7555 2.11347 in (null):P-9999 (26) other bump:3.02572 Ang N(163) at 4.428 -0.918 3.25 in (null):R-9999 (22) and CG(200) at 2.30977 -2.7555 2.11347 in (null):P-9999 (26) other bump:2.47847 Ang CA(164) at 4.587 -2.344 3.001 in (null):R-9999 (22) and CG(200) at 2.30977 -2.7555 2.11347 in (null):P-9999 (26) other bump:2.83988 Ang C(173) at 4.209 -3.207 4.176 in (null):R-9999 (22) and CG(200) at 2.30977 -2.7555 2.11347 in (null):P-9999 (26) other bump:2.49615 Ang CG(158) at 1.501 2.157 1.409 in (null):L-9999 (21) and CG2(194) at -0.118199 1.82251 3.27904 in (null):V-9999 (25) other bump:2.83512 Ang CD2(160) at 0.99 1.251 0.25 in (null):L-9999 (21) and CG1(193) at -1.2237 0.230794 1.69798 in (null):V-9999 (25) other bump:2.93596 Ang CD2(160) at 0.99 1.251 0.25 in (null):L-9999 (21) and CB(192) at -0.181462 0.366885 2.79281 in (null):V-9999 (25) other bump:2.8196 Ang CG(158) at 1.501 2.157 1.409 in (null):L-9999 (21) and CB(192) at -0.181462 0.366885 2.79281 in (null):V-9999 (25) self-bump: 1.39302 Ang CA(125) at 6.801 5.911 2.412 in (null):P-9999 (17) and CB(126) at 6.73818 6.64649 3.59336 in (null):P-9999 (17) neighbor-bump: 2.87462 Ang C(110) at 11.513 10.837 -2.84 in (null):D-9999 (14) and CG2(115) at 11.1894 12.97 -0.940288 in (null):V-9999 (15) other bump:2.26445 Ang ND2(76) at 5.33035 7.28056 -9.05719 in (null):N-9999 (10) and CB(89) at 5.62937 9.00942 -7.62562 in (null):N-9999 (12) other bump:2.33307 Ang ND2(76) at 5.33035 7.28056 -9.05719 in (null):N-9999 (10) and N(87) at 7.491 8.081 -8.691 in (null):N-9999 (12) T0136 92 :WGDYLEVKAGY 1iba 81 :KTEMDEYIRNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 4 total=632 Number of alignments=197 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 10 :ELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 56 :KLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.22664 Ang N(131) at -1.132 -10.413 1.656 in (null):A-9999 (19) and OD2(158) at -2.99265 -9.96306 2.79331 in (null):D-9999 (22) other bump:2.45325 Ang CA(132) at -1.553 -11.774 1.977 in (null):A-9999 (19) and OD2(158) at -2.99265 -9.96306 2.79331 in (null):D-9999 (22) other bump:2.73294 Ang C(135) at -1.341 -12.04 3.447 in (null):A-9999 (19) and OD2(158) at -2.99265 -9.96306 2.79331 in (null):D-9999 (22) other bump:2.86395 Ang CA(125) at -1.422 -7.99 1.436 in (null):V-9999 (18) and OD2(158) at -2.99265 -9.96306 2.79331 in (null):D-9999 (22) other bump:0.785893 Ang O(129) at -3.098 -9.416 2.239 in (null):V-9999 (18) and OD2(158) at -2.99265 -9.96306 2.79331 in (null):D-9999 (22) other bump:1.55205 Ang C(130) at -1.96 -9.347 1.812 in (null):V-9999 (18) and OD2(158) at -2.99265 -9.96306 2.79331 in (null):D-9999 (22) other bump:2.94808 Ang CA(132) at -1.553 -11.774 1.977 in (null):A-9999 (19) and CG(156) at -4.09215 -10.5453 2.83385 in (null):D-9999 (22) other bump:3.19044 Ang C(135) at -1.341 -12.04 3.447 in (null):A-9999 (19) and CG(156) at -4.09215 -10.5453 2.83385 in (null):D-9999 (22) other bump:1.61786 Ang O(129) at -3.098 -9.416 2.239 in (null):V-9999 (18) and CG(156) at -4.09215 -10.5453 2.83385 in (null):D-9999 (22) other bump:2.65068 Ang C(130) at -1.96 -9.347 1.812 in (null):V-9999 (18) and CG(156) at -4.09215 -10.5453 2.83385 in (null):D-9999 (22) other bump:2.71429 Ang O(129) at -3.098 -9.416 2.239 in (null):V-9999 (18) and CB(155) at -5.10189 -10.1678 3.9083 in (null):D-9999 (22) other bump:2.06028 Ang CB(29) at 0.881 -8.337 4.382 in (null):A-9999 (5) and OD1(149) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (21) other bump:3.03512 Ang CB(29) at 0.881 -8.337 4.382 in (null):A-9999 (5) and CG(148) at 0.406278 -9.44917 7.16582 in (null):D-9999 (21) other bump:2.53605 Ang CA(24) at 0.15 -4.038 2.547 in (null):G-9999 (4) and CG2(128) at -1.4031 -5.5085 1.18425 in (null):V-9999 (18) other bump:2.80998 Ang NE2(110) at 0.343081 -3.45244 0.397173 in (null):H-9999 (16) and CG2(128) at -1.4031 -5.5085 1.18425 in (null):V-9999 (18) other bump:2.2365 Ang CA(24) at 0.15 -4.038 2.547 in (null):G-9999 (4) and NE2(110) at 0.343081 -3.45244 0.397173 in (null):H-9999 (16) other bump:2.76271 Ang N(23) at 0.287 -2.664 3.022 in (null):G-9999 (4) and CE1(109) at 1.37295 -2.63791 0.481804 in (null):H-9999 (16) other bump:2.77865 Ang CA(24) at 0.15 -4.038 2.547 in (null):G-9999 (4) and CE1(109) at 1.37295 -2.63791 0.481804 in (null):H-9999 (16) neighbor-bump: 2.56343 Ang CG2(73) at 13.7454 2.11493 -11.2382 in (null):I-9999 (11) and N(77) at 12.219 0.164 -11.898 in (null):S-9999 (12) self-bump: 1.3751 Ang CA(70) at 13.913 0.01 -10.104 in (null):I-9999 (11) and CB(71) at 13.872 1.3733 -9.92905 in (null):I-9999 (11) Number of specific fragments= 1 total=633 Number of alignments=198 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=634 Number of alignments=199 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=635 Number of alignments=200 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 16 :A 1iba 16 :A Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 35 :ELIAKKLLSFLPQNNTEEASF 1iba 17 :PALVAAFGGKENITNLDACIT Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.21463 Ang OD1(112) at 3.30421 3.46783 -13.8339 in (null):N-9999 (14) and N(115) at 1.281 2.83 -13.198 in (null):N-9999 (15) self-bump: 1.39731 Ang CA(108) at 1.288 5.206 -13.947 in (null):N-9999 (14) and CB(109) at 2.28455 5.33987 -14.9173 in (null):N-9999 (14) other bump:2.54803 Ang O(81) at -1.357 7.44 -7.363 in (null):F-9999 (10) and CG(101) at 0.520336 5.8207 -7.95118 in (null):Q-9999 (13) self-bump: 1.39854 Ang N(91) at -2.438 9.385 -9.306 in (null):P-9999 (12) and CD(95) at -2.41995 10.2023 -8.1713 in (null):P-9999 (12) other bump:2.60596 Ang C(82) at -1.999 8.158 -6.611 in (null):F-9999 (10) and CD(95) at -2.41995 10.2023 -8.1713 in (null):P-9999 (12) neighbor-bump: 2.32557 Ang N(83) at -3.289 8.485 -6.866 in (null):L-9999 (11) and CD(95) at -2.41995 10.2023 -8.1713 in (null):P-9999 (12) other bump:2.16644 Ang C(49) at 1.455 7.421 -0.788 in (null):K-9999 (6) and CZ(80) at 1.86599 9.4379 -1.46375 in (null):F-9999 (10) other bump:2.50456 Ang CA(42) at 1.009 8.12 0.486 in (null):K-9999 (6) and CZ(80) at 1.86599 9.4379 -1.46375 in (null):F-9999 (10) other bump:1.5682 Ang O(48) at 2.354 7.948 -1.428 in (null):K-9999 (6) and CZ(80) at 1.86599 9.4379 -1.46375 in (null):F-9999 (10) other bump:1.34882 Ang C(49) at 1.455 7.421 -0.788 in (null):K-9999 (6) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:2.18483 Ang N(50) at 0.878 6.256 -1.177 in (null):L-9999 (7) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:2.64557 Ang CA(51) at 1.299 5.56 -2.406 in (null):L-9999 (7) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:2.50605 Ang CA(42) at 1.009 8.12 0.486 in (null):K-9999 (6) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:0.768899 Ang O(48) at 2.354 7.948 -1.428 in (null):K-9999 (6) and CE2(79) at 1.77116 8.11371 -1.90134 in (null):F-9999 (10) other bump:3.04386 Ang C(57) at 0.082 4.999 -3.122 in (null):L-9999 (7) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.41704 Ang C(49) at 1.455 7.421 -0.788 in (null):K-9999 (6) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.5498 Ang N(50) at 0.878 6.256 -1.177 in (null):L-9999 (7) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.38325 Ang CA(51) at 1.299 5.56 -2.406 in (null):L-9999 (7) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:2.07163 Ang O(48) at 2.354 7.948 -1.428 in (null):K-9999 (6) and CD2(77) at 1.22624 7.81934 -3.16098 in (null):F-9999 (10) other bump:1.81868 Ang CA(33) at -2.728 7.34 0.899 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:1.71937 Ang C(40) at -1.413 7.71 0.234 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:2.39705 Ang CB(34) at -3.3716 8.56771 1.57153 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:1.42484 Ang O(39) at -1.386 7.939 -0.965 in (null):K-9999 (5) and OG(69) at -2.76847 8.17679 -0.715227 in (null):S-9999 (9) other bump:2.63385 Ang CA(33) at -2.728 7.34 0.899 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:3.03186 Ang C(40) at -1.413 7.71 0.234 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:3.07261 Ang CB(34) at -3.3716 8.56771 1.57153 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:2.63615 Ang O(39) at -1.386 7.939 -0.965 in (null):K-9999 (5) and CB(68) at -3.9922 7.85785 -1.35284 in (null):S-9999 (9) other bump:2.70838 Ang O(25) at 0.023 5.921 2.685 in (null):I-9999 (3) and CB(43) at 1.93796 7.60063 1.76461 in (null):K-9999 (6) T0136 67 :E 1iba 38 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 69 :R 1iba 39 :L Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 71 :IVPIDGKKGYDVRDVIAK 1iba 40 :RVSVADVSKVDQAGLKKL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.64167 Ang CG1(89) at 7.44124 0.324604 -0.3521 in (null):V-9999 (12) and CD1(124) at 7.9009 -1.92164 0.959966 in (null):I-9999 (16) other bump:2.98345 Ang CG1(89) at 7.44124 0.324604 -0.3521 in (null):V-9999 (12) and CG1(122) at 6.41034 -1.94948 1.28092 in (null):I-9999 (16) other bump:2.36859 Ang O(84) at 5.43 4.008 2.605 in (null):D-9999 (11) and CG2(116) at 3.18996 3.56235 1.97745 in (null):V-9999 (15) other bump:2.10244 Ang OH(75) at 3.57416 2.77658 -0.653756 in (null):Y-9999 (10) and CG1(115) at 2.51013 1.53992 0.672428 in (null):V-9999 (15) other bump:2.49474 Ang OH(75) at 3.57416 2.77658 -0.653756 in (null):Y-9999 (10) and CB(114) at 3.45531 2.06892 1.73556 in (null):V-9999 (15) other bump:1.91594 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and CG2(90) at 7.07556 2.48845 -1.55189 in (null):V-9999 (12) other bump:1.66841 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and CG2(90) at 7.07556 2.48845 -1.55189 in (null):V-9999 (12) other bump:2.89122 Ang CZ(74) at 4.51125 3.71127 -1.01505 in (null):Y-9999 (10) and CG2(90) at 7.07556 2.48845 -1.55189 in (null):V-9999 (12) other bump:2.80853 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and CB(88) at 7.61052 1.83067 -0.27111 in (null):V-9999 (12) other bump:2.43568 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and CB(88) at 7.61052 1.83067 -0.27111 in (null):V-9999 (12) other bump:2.91993 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and CA(87) at 6.86 2.369 0.931 in (null):V-9999 (12) other bump:2.31573 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and CA(87) at 6.86 2.369 0.931 in (null):V-9999 (12) other bump:2.4945 Ang CD2(71) at 6.81327 4.35511 -1.20891 in (null):Y-9999 (10) and N(86) at 7.167 3.778 1.192 in (null):V-9999 (12) other bump:2.48221 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and N(86) at 7.167 3.778 1.192 in (null):V-9999 (12) neighbor-bump: 3.19054 Ang CE2(73) at 5.8524 3.40264 -0.879783 in (null):Y-9999 (10) and C(85) at 6.413 4.487 2.068 in (null):D-9999 (11) other bump:2.71808 Ang CG2(28) at 5.47242 6.38758 -9.35856 in (null):I-9999 (4) and N(40) at 7.491 8.081 -8.691 in (null):G-9999 (6) neighbor-bump: 2.67542 Ang CG2(28) at 5.47242 6.38758 -9.35856 in (null):I-9999 (4) and N(32) at 7.752 6.14 -10.737 in (null):D-9999 (5) other bump:2.97545 Ang CG2(6) at 2.6563 -3.51051 -9.37549 in (null):I-9999 (1) and CD(21) at 3.23483 -0.821939 -10.5114 in (null):P-9999 (3) other bump:2.97368 Ang CG2(6) at 2.6563 -3.51051 -9.37549 in (null):I-9999 (1) and CG(20) at 4.44164 -1.64886 -10.8552 in (null):P-9999 (3) T0136 92 :WGDYLEVKAGY 1iba 81 :KTEMDEYIRNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 6 total=641 Number of alignments=201 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=642 Number of alignments=202 # Reading fragments from alignment file # T0136 read from T0136-1iba-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 8 :ADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLLSFL 1iba 54 :LKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYIRNF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.22664 Ang N(144) at -1.132 -10.413 1.656 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.45325 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.73294 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.86395 Ang CA(138) at -1.422 -7.99 1.436 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:0.785893 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:1.55205 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and OD2(171) at -2.99265 -9.96306 2.79331 in (null):D-9999 (24) other bump:2.94808 Ang CA(145) at -1.553 -11.774 1.977 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:3.19044 Ang C(148) at -1.341 -12.04 3.447 in (null):A-9999 (21) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:1.61786 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.65068 Ang C(143) at -1.96 -9.347 1.812 in (null):V-9999 (20) and CG(169) at -4.09215 -10.5453 2.83385 in (null):D-9999 (24) other bump:2.71429 Ang O(142) at -3.098 -9.416 2.239 in (null):V-9999 (20) and CB(168) at -5.10189 -10.1678 3.9083 in (null):D-9999 (24) other bump:2.06028 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and OD1(162) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (23) other bump:3.03512 Ang CB(42) at 0.881 -8.337 4.382 in (null):A-9999 (7) and CG(161) at 0.406278 -9.44917 7.16582 in (null):D-9999 (23) other bump:2.53605 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.80998 Ang NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) and CG2(141) at -1.4031 -5.5085 1.18425 in (null):V-9999 (20) other bump:2.2365 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and NE2(123) at 0.343081 -3.45244 0.397173 in (null):H-9999 (18) other bump:2.76271 Ang N(36) at 0.287 -2.664 3.022 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) other bump:2.77865 Ang CA(37) at 0.15 -4.038 2.547 in (null):G-9999 (6) and CE1(122) at 1.37295 -2.63791 0.481804 in (null):H-9999 (18) neighbor-bump: 2.56343 Ang CG2(86) at 13.7454 2.11493 -11.2382 in (null):I-9999 (13) and N(90) at 12.219 0.164 -11.898 in (null):S-9999 (14) self-bump: 1.3751 Ang CA(83) at 13.913 0.01 -10.104 in (null):I-9999 (13) and CB(84) at 13.872 1.3733 -9.92905 in (null):I-9999 (13) Number of specific fragments= 1 total=643 Number of alignments=203 # Reading fragments from alignment file # T0136 read from T0136-1iba-local-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-local-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 4 :EDVTADELGGAEAHMAISGNIHFV 1iba 50 :DQAGLKKLGAAGVVVAGSGVQAIF Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.54339 Ang CA(68) at 0.15 -4.038 2.547 in (null):G-9999 (10) and CG1(171) at -1.56823 -5.45611 1.32003 in (null):V-9999 (24) other bump:2.91882 Ang NE2(154) at 0.343081 -3.45244 0.397173 in (null):H-9999 (22) and CG1(171) at -1.56823 -5.45611 1.32003 in (null):V-9999 (24) other bump:2.2365 Ang CA(68) at 0.15 -4.038 2.547 in (null):G-9999 (10) and NE2(154) at 0.343081 -3.45244 0.397173 in (null):H-9999 (22) other bump:2.77865 Ang CA(68) at 0.15 -4.038 2.547 in (null):G-9999 (10) and CE1(153) at 1.37295 -2.63791 0.481804 in (null):H-9999 (22) other bump:2.76271 Ang N(67) at 0.287 -2.664 3.022 in (null):G-9999 (10) and CE1(153) at 1.37295 -2.63791 0.481804 in (null):H-9999 (22) neighbor-bump: 2.56343 Ang CG2(117) at 13.7454 2.11493 -11.2382 in (null):I-9999 (17) and N(121) at 12.219 0.164 -11.898 in (null):S-9999 (18) self-bump: 1.3751 Ang CA(114) at 13.913 0.01 -10.104 in (null):I-9999 (17) and CB(115) at 13.872 1.3733 -9.92905 in (null):I-9999 (17) other bump:2.33548 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and OE2(52) at 7.20046 -0.226172 7.9374 in (null):E-9999 (7) other bump:1.94834 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and OE1(51) at 7.1023 -1.64334 6.21751 in (null):E-9999 (7) other bump:2.37004 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and CD(50) at 6.75403 -1.24365 7.36291 in (null):E-9999 (7) other bump:2.19964 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and OD1(42) at 7.09545 -1.1486 4.00835 in (null):D-9999 (6) other bump:2.56565 Ang C(25) at 7.806 1.118 4.978 in (null):V-9999 (3) and OD1(42) at 7.09545 -1.1486 4.00835 in (null):D-9999 (6) Number of specific fragments= 1 total=644 Number of alignments=204 # Reading fragments from alignment file # T0136 read from T0136-1iba-local-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-local-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 5 :DVTADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLL 1iba 51 :QAGLKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYI Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.45325 Ang CA(167) at -1.553 -11.774 1.977 in (null):A-9999 (24) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.73294 Ang C(170) at -1.341 -12.04 3.447 in (null):A-9999 (24) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.86395 Ang CA(160) at -1.422 -7.99 1.436 in (null):V-9999 (23) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:0.785893 Ang O(164) at -3.098 -9.416 2.239 in (null):V-9999 (23) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:1.55205 Ang C(165) at -1.96 -9.347 1.812 in (null):V-9999 (23) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.22664 Ang N(166) at -1.132 -10.413 1.656 in (null):A-9999 (24) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.94808 Ang CA(167) at -1.553 -11.774 1.977 in (null):A-9999 (24) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:3.19044 Ang C(170) at -1.341 -12.04 3.447 in (null):A-9999 (24) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:1.61786 Ang O(164) at -3.098 -9.416 2.239 in (null):V-9999 (23) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:2.65068 Ang C(165) at -1.96 -9.347 1.812 in (null):V-9999 (23) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:2.71429 Ang O(164) at -3.098 -9.416 2.239 in (null):V-9999 (23) and CB(190) at -5.10189 -10.1678 3.9083 in (null):D-9999 (27) other bump:2.06028 Ang CB(64) at 0.881 -8.337 4.382 in (null):A-9999 (10) and OD1(184) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (26) other bump:3.03512 Ang CB(64) at 0.881 -8.337 4.382 in (null):A-9999 (10) and CG(183) at 0.406278 -9.44917 7.16582 in (null):D-9999 (26) other bump:2.53605 Ang CA(59) at 0.15 -4.038 2.547 in (null):G-9999 (9) and CG2(163) at -1.4031 -5.5085 1.18425 in (null):V-9999 (23) other bump:2.80998 Ang NE2(145) at 0.343081 -3.45244 0.397173 in (null):H-9999 (21) and CG2(163) at -1.4031 -5.5085 1.18425 in (null):V-9999 (23) other bump:2.2365 Ang CA(59) at 0.15 -4.038 2.547 in (null):G-9999 (9) and NE2(145) at 0.343081 -3.45244 0.397173 in (null):H-9999 (21) other bump:2.76271 Ang N(58) at 0.287 -2.664 3.022 in (null):G-9999 (9) and CE1(144) at 1.37295 -2.63791 0.481804 in (null):H-9999 (21) other bump:2.77865 Ang CA(59) at 0.15 -4.038 2.547 in (null):G-9999 (9) and CE1(144) at 1.37295 -2.63791 0.481804 in (null):H-9999 (21) neighbor-bump: 2.56343 Ang CG2(108) at 13.7454 2.11493 -11.2382 in (null):I-9999 (16) and N(112) at 12.219 0.164 -11.898 in (null):S-9999 (17) self-bump: 1.3751 Ang CA(105) at 13.913 0.01 -10.104 in (null):I-9999 (16) and CB(106) at 13.872 1.3733 -9.92905 in (null):I-9999 (16) other bump:2.33548 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and OE2(43) at 7.20046 -0.226172 7.9374 in (null):E-9999 (6) other bump:1.94834 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and OE1(42) at 7.1023 -1.64334 6.21751 in (null):E-9999 (6) other bump:2.37004 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and CD(41) at 6.75403 -1.24365 7.36291 in (null):E-9999 (6) other bump:2.19964 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and OD1(33) at 7.09545 -1.1486 4.00835 in (null):D-9999 (5) other bump:2.56565 Ang C(16) at 7.806 1.118 4.978 in (null):V-9999 (2) and OD1(33) at 7.09545 -1.1486 4.00835 in (null):D-9999 (5) Number of specific fragments= 1 total=645 Number of alignments=205 # Reading fragments from alignment file # T0136 read from T0136-1iba-simpleSW-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-simpleSW-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 10 :ELGGAEAHMAISG 1iba 56 :KLGAAGVVVAGSG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.56343 Ang CG2(73) at 13.7454 2.11493 -11.2382 in (null):I-9999 (11) and N(77) at 12.219 0.164 -11.898 in (null):S-9999 (12) self-bump: 1.3751 Ang CA(70) at 13.913 0.01 -10.104 in (null):I-9999 (11) and CB(71) at 13.872 1.3733 -9.92905 in (null):I-9999 (11) Number of specific fragments= 1 total=646 # Reading fragments from alignment file # T0136 read from T0136-1iba-simpleSW-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-simpleSW-adpstyle5.pw.a2m.gz # found chain 1iba in template set Number of specific fragments= 0 total=646 # Reading fragments from alignment file # T0136 read from T0136-1iba-vit-adpstyle1.pw.a2m.gz # 1iba read from T0136-1iba-vit-adpstyle1.pw.a2m.gz # found chain 1iba in template set T0136 4 :EDVTADELGGAEAHMAISGNIHFV 1iba 50 :DQAGLKKLGAAGVVVAGSGVQAIF Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.54339 Ang CA(68) at 0.15 -4.038 2.547 in (null):G-9999 (10) and CG1(171) at -1.56823 -5.45611 1.32003 in (null):V-9999 (24) other bump:2.91882 Ang NE2(154) at 0.343081 -3.45244 0.397173 in (null):H-9999 (22) and CG1(171) at -1.56823 -5.45611 1.32003 in (null):V-9999 (24) other bump:2.2365 Ang CA(68) at 0.15 -4.038 2.547 in (null):G-9999 (10) and NE2(154) at 0.343081 -3.45244 0.397173 in (null):H-9999 (22) other bump:2.77865 Ang CA(68) at 0.15 -4.038 2.547 in (null):G-9999 (10) and CE1(153) at 1.37295 -2.63791 0.481804 in (null):H-9999 (22) other bump:2.76271 Ang N(67) at 0.287 -2.664 3.022 in (null):G-9999 (10) and CE1(153) at 1.37295 -2.63791 0.481804 in (null):H-9999 (22) neighbor-bump: 2.56343 Ang CG2(117) at 13.7454 2.11493 -11.2382 in (null):I-9999 (17) and N(121) at 12.219 0.164 -11.898 in (null):S-9999 (18) self-bump: 1.3751 Ang CA(114) at 13.913 0.01 -10.104 in (null):I-9999 (17) and CB(115) at 13.872 1.3733 -9.92905 in (null):I-9999 (17) other bump:2.33548 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and OE2(52) at 7.20046 -0.226172 7.9374 in (null):E-9999 (7) other bump:1.94834 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and OE1(51) at 7.1023 -1.64334 6.21751 in (null):E-9999 (7) other bump:2.37004 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and CD(50) at 6.75403 -1.24365 7.36291 in (null):E-9999 (7) other bump:2.19964 Ang O(24) at 7.72 0.127 5.688 in (null):V-9999 (3) and OD1(42) at 7.09545 -1.1486 4.00835 in (null):D-9999 (6) other bump:2.56565 Ang C(25) at 7.806 1.118 4.978 in (null):V-9999 (3) and OD1(42) at 7.09545 -1.1486 4.00835 in (null):D-9999 (6) Number of specific fragments= 1 total=647 Number of alignments=206 # Reading fragments from alignment file # T0136 read from T0136-1iba-vit-adpstyle5.pw.a2m.gz # 1iba read from T0136-1iba-vit-adpstyle5.pw.a2m.gz # found chain 1iba in template set T0136 5 :DVTADELGGAEAHMAISGNIHFVAEDDDAAELIAKKLL 1iba 51 :QAGLKKLGAAGVVVAGSGVQAIFGTKSDNLKTEMDEYI Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.45325 Ang CA(167) at -1.553 -11.774 1.977 in (null):A-9999 (24) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.73294 Ang C(170) at -1.341 -12.04 3.447 in (null):A-9999 (24) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.86395 Ang CA(160) at -1.422 -7.99 1.436 in (null):V-9999 (23) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:0.785893 Ang O(164) at -3.098 -9.416 2.239 in (null):V-9999 (23) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:1.55205 Ang C(165) at -1.96 -9.347 1.812 in (null):V-9999 (23) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.22664 Ang N(166) at -1.132 -10.413 1.656 in (null):A-9999 (24) and OD2(193) at -2.99265 -9.96306 2.79331 in (null):D-9999 (27) other bump:2.94808 Ang CA(167) at -1.553 -11.774 1.977 in (null):A-9999 (24) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:3.19044 Ang C(170) at -1.341 -12.04 3.447 in (null):A-9999 (24) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:1.61786 Ang O(164) at -3.098 -9.416 2.239 in (null):V-9999 (23) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:2.65068 Ang C(165) at -1.96 -9.347 1.812 in (null):V-9999 (23) and CG(191) at -4.09215 -10.5453 2.83385 in (null):D-9999 (27) other bump:2.71429 Ang O(164) at -3.098 -9.416 2.239 in (null):V-9999 (23) and CB(190) at -5.10189 -10.1678 3.9083 in (null):D-9999 (27) other bump:2.06028 Ang CB(64) at 0.881 -8.337 4.382 in (null):A-9999 (10) and OD1(184) at 0.0833054 -9.38632 5.96547 in (null):D-9999 (26) other bump:3.03512 Ang CB(64) at 0.881 -8.337 4.382 in (null):A-9999 (10) and CG(183) at 0.406278 -9.44917 7.16582 in (null):D-9999 (26) other bump:2.53605 Ang CA(59) at 0.15 -4.038 2.547 in (null):G-9999 (9) and CG2(163) at -1.4031 -5.5085 1.18425 in (null):V-9999 (23) other bump:2.80998 Ang NE2(145) at 0.343081 -3.45244 0.397173 in (null):H-9999 (21) and CG2(163) at -1.4031 -5.5085 1.18425 in (null):V-9999 (23) other bump:2.2365 Ang CA(59) at 0.15 -4.038 2.547 in (null):G-9999 (9) and NE2(145) at 0.343081 -3.45244 0.397173 in (null):H-9999 (21) other bump:2.76271 Ang N(58) at 0.287 -2.664 3.022 in (null):G-9999 (9) and CE1(144) at 1.37295 -2.63791 0.481804 in (null):H-9999 (21) other bump:2.77865 Ang CA(59) at 0.15 -4.038 2.547 in (null):G-9999 (9) and CE1(144) at 1.37295 -2.63791 0.481804 in (null):H-9999 (21) neighbor-bump: 2.56343 Ang CG2(108) at 13.7454 2.11493 -11.2382 in (null):I-9999 (16) and N(112) at 12.219 0.164 -11.898 in (null):S-9999 (17) self-bump: 1.3751 Ang CA(105) at 13.913 0.01 -10.104 in (null):I-9999 (16) and CB(106) at 13.872 1.3733 -9.92905 in (null):I-9999 (16) other bump:2.33548 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and OE2(43) at 7.20046 -0.226172 7.9374 in (null):E-9999 (6) other bump:1.94834 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and OE1(42) at 7.1023 -1.64334 6.21751 in (null):E-9999 (6) other bump:2.37004 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and CD(41) at 6.75403 -1.24365 7.36291 in (null):E-9999 (6) other bump:2.19964 Ang O(15) at 7.72 0.127 5.688 in (null):V-9999 (2) and OD1(33) at 7.09545 -1.1486 4.00835 in (null):D-9999 (5) other bump:2.56565 Ang C(16) at 7.806 1.118 4.978 in (null):V-9999 (2) and OD1(33) at 7.09545 -1.1486 4.00835 in (null):D-9999 (5) Number of specific fragments= 1 total=648 Number of alignments=207 # command:# Prefix for input files set to 1abn/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-1abn-local-adpstyle1.pw.a2m.gz # 1abn read from T0136-1abn-local-adpstyle1.pw.a2m.gz # adding 1abn to template set 1abn:# found chain 1abn in template set Number of specific fragments= 0 total=648 # Reading fragments from alignment file # T0136 read from T0136-1abn-local-adpstyle5.pw.a2m.gz # 1abn read from T0136-1abn-local-adpstyle5.pw.a2m.gz # found chain 1abn in template set Number of specific fragments= 0 total=648 # Reading fragments from alignment file # T0136 read from T0136-1abn-simpleSW-adpstyle1.pw.a2m.gz # 1abn read from T0136-1abn-simpleSW-adpstyle1.pw.a2m.gz # found chain 1abn in template set Number of specific fragments= 0 total=648 # Reading fragments from alignment file # T0136 read from T0136-1abn-simpleSW-adpstyle5.pw.a2m.gz # 1abn read from T0136-1abn-simpleSW-adpstyle5.pw.a2m.gz # found chain 1abn in template set Number of specific fragments= 0 total=648 # Reading fragments from alignment file # T0136 read from T0136-1abn-vit-adpstyle1.pw.a2m.gz # 1abn read from T0136-1abn-vit-adpstyle1.pw.a2m.gz # found chain 1abn in template set Number of specific fragments= 0 total=648 # Reading fragments from alignment file # T0136 read from T0136-1abn-vit-adpstyle5.pw.a2m.gz # 1abn read from T0136-1abn-vit-adpstyle5.pw.a2m.gz # found chain 1abn in template set Number of specific fragments= 0 total=648 # command:# Prefix for input files set to 1az1/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-1az1-local-adpstyle1.pw.a2m.gz # 1az1 read from T0136-1az1-local-adpstyle1.pw.a2m.gz # adding 1az1 to template set 1az1:# found chain 1az1 in template set T0136 42 :LSFLPQNNTEEASFVNPNNDVSPNTELRDIVPIDGK 1az1 101 :LDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTN Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.88184 Ang CE2(110) at 6.3116 33.0991 52.5874 in (null):F-9999 (14) and O(280) at 4.932 35.413 51.564 in (null):K-9999 (36) other bump:2.68965 Ang CG2(257) at 5.25108 28.8694 48.7707 in (null):I-9999 (33) and N(269) at 5.145 31.201 47.434 in (null):G-9999 (35) other bump:2.50778 Ang O(119) at 6.956 25.121 51.174 in (null):V-9999 (15) and CD1(258) at 6.07095 27.4557 51.4079 in (null):I-9999 (33) other bump:2.76613 Ang CB(105) at 7.61833 29.7483 51.3757 in (null):F-9999 (14) and CD1(258) at 6.07095 27.4557 51.4079 in (null):I-9999 (33) other bump:2.2849 Ang O(119) at 6.956 25.121 51.174 in (null):V-9999 (15) and CG1(256) at 6.43636 27.0249 50.0225 in (null):I-9999 (33) other bump:2.73098 Ang C(120) at 7.994 24.85 50.572 in (null):V-9999 (15) and CG1(256) at 6.43636 27.0249 50.0225 in (null):I-9999 (33) other bump:3.13434 Ang N(114) at 9.072 26.754 51.697 in (null):V-9999 (15) and CG1(256) at 6.43636 27.0249 50.0225 in (null):I-9999 (33) other bump:3.03945 Ang CB(105) at 7.61833 29.7483 51.3757 in (null):F-9999 (14) and CB(255) at 6.57827 28.1436 49.0131 in (null):I-9999 (33) neighbor-bump: 2.97856 Ang CD(199) at 15.903 15.843 39.15 in (null):E-9999 (26) and CG(207) at 18.4862 17.2586 39.5913 in (null):L-9999 (27) neighbor-bump: 2.42729 Ang OE2(201) at 16.094 17.08 39.221 in (null):E-9999 (26) and CG(207) at 18.4862 17.2586 39.5913 in (null):L-9999 (27) other bump:2.68733 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and C(159) at 9.42 18.149 55.289 in (null):D-9999 (20) other bump:2.24223 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and O(158) at 8.9 19.043 54.626 in (null):D-9999 (20) other bump:2.632 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and CB(154) at 9.97226 16.4165 53.5783 in (null):D-9999 (20) other bump:2.46917 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and CA(153) at 9.254 16.69 54.888 in (null):D-9999 (20) other bump:2.04839 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and N(152) at 7.848 16.35 54.777 in (null):D-9999 (20) T0136 79 :GYDVRDVIAKIVDWG 1az1 137 :ILDTWAAMEELVDEG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.10122 Ang CD2(11) at 4.67759 42.8233 52.6221 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) other bump:2.53919 Ang CE2(13) at 5.69132 43.7663 52.7066 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) Number of specific fragments= 2 total=650 Number of alignments=208 # Reading fragments from alignment file # T0136 read from T0136-1az1-local-adpstyle5.pw.a2m.gz # 1az1 read from T0136-1az1-local-adpstyle5.pw.a2m.gz # found chain 1az1 in template set T0136 40 :KLLSFLPQNNTEEASFVNPNNDVSPNTELRDIVPIDGK 1az1 99 :LKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTN Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.88184 Ang CE2(127) at 6.3116 33.0991 52.5874 in (null):F-9999 (16) and O(297) at 4.932 35.413 51.564 in (null):K-9999 (38) other bump:2.68965 Ang CG2(274) at 5.25108 28.8694 48.7707 in (null):I-9999 (35) and N(286) at 5.145 31.201 47.434 in (null):G-9999 (37) other bump:2.50778 Ang O(136) at 6.956 25.121 51.174 in (null):V-9999 (17) and CD1(275) at 6.07095 27.4557 51.4079 in (null):I-9999 (35) other bump:2.76613 Ang CB(122) at 7.61833 29.7483 51.3757 in (null):F-9999 (16) and CD1(275) at 6.07095 27.4557 51.4079 in (null):I-9999 (35) other bump:2.2849 Ang O(136) at 6.956 25.121 51.174 in (null):V-9999 (17) and CG1(273) at 6.43636 27.0249 50.0225 in (null):I-9999 (35) other bump:2.73098 Ang C(137) at 7.994 24.85 50.572 in (null):V-9999 (17) and CG1(273) at 6.43636 27.0249 50.0225 in (null):I-9999 (35) other bump:3.13434 Ang N(131) at 9.072 26.754 51.697 in (null):V-9999 (17) and CG1(273) at 6.43636 27.0249 50.0225 in (null):I-9999 (35) other bump:3.03945 Ang CB(122) at 7.61833 29.7483 51.3757 in (null):F-9999 (16) and CB(272) at 6.57827 28.1436 49.0131 in (null):I-9999 (35) neighbor-bump: 2.97856 Ang CD(216) at 15.903 15.843 39.15 in (null):E-9999 (28) and CG(224) at 18.4862 17.2586 39.5913 in (null):L-9999 (29) neighbor-bump: 2.42729 Ang OE2(218) at 16.094 17.08 39.221 in (null):E-9999 (28) and CG(224) at 18.4862 17.2586 39.5913 in (null):L-9999 (29) other bump:2.68733 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and C(176) at 9.42 18.149 55.289 in (null):D-9999 (22) other bump:2.24223 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and O(175) at 8.9 19.043 54.626 in (null):D-9999 (22) other bump:2.632 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and CB(171) at 9.97226 16.4165 53.5783 in (null):D-9999 (22) other bump:2.46917 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and CA(170) at 9.254 16.69 54.888 in (null):D-9999 (22) other bump:2.04839 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and N(169) at 7.848 16.35 54.777 in (null):D-9999 (22) other bump:1.56813 Ang NZ(8) at 3.01813 27.9477 72.3896 in (null):K-9999 (1) and CD2(49) at 2.551 29.237 71.629 in (null):L-9999 (6) T0136 79 :GYDVRDVIAKIVDWG 1az1 137 :ILDTWAAMEELVDEG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.10122 Ang CD2(11) at 4.67759 42.8233 52.6221 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) other bump:2.53919 Ang CE2(13) at 5.69132 43.7663 52.7066 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) Number of specific fragments= 2 total=652 Number of alignments=209 # Reading fragments from alignment file # T0136 read from T0136-1az1-simpleSW-adpstyle1.pw.a2m.gz # 1az1 read from T0136-1az1-simpleSW-adpstyle1.pw.a2m.gz # found chain 1az1 in template set T0136 56 :VNPNNDVSPNTELRDIVPID 1az1 115 :FKPGKEFFPLDESGNVVPSD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.68965 Ang CG2(145) at 5.25108 28.8694 48.7707 in (null):I-9999 (19) and N(157) at 5.145 31.201 47.434 in (null):G-9999 (21) other bump:2.50778 Ang O(7) at 6.956 25.121 51.174 in (null):V-9999 (1) and CD1(146) at 6.07095 27.4557 51.4079 in (null):I-9999 (19) other bump:2.2849 Ang O(7) at 6.956 25.121 51.174 in (null):V-9999 (1) and CG1(144) at 6.43636 27.0249 50.0225 in (null):I-9999 (19) other bump:2.73098 Ang C(8) at 7.994 24.85 50.572 in (null):V-9999 (1) and CG1(144) at 6.43636 27.0249 50.0225 in (null):I-9999 (19) other bump:3.13434 Ang N(2) at 9.072 26.754 51.697 in (null):V-9999 (1) and CG1(144) at 6.43636 27.0249 50.0225 in (null):I-9999 (19) neighbor-bump: 2.97856 Ang CD(87) at 15.903 15.843 39.15 in (null):E-9999 (12) and CG(95) at 18.4862 17.2586 39.5913 in (null):L-9999 (13) neighbor-bump: 2.42729 Ang OE2(89) at 16.094 17.08 39.221 in (null):E-9999 (12) and CG(95) at 18.4862 17.2586 39.5913 in (null):L-9999 (13) other bump:2.68733 Ang ND2(28) at 7.70851 17.7213 53.2618 in (null):N-9999 (4) and C(47) at 9.42 18.149 55.289 in (null):D-9999 (6) other bump:2.24223 Ang ND2(28) at 7.70851 17.7213 53.2618 in (null):N-9999 (4) and O(46) at 8.9 19.043 54.626 in (null):D-9999 (6) other bump:2.632 Ang ND2(28) at 7.70851 17.7213 53.2618 in (null):N-9999 (4) and CB(42) at 9.97226 16.4165 53.5783 in (null):D-9999 (6) other bump:2.46917 Ang ND2(28) at 7.70851 17.7213 53.2618 in (null):N-9999 (4) and CA(41) at 9.254 16.69 54.888 in (null):D-9999 (6) other bump:2.04839 Ang ND2(28) at 7.70851 17.7213 53.2618 in (null):N-9999 (4) and N(40) at 7.848 16.35 54.777 in (null):D-9999 (6) Number of specific fragments= 1 total=653 Number of alignments=210 # Reading fragments from alignment file # T0136 read from T0136-1az1-simpleSW-adpstyle5.pw.a2m.gz # 1az1 read from T0136-1az1-simpleSW-adpstyle5.pw.a2m.gz # found chain 1az1 in template set T0136 55 :FVNPNNDVSPNTELRDIVP 1az1 114 :GFKPGKEFFPLDESGNVVP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.97856 Ang CD(98) at 15.903 15.843 39.15 in (null):E-9999 (13) and CG(106) at 18.4862 17.2586 39.5913 in (null):L-9999 (14) neighbor-bump: 2.42729 Ang OE2(100) at 16.094 17.08 39.221 in (null):E-9999 (13) and CG(106) at 18.4862 17.2586 39.5913 in (null):L-9999 (14) other bump:2.68733 Ang ND2(39) at 7.70851 17.7213 53.2618 in (null):N-9999 (5) and C(58) at 9.42 18.149 55.289 in (null):D-9999 (7) other bump:2.24223 Ang ND2(39) at 7.70851 17.7213 53.2618 in (null):N-9999 (5) and O(57) at 8.9 19.043 54.626 in (null):D-9999 (7) other bump:2.632 Ang ND2(39) at 7.70851 17.7213 53.2618 in (null):N-9999 (5) and CB(53) at 9.97226 16.4165 53.5783 in (null):D-9999 (7) other bump:2.46917 Ang ND2(39) at 7.70851 17.7213 53.2618 in (null):N-9999 (5) and CA(52) at 9.254 16.69 54.888 in (null):D-9999 (7) other bump:2.04839 Ang ND2(39) at 7.70851 17.7213 53.2618 in (null):N-9999 (5) and N(51) at 7.848 16.35 54.777 in (null):D-9999 (7) Number of specific fragments= 1 total=654 # Reading fragments from alignment file # T0136 read from T0136-1az1-vit-adpstyle1.pw.a2m.gz # 1az1 read from T0136-1az1-vit-adpstyle1.pw.a2m.gz # found chain 1az1 in template set T0136 42 :LSFLPQNNTEEASFVNPNNDVSPNTELRDIVPIDGK 1az1 101 :LDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTN Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.88184 Ang CE2(110) at 6.3116 33.0991 52.5874 in (null):F-9999 (14) and O(280) at 4.932 35.413 51.564 in (null):K-9999 (36) other bump:2.68965 Ang CG2(257) at 5.25108 28.8694 48.7707 in (null):I-9999 (33) and N(269) at 5.145 31.201 47.434 in (null):G-9999 (35) other bump:2.50778 Ang O(119) at 6.956 25.121 51.174 in (null):V-9999 (15) and CD1(258) at 6.07095 27.4557 51.4079 in (null):I-9999 (33) other bump:2.76613 Ang CB(105) at 7.61833 29.7483 51.3757 in (null):F-9999 (14) and CD1(258) at 6.07095 27.4557 51.4079 in (null):I-9999 (33) other bump:2.2849 Ang O(119) at 6.956 25.121 51.174 in (null):V-9999 (15) and CG1(256) at 6.43636 27.0249 50.0225 in (null):I-9999 (33) other bump:2.73098 Ang C(120) at 7.994 24.85 50.572 in (null):V-9999 (15) and CG1(256) at 6.43636 27.0249 50.0225 in (null):I-9999 (33) other bump:3.13434 Ang N(114) at 9.072 26.754 51.697 in (null):V-9999 (15) and CG1(256) at 6.43636 27.0249 50.0225 in (null):I-9999 (33) other bump:3.03945 Ang CB(105) at 7.61833 29.7483 51.3757 in (null):F-9999 (14) and CB(255) at 6.57827 28.1436 49.0131 in (null):I-9999 (33) neighbor-bump: 2.97856 Ang CD(199) at 15.903 15.843 39.15 in (null):E-9999 (26) and CG(207) at 18.4862 17.2586 39.5913 in (null):L-9999 (27) neighbor-bump: 2.42729 Ang OE2(201) at 16.094 17.08 39.221 in (null):E-9999 (26) and CG(207) at 18.4862 17.2586 39.5913 in (null):L-9999 (27) other bump:2.68733 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and C(159) at 9.42 18.149 55.289 in (null):D-9999 (20) other bump:2.24223 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and O(158) at 8.9 19.043 54.626 in (null):D-9999 (20) other bump:2.632 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and CB(154) at 9.97226 16.4165 53.5783 in (null):D-9999 (20) other bump:2.46917 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and CA(153) at 9.254 16.69 54.888 in (null):D-9999 (20) other bump:2.04839 Ang ND2(140) at 7.70851 17.7213 53.2618 in (null):N-9999 (18) and N(152) at 7.848 16.35 54.777 in (null):D-9999 (20) T0136 79 :GYDVRDVIAKIVDWG 1az1 137 :ILDTWAAMEELVDEG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.10122 Ang CD2(11) at 4.67759 42.8233 52.6221 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) other bump:2.53919 Ang CE2(13) at 5.69132 43.7663 52.7066 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) Number of specific fragments= 2 total=656 Number of alignments=211 # Reading fragments from alignment file # T0136 read from T0136-1az1-vit-adpstyle5.pw.a2m.gz # 1az1 read from T0136-1az1-vit-adpstyle5.pw.a2m.gz # found chain 1az1 in template set T0136 40 :KLLSFLPQNNTEEASFVNPNNDVSPNTELRDIVPIDGK 1az1 99 :LKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTN Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.88184 Ang CE2(127) at 6.3116 33.0991 52.5874 in (null):F-9999 (16) and O(297) at 4.932 35.413 51.564 in (null):K-9999 (38) other bump:2.68965 Ang CG2(274) at 5.25108 28.8694 48.7707 in (null):I-9999 (35) and N(286) at 5.145 31.201 47.434 in (null):G-9999 (37) other bump:2.50778 Ang O(136) at 6.956 25.121 51.174 in (null):V-9999 (17) and CD1(275) at 6.07095 27.4557 51.4079 in (null):I-9999 (35) other bump:2.76613 Ang CB(122) at 7.61833 29.7483 51.3757 in (null):F-9999 (16) and CD1(275) at 6.07095 27.4557 51.4079 in (null):I-9999 (35) other bump:2.2849 Ang O(136) at 6.956 25.121 51.174 in (null):V-9999 (17) and CG1(273) at 6.43636 27.0249 50.0225 in (null):I-9999 (35) other bump:2.73098 Ang C(137) at 7.994 24.85 50.572 in (null):V-9999 (17) and CG1(273) at 6.43636 27.0249 50.0225 in (null):I-9999 (35) other bump:3.13434 Ang N(131) at 9.072 26.754 51.697 in (null):V-9999 (17) and CG1(273) at 6.43636 27.0249 50.0225 in (null):I-9999 (35) other bump:3.03945 Ang CB(122) at 7.61833 29.7483 51.3757 in (null):F-9999 (16) and CB(272) at 6.57827 28.1436 49.0131 in (null):I-9999 (35) neighbor-bump: 2.97856 Ang CD(216) at 15.903 15.843 39.15 in (null):E-9999 (28) and CG(224) at 18.4862 17.2586 39.5913 in (null):L-9999 (29) neighbor-bump: 2.42729 Ang OE2(218) at 16.094 17.08 39.221 in (null):E-9999 (28) and CG(224) at 18.4862 17.2586 39.5913 in (null):L-9999 (29) other bump:2.68733 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and C(176) at 9.42 18.149 55.289 in (null):D-9999 (22) other bump:2.24223 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and O(175) at 8.9 19.043 54.626 in (null):D-9999 (22) other bump:2.632 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and CB(171) at 9.97226 16.4165 53.5783 in (null):D-9999 (22) other bump:2.46917 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and CA(170) at 9.254 16.69 54.888 in (null):D-9999 (22) other bump:2.04839 Ang ND2(157) at 7.70851 17.7213 53.2618 in (null):N-9999 (20) and N(169) at 7.848 16.35 54.777 in (null):D-9999 (22) other bump:1.56813 Ang NZ(8) at 3.01813 27.9477 72.3896 in (null):K-9999 (1) and CD2(49) at 2.551 29.237 71.629 in (null):L-9999 (6) T0136 79 :GYDVRDVIAKIVDWG 1az1 137 :ILDTWAAMEELVDEG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.10122 Ang CD2(11) at 4.67759 42.8233 52.6221 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) other bump:2.53919 Ang CE2(13) at 5.69132 43.7663 52.7066 in (null):Y-9999 (2) and NH1(40) at 4.66136 42.5961 54.7109 in (null):R-9999 (5) Number of specific fragments= 2 total=658 Number of alignments=212 # command:# Prefix for input files set to # command:CPU_time= 50950 msec, elapsed time= 53540.9 msec) # command:# Will now start reporting costs to decoys/undertaker-try1.rdb # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.4*length and merging fragments shorter than 5 # Each alignment is added to initial conformation # best score in alignment pool out of 213: T0136.rand+T0136-1llp-local-adpstyle1.pw.a2m.gz:1llp at pool[102] 83.4659 cost/residue, 268 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.4*length and merging fragments shorter than 5 # Each alignment is added to result of previous insertion # best score in alignment pool out of 213: T0136.rand+T0136-1llp-local-ad...+T0136-1dguA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1dguA at pool[161] 78.8059 cost/residue, 206 clashes 0.133105 breaks # command:# naming current conformation T0136.try1-al2 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 213: T0136.try1-al2+T0136-1dguA-local-adpstyle5.pw.a2m.gz:1dguA at pool[80] 77.7023 cost/residue, 226 clashes 0.133109 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to result of previous insertion # best score in alignment pool out of 213: T0136.try1-al2+T0136-1dguA-loc...+T0136-2e2c-simpleSW-adpstyle5.pw.a2m.gz:2e2c at pool[6] 77.5941 cost/residue, 239 clashes 0.0696739 breaks # command:# naming current conformation T0136.try1-al4 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.3*length and merging fragments shorter than 4 # Each alignment is added to initial conformation # best score in alignment pool out of 213: T0136.try1-al4+1fchA-T0136-local-adpstyle5.pw.a2m.gz:1fchA at pool[87] 75.3202 cost/residue, 278 clashes 0.0696739 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.3*length and merging fragments shorter than 4 # Each alignment is added to result of previous insertion # best score in alignment pool out of 213: T0136.try1-al4+1fchA-T0136-local-adpstyle5.pw.a2m.gz:1fchA 75.3202 cost/residue, 278 clashes 0.0696739 breaks # command:# naming current conformation T0136.try1-al6 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.1*length and merging fragments shorter than 2 # Each alignment is added to initial conformation # best score in alignment pool out of 213: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA at pool[81] 74.5364 cost/residue, 298 clashes 0.0696739 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.1*length and merging fragments shorter than 2 # Each alignment is added to result of previous insertion # best score in alignment pool out of 213: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 74.5364 cost/residue, 298 clashes 0.0696739 breaks # command:# naming current conformation T0136.try1-al8 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.2*length and merging fragments shorter than 3 # Each alignment is added to initial conformation # best score in alignment pool out of 213: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[121] 74.5138 cost/residue, 297 clashes 0.0696739 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0.2*length and merging fragments shorter than 3 # Each alignment is added to result of previous insertion # best score in alignment pool out of 213: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 74.5138 cost/residue, 297 clashes 0.0696739 breaks # command:# naming current conformation T0136.try1-al10 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 213: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[72] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will try all 212 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to result of previous insertion # best score in alignment pool out of 213: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 74.5062 cost/residue, 296 clashes 0.0696739 breaks # command:# naming current conformation T0136.try1-al12 # command:# command:# CostConform T0136.try1-al12 costs 74.5062 T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA costs 74.5062 T0136.try1-al10 costs 74.5138 T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA costs 74.5138 T0136.try1-al8 costs 74.5364 T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA costs 74.5364 T0136.try1-al6 costs 75.3202 T0136.try1-al4+1fchA-T0136-local-adpstyle5.pw.a2m.gz:1fchA costs 75.3202 T0136.try1-al4 costs 77.5941 T0136.try1-al2+T0136-1dguA-local-adpstyle5.pw.a2m.gz:1dguA costs 77.7023 T0136.try1-al2 costs 78.8059 T0136.rand+T0136-1llp-local-adpstyle1.pw.a2m.gz:1llp costs 83.4659 T0136.rand costs 89.5767 # command:CPU_time= 196330 msec, elapsed time= 199025 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0136 read from T0136.t2k.frag # 1danH.1.0 read from T0136.t2k.frag # adding 1danH to template set 1danH:# found chain 1danH in template set T0136 1 :VTGEDVTAD 1danH 16 :IVGGKVCPK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.21687 Ang CG1(3) at 20.15 6.557 15.809 in (null):V-9999 (0) and OE2(24) at 19.9009 6.01395 16.8691 in (null):E-9999 (3) other bump:1.03744 Ang CB(2) at 20.259 5.149 16.422 in (null):V-9999 (0) and OE2(24) at 19.9009 6.01395 16.8691 in (null):E-9999 (3) other bump:1.36706 Ang CG2(4) at 20.087 5.181 17.937 in (null):V-9999 (0) and OE2(24) at 19.9009 6.01395 16.8691 in (null):E-9999 (3) other bump:2.44298 Ang CA(1) at 21.618 4.483 16.047 in (null):V-9999 (0) and OE2(24) at 19.9009 6.01395 16.8691 in (null):E-9999 (3) other bump:2.63431 Ang CG2(4) at 20.087 5.181 17.937 in (null):V-9999 (0) and OE1(23) at 17.7567 6.25654 17.3434 in (null):E-9999 (3) other bump:2.3128 Ang CG1(3) at 20.15 6.557 15.809 in (null):V-9999 (0) and CD(22) at 18.9155 5.86872 17.6397 in (null):E-9999 (3) other bump:1.95082 Ang CB(2) at 20.259 5.149 16.422 in (null):V-9999 (0) and CD(22) at 18.9155 5.86872 17.6397 in (null):E-9999 (3) other bump:1.3906 Ang CG2(4) at 20.087 5.181 17.937 in (null):V-9999 (0) and CD(22) at 18.9155 5.86872 17.6397 in (null):E-9999 (3) other bump:2.80455 Ang CB(2) at 20.259 5.149 16.422 in (null):V-9999 (0) and CG(21) at 19.1289 5.19468 18.9884 in (null):E-9999 (3) other bump:1.42252 Ang CG2(4) at 20.087 5.181 17.937 in (null):V-9999 (0) and CG(21) at 19.1289 5.19468 18.9884 in (null):E-9999 (3) other bump:2.66076 Ang CG2(4) at 20.087 5.181 17.937 in (null):V-9999 (0) and CB(20) at 18.0324 4.19119 19.3077 in (null):E-9999 (3) Number of specific fragments= 1 total=659 # 1danH.1.1 read from T0136.t2k.frag # found chain 1danH in template set T0136 1 :VTGEDVTAD 1danH 17 :VGGKVCPKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=660 # 1jjuA.1.0 read from T0136.t2k.frag # adding 1jjuA to template set 1jjuA:Skipped atom 1851, because occupancy 0.5 <= existing 0.500001 Skipped atom 2679, because occupancy 0.5 <= existing 0.500001 Skipped atom 2681, because occupancy 0.5 <= existing 0.500001 Skipped atom 2683, because occupancy 0.5 <= existing 0.500001 Skipped atom 2685, because occupancy 0.5 <= existing 0.500001 Skipped atom 2687, because occupancy 0.5 <= existing 0.500001 Skipped atom 2689, because occupancy 0.5 <= existing 0.500001 Skipped atom 2691, because occupancy 0.5 <= existing 0.500001 Skipped atom 2693, because occupancy 0.5 <= existing 0.500001 # found chain 1jjuA in template set T0136 1 :VTGEDVTAD 1jjuA 1 :VTGEEVLQN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=661 # 1rcy.1.0 read from T0136.t2k.frag # adding 1rcy to template set 1rcy:# found chain 1rcy in template set T0136 1 :VTGEDVTAD 1rcy 5 :TTWKEATLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=662 # 1jjuA.1.1 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 1 :VTGEDVTAD 1jjuA 2 :TGEEVLQNA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.76931 Ang CG1(3) at 98.0221 3.68587 48.1942 in (null):V-9999 (0) and CA(8) at 96.211 2.48 46.481 in (null):T-9999 (1) neighbor-bump: 2.36921 Ang CB(2) at 97.6317 4.23722 49.5532 in (null):V-9999 (0) and N(7) at 96.653 3.163 47.682 in (null):T-9999 (1) neighbor-bump: 1.55245 Ang CG1(3) at 98.0221 3.68587 48.1942 in (null):V-9999 (0) and N(7) at 96.653 3.163 47.682 in (null):T-9999 (1) self-bump: 2.19138 Ang CB(2) at 97.6317 4.23722 49.5532 in (null):V-9999 (0) and C(6) at 95.794 3.452 48.654 in (null):V-9999 (0) self-bump: 2.28703 Ang CG1(3) at 98.0221 3.68587 48.1942 in (null):V-9999 (0) and C(6) at 95.794 3.452 48.654 in (null):V-9999 (0) self-bump: 1.29349 Ang CA(1) at 96.381 4.168 49.876 in (null):V-9999 (0) and CB(2) at 97.6317 4.23722 49.5532 in (null):V-9999 (0) Number of specific fragments= 1 total=663 # 1rcy.1.1 read from T0136.t2k.frag # found chain 1rcy in template set T0136 1 :VTGEDVTAD 1rcy 6 :TWKEATLPQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.74302 Ang OD1(31) at -1.49556 -8.99336 30.7028 in (null):D-9999 (4) and OD2(59) at -1.19015 -10.1814 31.9411 in (null):D-9999 (8) other bump:2.12134 Ang OD1(31) at -1.49556 -8.99336 30.7028 in (null):D-9999 (4) and CG(57) at -0.702194 -10.9272 31.0644 in (null):D-9999 (8) other bump:2.62261 Ang OD2(32) at -2.9098 -9.2404 29.0342 in (null):D-9999 (4) and CB(56) at -0.638808 -10.4011 29.6453 in (null):D-9999 (8) other bump:2.40791 Ang CG(30) at -2.15107 -8.52908 29.727 in (null):D-9999 (4) and CB(56) at -0.638808 -10.4011 29.6453 in (null):D-9999 (8) other bump:1.95805 Ang OD1(31) at -1.49556 -8.99336 30.7028 in (null):D-9999 (4) and CB(56) at -0.638808 -10.4011 29.6453 in (null):D-9999 (8) Number of specific fragments= 1 total=664 # 1danH.2.2 read from T0136.t2k.frag # found chain 1danH in template set T0136 2 :TGEDVTADE 1danH 18 :GGKVCPKGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=665 # 1k3bA.2.2 read from T0136.t2k.frag # adding 1k3bA to template set 1k3bA:# found chain 1k3bA in template set T0136 2 :TGEDVTADE 1k3bA 3 :PANCTYLDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=666 # 1g71A.2.2 read from T0136.t2k.frag # adding 1g71A to template set 1g71A:# found chain 1g71A in template set T0136 2 :TGEDVTADE 1g71A 3 :MREVTKEER Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95367 Ang CG2(34) at 79.9193 -37.0715 28.2256 in (null):V-9999 (5) and OD1(53) at 77.2436 -35.8262 28.3462 in (null):D-9999 (8) other bump:2.7977 Ang CG2(34) at 79.9193 -37.0715 28.2256 in (null):V-9999 (5) and CG(52) at 77.8057 -35.7133 29.4565 in (null):D-9999 (8) other bump:2.78163 Ang CG2(34) at 79.9193 -37.0715 28.2256 in (null):V-9999 (5) and N(49) at 79.833 -34.421 27.386 in (null):D-9999 (8) Number of specific fragments= 1 total=667 # 1aoiF.2.2 read from T0136.t2k.frag # adding 1aoiF to template set 1aoiF:# found chain 1aoiF in template set T0136 2 :TGEDVTADE 1aoiF 18 :HRKVLRDNI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28847 Ang CG1(33) at 22.4693 94.366 -15.0669 in (null):V-9999 (5) and OD2(54) at 22.1564 96.1438 -13.6603 in (null):D-9999 (8) neighbor-bump: 2.51262 Ang O(35) at 23.573 94.844 -18.264 in (null):V-9999 (5) and CG2(40) at 23.8413 96.4305 -20.1939 in (null):T-9999 (6) neighbor-bump: 2.91432 Ang C(36) at 22.598 95.402 -17.767 in (null):V-9999 (5) and CG2(40) at 23.8413 96.4305 -20.1939 in (null):T-9999 (6) Number of specific fragments= 1 total=668 # 1gj7B.2.2 read from T0136.t2k.frag # adding 1gj7B to template set 1gj7B:Skipped atom 190, because occupancy 0.46 <= existing 0.680001 Skipped atom 192, because occupancy 0.46 <= existing 0.680001 Skipped atom 194, because occupancy 0.46 <= existing 0.680001 Skipped atom 196, because occupancy 0.46 <= existing 0.680001 Skipped atom 748, because occupancy 0.48 <= existing 0.570001 Skipped atom 750, because occupancy 0.48 <= existing 0.570001 Skipped atom 752, because occupancy 0.48 <= existing 0.570001 Skipped atom 1462, because occupancy 0.4 <= existing 0.530001 Skipped atom 1464, because occupancy 0.4 <= existing 0.530001 Skipped atom 1466, because occupancy 0.4 <= existing 0.530001 Skipped atom 1468, because occupancy 0.4 <= existing 0.530001 Skipped atom 1470, because occupancy 0.4 <= existing 0.530001 Skipped atom 3531, because occupancy 0.45 <= existing 0.660001 Skipped atom 3533, because occupancy 0.45 <= existing 0.660001 Skipped atom 3535, because occupancy 0.45 <= existing 0.660001 Skipped atom 3537, because occupancy 0.45 <= existing 0.660001 Skipped atom 3787, because occupancy 0.39 <= existing 0.640001 Skipped atom 3789, because occupancy 0.39 <= existing 0.640001 Skipped atom 3791, because occupancy 0.39 <= existing 0.640001 Skipped atom 3957, because occupancy 0.52 <= existing 0.620001 Skipped atom 3959, because occupancy 0.52 <= existing 0.620001 Skipped atom 3961, because occupancy 0.52 <= existing 0.620001 Skipped atom 3963, because occupancy 0.52 <= existing 0.620001 # found chain 1gj7B in template set T0136 2 :TGEDVTADE 1gj7B 18 :GGEFTTIEN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71172 Ang CG1(33) at 24.0623 -9.05886 23.1948 in (null):V-9999 (5) and OE1(62) at 25.6122 -10.7353 21.7316 in (null):E-9999 (9) other bump:2.71564 Ang CB(32) at 25.2746 -8.24933 22.7711 in (null):V-9999 (5) and OE1(62) at 25.6122 -10.7353 21.7316 in (null):E-9999 (9) neighbor-bump: 2.20456 Ang CG2(5) at 17.966 -9.51175 32.103 in (null):T-9999 (1) and N(9) at 17.922 -8.8 30.017 in (null):G-9999 (2) self-bump: 2.21198 Ang CB(4) at 16.8631 -8.48357 32.2626 in (null):T-9999 (1) and C(8) at 17.916 -7.615 30.522 in (null):T-9999 (1) self-bump: 1.22471 Ang CA(3) at 17.049 -7.403 31.717 in (null):T-9999 (1) and CB(4) at 16.8631 -8.48357 32.2626 in (null):T-9999 (1) Number of specific fragments= 1 total=669 # 1c5yB.2.2 read from T0136.t2k.frag # adding 1c5yB to template set 1c5yB:Skipped atom 2373, because occupancy 0.46 <= existing 0.490001 Skipped atom 2375, because occupancy 0.46 <= existing 0.490001 Skipped atom 2377, because occupancy 0.46 <= existing 0.490001 Skipped atom 3289, because occupancy 0.25 <= existing 0.680001 Skipped atom 3291, because occupancy 0.25 <= existing 0.680001 Skipped atom 3293, because occupancy 0.25 <= existing 0.680001 Skipped atom 3295, because occupancy 0.25 <= existing 0.680001 Skipped atom 3297, because occupancy 0.25 <= existing 0.680001 Skipped atom 3498, because occupancy 0.15 <= existing 0.630001 Skipped atom 3500, because occupancy 0.15 <= existing 0.630001 Skipped atom 3502, because occupancy 0.15 <= existing 0.630001 Skipped atom 3504, because occupancy 0.15 <= existing 0.630001 Skipped atom 3949, because occupancy 0.37 <= existing 0.920001 Skipped atom 3951, because occupancy 0.37 <= existing 0.920001 Skipped atom 3953, because occupancy 0.37 <= existing 0.920001 Skipped atom 3955, because occupancy 0.37 <= existing 0.920001 # found chain 1c5yB in template set T0136 2 :TGEDVTADE 1c5yB 18 :GGEFTTIEN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62451 Ang CG1(33) at 23.9956 -8.91843 23.1716 in (null):V-9999 (5) and OE1(62) at 25.5462 -10.5213 21.7879 in (null):E-9999 (9) other bump:2.62857 Ang CB(32) at 25.2324 -8.11805 22.8054 in (null):V-9999 (5) and OE1(62) at 25.5462 -10.5213 21.7879 in (null):E-9999 (9) neighbor-bump: 2.20316 Ang CG2(5) at 17.9179 -9.59897 32.0213 in (null):T-9999 (1) and N(9) at 17.88 -8.852 29.949 in (null):G-9999 (2) self-bump: 2.20559 Ang CB(4) at 16.7811 -8.61321 32.2083 in (null):T-9999 (1) and C(8) at 17.796 -7.676 30.489 in (null):T-9999 (1) self-bump: 2.21827 Ang CA(3) at 16.925 -7.525 31.691 in (null):T-9999 (1) and OG1(6) at 16.4749 -8.51126 33.6263 in (null):T-9999 (1) self-bump: 1.21349 Ang CA(3) at 16.925 -7.525 31.691 in (null):T-9999 (1) and CB(4) at 16.7811 -8.61321 32.2083 in (null):T-9999 (1) Number of specific fragments= 1 total=670 # 1k3bA.3.3 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 3 :GEDVTADEL 1k3bA 4 :ANCTYLDLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=671 # 1danH.3.3 read from T0136.t2k.frag # found chain 1danH in template set T0136 3 :GEDVTADEL 1danH 19 :GKVCPKGEC Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7748 Ang CB(25) at 11.9646 9.29039 17.181 in (null):V-9999 (4) and CD1(63) at 12.8623 10.6396 16.4574 in (null):L-9999 (9) other bump:1.85928 Ang CG2(27) at 13.4201 9.31063 17.6319 in (null):V-9999 (4) and CD1(63) at 12.8623 10.6396 16.4574 in (null):L-9999 (9) other bump:1.88686 Ang CG1(26) at 11.2913 10.6229 17.5024 in (null):V-9999 (4) and CD1(63) at 12.8623 10.6396 16.4574 in (null):L-9999 (9) other bump:2.8627 Ang CB(25) at 11.9646 9.29039 17.181 in (null):V-9999 (4) and CG(62) at 12.5116 12.0755 16.8079 in (null):L-9999 (9) other bump:3.02469 Ang CG2(27) at 13.4201 9.31063 17.6319 in (null):V-9999 (4) and CG(62) at 12.5116 12.0755 16.8079 in (null):L-9999 (9) other bump:2.02021 Ang CG1(26) at 11.2913 10.6229 17.5024 in (null):V-9999 (4) and CG(62) at 12.5116 12.0755 16.8079 in (null):L-9999 (9) other bump:3.03359 Ang CG1(26) at 11.2913 10.6229 17.5024 in (null):V-9999 (4) and CB(61) at 12.0446 12.8192 15.5501 in (null):L-9999 (9) Number of specific fragments= 1 total=672 # 1aoiF.3.3 read from T0136.t2k.frag # found chain 1aoiF in template set T0136 3 :GEDVTADEL 1aoiF 19 :RKVLRDNIQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28847 Ang CG1(26) at 22.4693 94.366 -15.0669 in (null):V-9999 (4) and OD2(47) at 22.1564 96.1438 -13.6603 in (null):D-9999 (7) neighbor-bump: 2.51262 Ang O(28) at 23.573 94.844 -18.264 in (null):V-9999 (4) and CG2(33) at 23.8413 96.4305 -20.1939 in (null):T-9999 (5) neighbor-bump: 2.91432 Ang C(29) at 22.598 95.402 -17.767 in (null):V-9999 (4) and CG2(33) at 23.8413 96.4305 -20.1939 in (null):T-9999 (5) Number of specific fragments= 1 total=673 # 1bno.3.3 read from T0136.t2k.frag # adding 1bno to template set 1bno:# found chain 1bno in template set T0136 3 :GEDVTADEL 1bno 4 :RKAPQETLN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(60) at 76.048 1.116 8.339 in (null):L-9999 (9) and CB(61) at 75.6043 1.94901 9.36769 in (null):L-9999 (9) self-bump: 1.28803 Ang CA(51) at 79.827 0.69 7.855 in (null):E-9999 (8) and CB(52) at 80.3434 1.80638 8.23709 in (null):E-9999 (8) other bump:2.59361 Ang CG2(27) at 82.8863 -2.34935 5.00707 in (null):V-9999 (4) and CA(43) at 80.329 -2.227 5.422 in (null):D-9999 (7) other bump:2.62602 Ang CG2(27) at 82.8863 -2.34935 5.00707 in (null):V-9999 (4) and N(42) at 80.717 -3.649 5.715 in (null):D-9999 (7) Number of specific fragments= 1 total=674 # 1g2nA.3.3 read from T0136.t2k.frag # adding 1g2nA to template set 1g2nA:Skipped atom 254, because occupancy 0.5 <= existing 0.500001 Skipped atom 256, because occupancy 0.5 <= existing 0.500001 Skipped atom 258, because occupancy 0.5 <= existing 0.500001 Skipped atom 260, because occupancy 0.5 <= existing 0.500001 Skipped atom 262, because occupancy 0.5 <= existing 0.500001 Skipped atom 264, because occupancy 0.5 <= existing 0.500001 Skipped atom 345, because occupancy 0.5 <= existing 0.500001 Skipped atom 347, because occupancy 0.5 <= existing 0.500001 Skipped atom 349, because occupancy 0.5 <= existing 0.500001 Skipped atom 351, because occupancy 0.5 <= existing 0.500001 Skipped atom 353, because occupancy 0.5 <= existing 0.500001 Skipped atom 355, because occupancy 0.5 <= existing 0.500001 Skipped atom 538, because occupancy 0.5 <= existing 0.500001 Skipped atom 540, because occupancy 0.5 <= existing 0.500001 Skipped atom 542, because occupancy 0.5 <= existing 0.500001 Skipped atom 544, because occupancy 0.5 <= existing 0.500001 Skipped atom 546, because occupancy 0.5 <= existing 0.500001 Skipped atom 548, because occupancy 0.5 <= existing 0.500001 Skipped atom 845, because occupancy 0.5 <= existing 0.500001 Skipped atom 847, because occupancy 0.5 <= existing 0.500001 Skipped atom 849, because occupancy 0.5 <= existing 0.500001 Skipped atom 851, because occupancy 0.5 <= existing 0.500001 Skipped atom 853, because occupancy 0.5 <= existing 0.500001 Skipped atom 855, because occupancy 0.5 <= existing 0.500001 Skipped atom 857, because occupancy 0.5 <= existing 0.500001 Skipped atom 1024, because occupancy 0.5 <= existing 0.500001 Skipped atom 1026, because occupancy 0.5 <= existing 0.500001 Skipped atom 1028, because occupancy 0.5 <= existing 0.500001 Skipped atom 1030, because occupancy 0.5 <= existing 0.500001 Skipped atom 1032, because occupancy 0.5 <= existing 0.500001 Skipped atom 1034, because occupancy 0.5 <= existing 0.500001 Skipped atom 1036, because occupancy 0.5 <= existing 0.500001 Skipped atom 1038, because occupancy 0.5 <= existing 0.500001 Skipped atom 1040, because occupancy 0.5 <= existing 0.500001 Skipped atom 1118, because occupancy 0.5 <= existing 0.500001 Skipped atom 1120, because occupancy 0.5 <= existing 0.500001 Skipped atom 1122, because occupancy 0.5 <= existing 0.500001 Skipped atom 1124, because occupancy 0.5 <= existing 0.500001 Skipped atom 1126, because occupancy 0.5 <= existing 0.500001 Skipped atom 1128, because occupancy 0.5 <= existing 0.500001 Skipped atom 1436, because occupancy 0.5 <= existing 0.500001 Skipped atom 1438, because occupancy 0.5 <= existing 0.500001 Skipped atom 1440, because occupancy 0.5 <= existing 0.500001 Skipped atom 1442, because occupancy 0.5 <= existing 0.500001 Skipped atom 1444, because occupancy 0.5 <= existing 0.500001 Skipped atom 1446, because occupancy 0.5 <= existing 0.500001 Skipped atom 1448, because occupancy 0.5 <= existing 0.500001 Skipped atom 1450, because occupancy 0.5 <= existing 0.500001 Skipped atom 1452, because occupancy 0.5 <= existing 0.500001 Skipped atom 1454, because occupancy 0.5 <= existing 0.500001 Skipped atom 1456, because occupancy 0.5 <= existing 0.500001 Skipped atom 1768, because occupancy 0.5 <= existing 0.500001 Skipped atom 1770, because occupancy 0.5 <= existing 0.500001 Skipped atom 1772, because occupancy 0.5 <= existing 0.500001 Skipped atom 1774, because occupancy 0.5 <= existing 0.500001 Skipped atom 1776, because occupancy 0.5 <= existing 0.500001 Skipped atom 1778, because occupancy 0.5 <= existing 0.500001 # found chain 1g2nA in template set T0136 3 :GEDVTADEL 1g2nA 206 :QELSIERLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=675 # 1avgI.3.3 read from T0136.t2k.frag # adding 1avgI to template set 1avgI:# found chain 1avgI in template set T0136 3 :GEDVTADEL 1avgI 4 :DDCSIEKAM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=676 # 1k3bA.4.4 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 4 :EDVTADELG 1k3bA 5 :NCTYLDLLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=677 # 1avgI.4.4 read from T0136.t2k.frag # found chain 1avgI in template set T0136 4 :EDVTADELG 1avgI 5 :DCSIEKAMG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=678 # 1bno.4.4 read from T0136.t2k.frag # found chain 1bno in template set T0136 4 :EDVTADELG 1bno 5 :KAPQETLNG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(56) at 76.048 1.116 8.339 in (null):L-9999 (8) and CB(57) at 75.6043 1.949 9.36769 in (null):L-9999 (8) self-bump: 1.28803 Ang CA(47) at 79.827 0.69 7.855 in (null):E-9999 (7) and CB(48) at 80.3434 1.80638 8.23709 in (null):E-9999 (7) other bump:2.59361 Ang CG2(23) at 82.8863 -2.34935 5.00707 in (null):V-9999 (3) and CA(39) at 80.329 -2.227 5.422 in (null):D-9999 (6) other bump:2.62602 Ang CG2(23) at 82.8863 -2.34935 5.00707 in (null):V-9999 (3) and N(38) at 80.717 -3.649 5.715 in (null):D-9999 (6) Number of specific fragments= 1 total=679 # 1aoiF.4.4 read from T0136.t2k.frag # found chain 1aoiF in template set T0136 4 :EDVTADELG 1aoiF 20 :KVLRDNIQG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2885 Ang CG1(22) at 22.4694 94.366 -15.0669 in (null):V-9999 (3) and OD2(43) at 22.1564 96.1438 -13.6603 in (null):D-9999 (6) neighbor-bump: 2.51262 Ang O(24) at 23.573 94.844 -18.264 in (null):V-9999 (3) and CG2(29) at 23.8413 96.4305 -20.1939 in (null):T-9999 (4) neighbor-bump: 2.91431 Ang C(25) at 22.598 95.402 -17.767 in (null):V-9999 (3) and CG2(29) at 23.8413 96.4305 -20.1939 in (null):T-9999 (4) Number of specific fragments= 1 total=680 # 1dfd.4.4 read from T0136.t2k.frag # adding 1dfd to template set 1dfd:# found chain 1dfd in template set T0136 4 :EDVTADELG 1dfd 5 :YVDQDECIA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87629 Ang CG(14) at 3.6287 0.106268 1.54902 in (null):D-9999 (2) and OE2(52) at 4.97212 -2.42676 1.3209 in (null):E-9999 (7) other bump:2.48557 Ang OD2(16) at 4.5008 -0.0751627 0.668271 in (null):D-9999 (2) and OE2(52) at 4.97212 -2.42676 1.3209 in (null):E-9999 (7) other bump:2.82102 Ang CA(27) at 7.62 0.552 0.005 in (null):T-9999 (4) and CG(49) at 6.64431 -2.07684 -0.303878 in (null):E-9999 (7) Number of specific fragments= 1 total=681 # 1opd.4.4 read from T0136.t2k.frag # adding 1opd to template set 1opd:# found chain 1opd in template set T0136 4 :EDVTADELG 1opd 5 :EVTITAPNG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87252 Ang OD2(43) at -9.55791 0.365719 7.18383 in (null):D-9999 (6) and C(66) at -7.573 -1.342 8.365 in (null):G-9999 (9) other bump:2.04383 Ang OD2(43) at -9.55791 0.365719 7.18383 in (null):D-9999 (6) and O(65) at -8.682 -1.374 7.803 in (null):G-9999 (9) neighbor-bump: 2.68559 Ang C(54) at -11.33 0.065 11.379 in (null):E-9999 (7) and CB(57) at -11.6389 -2.60276 11.3861 in (null):L-9999 (8) Number of specific fragments= 1 total=682 # 1k3bA.5.5 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 5 :DVTADELGG 1k3bA 6 :CTYLDLLGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=683 # 1avgI.5.5 read from T0136.t2k.frag # found chain 1avgI in template set T0136 5 :DVTADELGG 1avgI 6 :CSIEKAMGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=684 # 1bno.5.5 read from T0136.t2k.frag # found chain 1bno in template set T0136 5 :DVTADELGG 1bno 6 :APQETLNGG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(47) at 76.048 1.116 8.339 in (null):L-9999 (7) and CB(48) at 75.6043 1.949 9.36769 in (null):L-9999 (7) self-bump: 1.28803 Ang CA(38) at 79.827 0.69 7.855 in (null):E-9999 (6) and CB(39) at 80.3434 1.80638 8.23709 in (null):E-9999 (6) other bump:2.59362 Ang CG2(14) at 82.8863 -2.34935 5.00707 in (null):V-9999 (2) and CA(30) at 80.329 -2.227 5.422 in (null):D-9999 (5) other bump:2.62604 Ang CG2(14) at 82.8863 -2.34935 5.00707 in (null):V-9999 (2) and N(29) at 80.717 -3.649 5.715 in (null):D-9999 (5) Number of specific fragments= 1 total=685 # 1dfd.5.5 read from T0136.t2k.frag # found chain 1dfd in template set T0136 5 :DVTADELGG 1dfd 6 :VDQDECIAC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82102 Ang CA(18) at 7.62 0.552 0.005 in (null):T-9999 (3) and CG(40) at 6.64431 -2.07684 -0.303878 in (null):E-9999 (6) Number of specific fragments= 1 total=686 # 1b2sD.5.5 read from T0136.t2k.frag # adding 1b2sD to template set 1b2sD:# found chain 1b2sD in template set T0136 5 :DVTADELGG 1b2sD 6 :INGEQIRSI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95024 Ang OE1(42) at 37.5077 27.6558 -1.52768 in (null):E-9999 (6) and C(57) at 34.809 27.183 -2.622 in (null):G-9999 (8) other bump:2.73502 Ang CD(41) at 38.3088 28.5987 -1.62319 in (null):E-9999 (6) and O(56) at 35.745 27.71 -1.966 in (null):G-9999 (8) other bump:1.81717 Ang OE1(42) at 37.5077 27.6558 -1.52768 in (null):E-9999 (6) and O(56) at 35.745 27.71 -1.966 in (null):G-9999 (8) Number of specific fragments= 1 total=687 # 1dk0A.5.4 read from T0136.t2k.frag # adding 1dk0A to template set 1dk0A:# found chain 1dk0A in template set T0136 5 :DVTADELGG 1dk0A 5 :VNYDSSFGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0205 Ang CB(26) at -16.125 -11.004 15.03 in (null):A-9999 (4) and CD(41) at -16.4804 -13.8182 16.0679 in (null):E-9999 (6) Number of specific fragments= 1 total=688 # 1avgI.6.6 read from T0136.t2k.frag # found chain 1avgI in template set T0136 6 :VTADELGGA 1avgI 7 :SIEKAMGDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=689 # 1k3bA.6.6 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 6 :VTADELGGA 1k3bA 7 :TYLDLLGTW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=690 # 1bno.6.6 read from T0136.t2k.frag # found chain 1bno in template set T0136 6 :VTADELGGA 1bno 7 :PQETLNGGI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(39) at 76.048 1.116 8.339 in (null):L-9999 (6) and CB(40) at 75.6043 1.949 9.36769 in (null):L-9999 (6) self-bump: 1.28803 Ang CA(30) at 79.827 0.69 7.855 in (null):E-9999 (5) and CB(31) at 80.3434 1.80638 8.23709 in (null):E-9999 (5) other bump:2.59361 Ang CG2(6) at 82.8863 -2.34935 5.00706 in (null):V-9999 (1) and CA(22) at 80.329 -2.227 5.422 in (null):D-9999 (4) other bump:2.62603 Ang CG2(6) at 82.8863 -2.34935 5.00706 in (null):V-9999 (1) and N(21) at 80.717 -3.649 5.715 in (null):D-9999 (4) Number of specific fragments= 1 total=691 # 1b2sD.6.6 read from T0136.t2k.frag # found chain 1b2sD in template set T0136 6 :VTADELGGA 1b2sD 7 :NGEQIRSIS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86978 Ang OE1(34) at 37.5077 27.6558 -1.52768 in (null):E-9999 (5) and CA(60) at 37.079 27.153 1.265 in (null):G-9999 (10) other bump:2.95024 Ang OE1(34) at 37.5077 27.6558 -1.52768 in (null):E-9999 (5) and C(49) at 34.809 27.183 -2.622 in (null):G-9999 (7) other bump:2.73502 Ang CD(33) at 38.3088 28.5987 -1.62319 in (null):E-9999 (5) and O(48) at 35.745 27.71 -1.966 in (null):G-9999 (7) other bump:1.81717 Ang OE1(34) at 37.5077 27.6558 -1.52768 in (null):E-9999 (5) and O(48) at 35.745 27.71 -1.966 in (null):G-9999 (7) Number of specific fragments= 1 total=692 # 1dk0A.6.5 read from T0136.t2k.frag # found chain 1dk0A in template set T0136 6 :VTADELGGA 1dk0A 6 :NYDSSFGGY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0205 Ang CB(18) at -16.125 -11.004 15.03 in (null):A-9999 (3) and CD(33) at -16.4804 -13.8182 16.0679 in (null):E-9999 (5) Number of specific fragments= 1 total=693 # 1b2vA.6.5 read from T0136.t2k.frag # adding 1b2vA to template set 1b2vA:Skipped atom 271, because occupancy 0.5 <= existing 0.500001 Skipped atom 273, because occupancy 0.5 <= existing 0.500001 Skipped atom 275, because occupancy 0.5 <= existing 0.500001 Skipped atom 467, because occupancy 0.5 <= existing 0.500001 Skipped atom 469, because occupancy 0.5 <= existing 0.500001 # found chain 1b2vA in template set T0136 6 :VTADELGGA 1b2vA 6 :NYDSSFGGY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75989 Ang CB(18) at 24.931 -8.396 27.152 in (null):A-9999 (3) and OE2(35) at 23.2078 -8.28985 29.3052 in (null):E-9999 (5) other bump:2.99317 Ang CB(18) at 24.931 -8.396 27.152 in (null):A-9999 (3) and CD(33) at 23.5813 -9.44423 29.6094 in (null):E-9999 (5) Number of specific fragments= 1 total=694 # 1avgI.7.7 read from T0136.t2k.frag # found chain 1avgI in template set T0136 7 :TADELGGAE 1avgI 8 :IEKAMGDFK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=695 # 1k3bA.7.7 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 7 :TADELGGAE 1k3bA 8 :YLDLLGTWV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=696 # 1bno.7.7 read from T0136.t2k.frag # found chain 1bno in template set T0136 7 :TADELGGAE 1bno 8 :QETLNGGIT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(32) at 76.048 1.116 8.339 in (null):L-9999 (5) and CB(33) at 75.6043 1.949 9.36769 in (null):L-9999 (5) self-bump: 1.28803 Ang CA(23) at 79.827 0.69 7.855 in (null):E-9999 (4) and CB(24) at 80.3434 1.80638 8.23709 in (null):E-9999 (4) Number of specific fragments= 1 total=697 # 1d9nA.7.7 read from T0136.t2k.frag # adding 1d9nA to template set 1d9nA:# found chain 1d9nA in template set T0136 7 :TADELGGAE 1d9nA 8 :CPALGPGWK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86228 Ang OG1(6) at 62.5451 1.68423 5.73197 in (null):T-9999 (1) and CA(62) at 60.244 -0.01 5.567 in (null):G-9999 (10) other bump:2.30276 Ang OG1(6) at 62.5451 1.68423 5.73197 in (null):T-9999 (1) and N(61) at 60.554 0.97 6.642 in (null):G-9999 (10) other bump:2.59373 Ang OG1(6) at 62.5451 1.68423 5.73197 in (null):T-9999 (1) and C(60) at 60.134 2.2 6.537 in (null):E-9999 (9) other bump:2.38837 Ang O(7) at 66.858 1.426 6.272 in (null):T-9999 (1) and O(37) at 66.841 3.63 7.192 in (null):L-9999 (5) neighbor-bump: 2.61005 Ang C(30) at 68.668 3.858 3.639 in (null):E-9999 (4) and CG(34) at 71.0502 4.11694 4.67361 in (null):L-9999 (5) neighbor-bump: 1.7068 Ang O(29) at 69.758 4.392 3.593 in (null):E-9999 (4) and CG(34) at 71.0502 4.11694 4.67361 in (null):L-9999 (5) neighbor-bump: 2.26285 Ang O(29) at 69.758 4.392 3.593 in (null):E-9999 (4) and CB(33) at 70.1255 4.55727 5.81969 in (null):L-9999 (5) Number of specific fragments= 1 total=698 # 1dk0A.7.6 read from T0136.t2k.frag # found chain 1dk0A in template set T0136 7 :TADELGGAE 1dk0A 7 :YDSSFGGYS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0205 Ang CB(11) at -16.125 -11.004 15.03 in (null):A-9999 (2) and CD(26) at -16.4804 -13.8182 16.0679 in (null):E-9999 (4) Number of specific fragments= 1 total=699 # 1b2vA.7.6 read from T0136.t2k.frag # found chain 1b2vA in template set T0136 7 :TADELGGAE 1b2vA 7 :YDSSFGGYS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75989 Ang CB(11) at 24.931 -8.396 27.152 in (null):A-9999 (2) and OE2(28) at 23.2078 -8.28985 29.3052 in (null):E-9999 (4) other bump:2.99317 Ang CB(11) at 24.931 -8.396 27.152 in (null):A-9999 (2) and CD(26) at 23.5813 -9.44423 29.6094 in (null):E-9999 (4) Number of specific fragments= 1 total=700 # 1avgI.8.8 read from T0136.t2k.frag # found chain 1avgI in template set T0136 8 :ADELGGAEA 1avgI 9 :EKAMGDFKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=701 # 1k3bA.8.8 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 8 :ADELGGAEA 1k3bA 9 :LDLLGTWVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=702 # 1bno.8.8 read from T0136.t2k.frag # found chain 1bno in template set T0136 8 :ADELGGAEA 1bno 9 :ETLNGGITD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(25) at 76.048 1.116 8.339 in (null):L-9999 (4) and CB(26) at 75.6043 1.949 9.36769 in (null):L-9999 (4) self-bump: 1.28803 Ang CA(16) at 79.827 0.69 7.855 in (null):E-9999 (3) and CB(17) at 80.3434 1.80638 8.23709 in (null):E-9999 (3) Number of specific fragments= 1 total=703 # 1dk0A.8.7 read from T0136.t2k.frag # found chain 1dk0A in template set T0136 8 :ADELGGAEA 1dk0A 8 :DSSFGGYSI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0205 Ang CB(4) at -16.125 -11.004 15.03 in (null):A-9999 (1) and CD(19) at -16.4804 -13.8182 16.0679 in (null):E-9999 (3) Number of specific fragments= 1 total=704 # 1b2vA.8.7 read from T0136.t2k.frag # found chain 1b2vA in template set T0136 8 :ADELGGAEA 1b2vA 8 :DSSFGGYSI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75989 Ang CB(4) at 24.931 -8.396 27.152 in (null):A-9999 (1) and OE2(21) at 23.2078 -8.28985 29.3052 in (null):E-9999 (3) other bump:2.99317 Ang CB(4) at 24.931 -8.396 27.152 in (null):A-9999 (1) and CD(19) at 23.5813 -9.44423 29.6094 in (null):E-9999 (3) Number of specific fragments= 1 total=705 # 1d9nA.8.8 read from T0136.t2k.frag # found chain 1d9nA in template set T0136 8 :ADELGGAEA 1d9nA 9 :PALGPGWKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38837 Ang O(0) at 66.858 1.426 6.272 in (null):G-9999 (0) and O(30) at 66.841 3.63 7.192 in (null):L-9999 (4) neighbor-bump: 2.61005 Ang C(23) at 68.668 3.858 3.639 in (null):E-9999 (3) and CG(27) at 71.0502 4.11694 4.67361 in (null):L-9999 (4) neighbor-bump: 1.7068 Ang O(22) at 69.758 4.392 3.593 in (null):E-9999 (3) and CG(27) at 71.0502 4.11694 4.67361 in (null):L-9999 (4) neighbor-bump: 2.26285 Ang O(22) at 69.758 4.392 3.593 in (null):E-9999 (3) and CB(26) at 70.1255 4.55727 5.81969 in (null):L-9999 (4) Number of specific fragments= 1 total=706 # 1avgI.9.9 read from T0136.t2k.frag # found chain 1avgI in template set T0136 9 :DELGGAEAH 1avgI 10 :KAMGDFKPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=707 # 1k3bA.9.9 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 9 :DELGGAEAH 1k3bA 10 :DLLGTWVFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=708 # 1bno.9.9 read from T0136.t2k.frag # found chain 1bno in template set T0136 9 :DELGGAEAH 1bno 10 :TLNGGITDM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(20) at 76.048 1.116 8.339 in (null):L-9999 (3) and CB(21) at 75.6043 1.949 9.36769 in (null):L-9999 (3) self-bump: 1.28803 Ang CA(11) at 79.827 0.69 7.855 in (null):E-9999 (2) and CB(12) at 80.3435 1.80638 8.23709 in (null):E-9999 (2) Number of specific fragments= 1 total=709 # 1dk0A.9.8 read from T0136.t2k.frag # found chain 1dk0A in template set T0136 9 :DELGGAEAH 1dk0A 9 :SSFGGYSIH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=710 # 1b2vA.9.8 read from T0136.t2k.frag # found chain 1b2vA in template set T0136 9 :DELGGAEAH 1b2vA 9 :SSFGGYSIH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=711 # 1d9nA.9.9 read from T0136.t2k.frag # found chain 1d9nA in template set T0136 9 :DELGGAEAH 1d9nA 10 :ALGPGWKRR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.7068 Ang O(17) at 69.758 4.392 3.593 in (null):E-9999 (2) and CG(22) at 71.0502 4.11693 4.67361 in (null):L-9999 (3) neighbor-bump: 2.61005 Ang C(18) at 68.668 3.858 3.639 in (null):E-9999 (2) and CG(22) at 71.0502 4.11693 4.67361 in (null):L-9999 (3) neighbor-bump: 2.26285 Ang O(17) at 69.758 4.392 3.593 in (null):E-9999 (2) and CB(21) at 70.1255 4.55726 5.81968 in (null):L-9999 (3) Number of specific fragments= 1 total=712 # 1avgI.10.10 read from T0136.t2k.frag # found chain 1avgI in template set T0136 10 :ELGGAEAHM 1avgI 11 :AMGDFKPEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=713 # 1k3bA.10.10 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 10 :ELGGAEAHM 1k3bA 11 :LLGTWVFQV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67324 Ang CD(36) at 62.3806 21.3387 21.1896 in (null):E-9999 (6) and NE2(53) at 61.6095 21.4313 23.7476 in (null):H-9999 (8) other bump:2.316 Ang OE2(38) at 63.3099 20.7153 21.7441 in (null):E-9999 (6) and CE1(52) at 62.373 20.3573 23.8317 in (null):H-9999 (8) Number of specific fragments= 1 total=714 # 1bno.10.10 read from T0136.t2k.frag # found chain 1bno in template set T0136 10 :ELGGAEAHM 1bno 11 :LNGGITDML Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(12) at 76.048 1.116 8.339 in (null):L-9999 (2) and CB(13) at 75.6043 1.949 9.36769 in (null):L-9999 (2) self-bump: 1.34956 Ang CA(3) at 79.827 0.69 7.855 in (null):E-9999 (1) and CB(4) at 80.1758 1.99156 7.92955 in (null):E-9999 (1) Number of specific fragments= 1 total=715 # 1b2sD.10.10 read from T0136.t2k.frag # found chain 1b2sD in template set T0136 10 :ELGGAEAHM 1b2sD 11 :IRSISDLHQ Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13238 Ang CD(6) at 38.3088 28.5987 -1.62319 in (null):E-9999 (1) and CA(42) at 37.191 30.845 0.252 in (null):A-9999 (7) other bump:2.38824 Ang OE2(8) at 38.7235 29.2412 -0.632772 in (null):E-9999 (1) and CA(42) at 37.191 30.845 0.252 in (null):A-9999 (7) other bump:2.52042 Ang CD(6) at 38.3088 28.5987 -1.62319 in (null):E-9999 (1) and N(41) at 36.872 29.403 0.285 in (null):A-9999 (7) other bump:2.07282 Ang OE2(8) at 38.7235 29.2412 -0.632772 in (null):E-9999 (1) and N(41) at 36.872 29.403 0.285 in (null):A-9999 (7) other bump:3.05703 Ang CD(6) at 38.3088 28.5987 -1.62319 in (null):E-9999 (1) and C(40) at 37.366 28.668 1.284 in (null):E-9999 (6) other bump:2.41772 Ang OE2(8) at 38.7235 29.2412 -0.632772 in (null):E-9999 (1) and C(40) at 37.366 28.668 1.284 in (null):E-9999 (6) other bump:2.73816 Ang CB(13) at 38.8933 22.9823 -3.2305 in (null):L-9999 (2) and OE2(38) at 38.9828 23.064 -0.495018 in (null):E-9999 (6) other bump:2.24866 Ang CA(12) at 38.45 24.313 -4.038 in (null):L-9999 (2) and OE1(37) at 38.8255 24.7486 -1.86414 in (null):E-9999 (6) other bump:2.23411 Ang CB(13) at 38.8933 22.9823 -3.2305 in (null):L-9999 (2) and OE1(37) at 38.8255 24.7486 -1.86414 in (null):E-9999 (6) other bump:1.54298 Ang N(11) at 39.146 25.33 -3.257 in (null):L-9999 (2) and OE1(37) at 38.8255 24.7486 -1.86414 in (null):E-9999 (6) other bump:2.73273 Ang C(10) at 39.85 26.287 -3.877 in (null):E-9999 (1) and OE1(37) at 38.8255 24.7486 -1.86414 in (null):E-9999 (6) other bump:3.3002 Ang CA(12) at 38.45 24.313 -4.038 in (null):L-9999 (2) and CD(36) at 38.6064 24.2472 -0.742171 in (null):E-9999 (6) other bump:2.80603 Ang CB(13) at 38.8933 22.9823 -3.2305 in (null):L-9999 (2) and CD(36) at 38.6064 24.2472 -0.742171 in (null):E-9999 (6) other bump:2.7907 Ang N(11) at 39.146 25.33 -3.257 in (null):L-9999 (2) and CD(36) at 38.6064 24.2472 -0.742171 in (null):E-9999 (6) other bump:2.79413 Ang CD(6) at 38.3088 28.5987 -1.62319 in (null):E-9999 (1) and CB(34) at 37.9128 26.479 0.153641 in (null):E-9999 (6) other bump:2.09186 Ang OE1(7) at 37.5077 27.6558 -1.52768 in (null):E-9999 (1) and CB(34) at 37.9128 26.479 0.153641 in (null):E-9999 (6) other bump:2.86978 Ang OE1(7) at 37.5077 27.6558 -1.52768 in (null):E-9999 (1) and CA(33) at 37.079 27.153 1.265 in (null):E-9999 (6) other bump:2.95024 Ang OE1(7) at 37.5077 27.6558 -1.52768 in (null):E-9999 (1) and C(22) at 34.809 27.183 -2.622 in (null):G-9999 (3) other bump:2.73502 Ang CD(6) at 38.3088 28.5987 -1.62319 in (null):E-9999 (1) and O(21) at 35.745 27.71 -1.966 in (null):G-9999 (3) other bump:1.81717 Ang OE1(7) at 37.5077 27.6558 -1.52768 in (null):E-9999 (1) and O(21) at 35.745 27.71 -1.966 in (null):G-9999 (3) Number of specific fragments= 1 total=716 # 1jiwI.10.10 read from T0136.t2k.frag # adding 1jiwI to template set 1jiwI:# found chain 1jiwI in template set T0136 10 :ELGGAEAHM 1jiwI 11 :LAGQWTLQQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=717 # 1d9nA.10.10 read from T0136.t2k.frag # found chain 1d9nA in template set T0136 10 :ELGGAEAHM 1d9nA 11 :LGPGWKRRE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.7068 Ang O(9) at 69.758 4.392 3.593 in (null):E-9999 (1) and CG(14) at 71.0502 4.11693 4.67361 in (null):L-9999 (2) neighbor-bump: 2.61005 Ang C(10) at 68.668 3.858 3.639 in (null):E-9999 (1) and CG(14) at 71.0502 4.11693 4.67361 in (null):L-9999 (2) neighbor-bump: 2.26285 Ang O(9) at 69.758 4.392 3.593 in (null):E-9999 (1) and CB(13) at 70.1255 4.55726 5.81969 in (null):L-9999 (2) Number of specific fragments= 1 total=718 # 1avgI.11.11 read from T0136.t2k.frag # found chain 1avgI in template set T0136 11 :LGGAEAHMA 1avgI 12 :MGDFKPEEF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=719 # 1b2sD.11.11 read from T0136.t2k.frag # found chain 1b2sD in template set T0136 11 :LGGAEAHMA 1b2sD 12 :RSISDLHQT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73816 Ang CB(4) at 38.8933 22.9823 -3.2305 in (null):L-9999 (1) and OE2(29) at 38.9828 23.064 -0.495018 in (null):E-9999 (5) other bump:1.54298 Ang N(2) at 39.146 25.33 -3.257 in (null):L-9999 (1) and OE1(28) at 38.8255 24.7486 -1.86414 in (null):E-9999 (5) other bump:2.24866 Ang CA(3) at 38.45 24.313 -4.038 in (null):L-9999 (1) and OE1(28) at 38.8255 24.7486 -1.86414 in (null):E-9999 (5) other bump:2.23411 Ang CB(4) at 38.8933 22.9823 -3.2305 in (null):L-9999 (1) and OE1(28) at 38.8255 24.7486 -1.86414 in (null):E-9999 (5) other bump:2.73273 Ang C(1) at 39.85 26.287 -3.877 in (null):G-9999 (0) and OE1(28) at 38.8255 24.7486 -1.86414 in (null):E-9999 (5) other bump:2.7907 Ang N(2) at 39.146 25.33 -3.257 in (null):L-9999 (1) and CD(27) at 38.6064 24.2472 -0.742171 in (null):E-9999 (5) other bump:3.3002 Ang CA(3) at 38.45 24.313 -4.038 in (null):L-9999 (1) and CD(27) at 38.6064 24.2472 -0.742171 in (null):E-9999 (5) other bump:2.80603 Ang CB(4) at 38.8933 22.9823 -3.2305 in (null):L-9999 (1) and CD(27) at 38.6064 24.2472 -0.742171 in (null):E-9999 (5) Number of specific fragments= 1 total=720 # 1bno.11.11 read from T0136.t2k.frag # found chain 1bno in template set T0136 11 :LGGAEAHMA 1bno 12 :NGGITDMLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39606 Ang CA(3) at 76.048 1.116 8.339 in (null):L-9999 (1) and CB(4) at 75.6043 1.949 9.36769 in (null):L-9999 (1) Number of specific fragments= 1 total=721 # 1jj2T.11.14 read from T0136.t2k.frag # adding 1jj2T to template set 1jj2T:# found chain 1jj2T in template set T0136 11 :LGGAEAHMA 1jj2T 15 :PGTGTMFVH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30011 Ang CB(20) at 75.0499 171.005 140.478 in (null):A-9999 (4) and N(23) at 76.332 169.137 140.875 in (null):E-9999 (5) self-bump: 2.176 Ang CB(20) at 75.0499 171.005 140.478 in (null):A-9999 (4) and C(22) at 75.066 168.969 141.246 in (null):A-9999 (4) self-bump: 1.32402 Ang CA(19) at 74.203 170.204 141.106 in (null):A-9999 (4) and CB(20) at 75.0499 171.005 140.478 in (null):A-9999 (4) neighbor-bump: 2.38494 Ang CB(4) at 70.2353 172.112 147.884 in (null):L-9999 (1) and N(10) at 69.371 170.426 146.436 in (null):G-9999 (2) self-bump: 2.18235 Ang CB(4) at 70.2353 172.112 147.884 in (null):L-9999 (1) and C(9) at 68.838 171.636 146.277 in (null):L-9999 (1) self-bump: 1.28429 Ang CA(3) at 69.516 172.77 147.048 in (null):L-9999 (1) and CB(4) at 70.2353 172.112 147.884 in (null):L-9999 (1) Number of specific fragments= 1 total=722 # 1k3bA.11.11 read from T0136.t2k.frag # found chain 1k3bA in template set T0136 11 :LGGAEAHMA 1k3bA 12 :LGTWVFQVG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.4005 Ang CB(57) at 55.6115 14.8386 30.7964 in (null):A-9999 (9) and N(60) at 56.056 12.609 31.567 in (null):G-9999 (10) other bump:2.67324 Ang CD(27) at 62.3806 21.3387 21.1896 in (null):E-9999 (5) and NE2(44) at 61.6095 21.4313 23.7476 in (null):H-9999 (7) other bump:2.316 Ang OE2(29) at 63.3099 20.7153 21.7441 in (null):E-9999 (5) and CE1(43) at 62.373 20.3573 23.8317 in (null):H-9999 (7) Number of specific fragments= 1 total=723 # 1php.11.11 read from T0136.t2k.frag # found chain 1php in training set T0136 11 :LGGAEAHMA 1php 12 :RGKRVFCRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=724 # 1avgI.12.12 read from T0136.t2k.frag # found chain 1avgI in template set T0136 12 :GGAEAHMAI 1avgI 13 :GDFKPEEFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=725 # 1b2sD.12.12 read from T0136.t2k.frag # found chain 1b2sD in template set T0136 12 :GGAEAHMAI 1b2sD 13 :SISDLHQTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=726 # 1jj2T.12.15 read from T0136.t2k.frag # found chain 1jj2T in template set T0136 12 :GGAEAHMAI 1jj2T 16 :GTGTMFVHK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30011 Ang CB(12) at 75.0499 171.005 140.478 in (null):A-9999 (3) and N(15) at 76.332 169.137 140.875 in (null):E-9999 (4) self-bump: 2.176 Ang CB(12) at 75.0499 171.005 140.478 in (null):A-9999 (3) and C(14) at 75.066 168.969 141.246 in (null):A-9999 (3) self-bump: 1.32402 Ang CA(11) at 74.203 170.204 141.106 in (null):A-9999 (3) and CB(12) at 75.0499 171.005 140.478 in (null):A-9999 (3) Number of specific fragments= 1 total=727 # 1bno.12.12 read from T0136.t2k.frag # found chain 1bno in template set T0136 12 :GGAEAHMAI 1bno 13 :GGITDMLVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=728 # 1ica.12.13 read from T0136.t2k.frag # adding 1ica to template set 1ica:# found chain 1ica in template set T0136 12 :GGAEAHMAI 1ica 14 :SACAAHCLL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32802 Ang CA(3) at 6.365 0.316 -0.99 in (null):G-9999 (1) and OE1(20) at 4.15643 -0.129765 -1.57584 in (null):E-9999 (4) other bump:2.74748 Ang C(5) at 6.271 -0.829 0.033 in (null):G-9999 (1) and OE1(20) at 4.15643 -0.129765 -1.57584 in (null):E-9999 (4) Number of specific fragments= 1 total=729 # 1lm8C.12.13 read from T0136.t2k.frag # adding 1lm8C to template set 1lm8C:# found chain 1lm8C in template set T0136 12 :GGAEAHMAI 1lm8C 30 :IVKREHALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=730 # 1avgI.13.13 read from T0136.t2k.frag # found chain 1avgI in template set T0136 13 :GAEAHMAIS 1avgI 14 :DFKPEEFFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=731 # 1b2sD.13.13 read from T0136.t2k.frag # found chain 1b2sD in template set T0136 13 :GAEAHMAIS 1b2sD 14 :ISDLHQTLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=732 # 1jj2T.13.16 read from T0136.t2k.frag # found chain 1jj2T in template set T0136 13 :GAEAHMAIS 1jj2T 17 :TGTMFVHKD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.30011 Ang CB(8) at 75.0499 171.005 140.478 in (null):A-9999 (2) and N(11) at 76.332 169.137 140.875 in (null):E-9999 (3) self-bump: 2.176 Ang CB(8) at 75.0499 171.005 140.478 in (null):A-9999 (2) and C(10) at 75.066 168.969 141.246 in (null):A-9999 (2) self-bump: 1.32402 Ang CA(7) at 74.203 170.204 141.106 in (null):A-9999 (2) and CB(8) at 75.0499 171.005 140.478 in (null):A-9999 (2) Number of specific fragments= 1 total=733 # 1lm8C.13.14 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 13 :GAEAHMAIS 1lm8C 31 :VKREHALTS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=734 # 1ica.13.14 read from T0136.t2k.frag # found chain 1ica in template set T0136 13 :GAEAHMAIS 1ica 15 :ACAAHCLLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74748 Ang C(1) at 6.271 -0.829 0.033 in (null):G-9999 (0) and OE1(16) at 4.15643 -0.129765 -1.57584 in (null):E-9999 (3) Number of specific fragments= 1 total=735 # 1ddbA.13.13 read from T0136.t2k.frag # adding 1ddbA to template set 1ddbA:# found chain 1ddbA in template set T0136 13 :GAEAHMAIS 1ddbA 14 :KHITDLLVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75115 Ang O(41) at -9.139 -1.232 -3.375 in (null):M-9999 (6) and CA(63) at -9.99 0.273 -1.235 in (null):G-9999 (10) Number of specific fragments= 1 total=736 # 1avgI.14.14 read from T0136.t2k.frag # found chain 1avgI in template set T0136 14 :AEAHMAISG 1avgI 15 :FKPEEFFNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=737 # 1lm8C.14.15 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 14 :AEAHMAISG 1lm8C 32 :KREHALTSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=738 # 1b2sD.14.14 read from T0136.t2k.frag # found chain 1b2sD in template set T0136 14 :AEAHMAISG 1b2sD 15 :SDLHQTLKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=739 # 1jj2T.14.17 read from T0136.t2k.frag # found chain 1jj2T in template set T0136 14 :AEAHMAISG 1jj2T 18 :GTMFVHKDG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3001 Ang CB(4) at 75.0499 171.005 140.478 in (null):A-9999 (1) and N(7) at 76.332 169.137 140.875 in (null):E-9999 (2) self-bump: 2.17601 Ang CB(4) at 75.0499 171.005 140.478 in (null):A-9999 (1) and C(6) at 75.066 168.969 141.246 in (null):A-9999 (1) self-bump: 1.32404 Ang CA(3) at 74.203 170.204 141.106 in (null):A-9999 (1) and CB(4) at 75.0499 171.005 140.478 in (null):A-9999 (1) Number of specific fragments= 1 total=740 # 1ica.14.15 read from T0136.t2k.frag # found chain 1ica in template set T0136 14 :AEAHMAISG 1ica 16 :CAAHCLLRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37274 Ang CA(53) at 0.824 -13.135 -0.424 in (null):S-9999 (8) and CB(54) at -0.305919 -12.6981 0.221611 in (null):S-9999 (8) Number of specific fragments= 1 total=741 # 1ahpA.14.14 read from T0136.t2k.frag # adding 1ahpA to template set 1ahpA:# found chain 1ahpA in template set T0136 14 :AEAHMAISG 1ahpA 14 :LSRQWQRYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=742 # 1avgI.15.15 read from T0136.t2k.frag # found chain 1avgI in template set T0136 15 :EAHMAISGN 1avgI 16 :KPEEFFNGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=743 # 1lm8C.15.16 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 15 :EAHMAISGN 1lm8C 33 :REHALTSGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=744 # 1jj2T.15.18 read from T0136.t2k.frag # found chain 1jj2T in template set T0136 15 :EAHMAISGN 1jj2T 19 :TMFVHKDGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=745 # 1b2sD.15.15 read from T0136.t2k.frag # found chain 1b2sD in template set T0136 15 :EAHMAISGN 1b2sD 16 :DLHQTLKKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=746 # 1ica.15.16 read from T0136.t2k.frag # found chain 1ica in template set T0136 15 :EAHMAISGN 1ica 17 :AAHCLLRGN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66823 Ang CG(29) at -1.19041 -6.99925 -1.66701 in (null):M-9999 (4) and CB(59) at -1.994 -8.73 -3.532 in (null):N-9999 (9) self-bump: 1.37274 Ang CA(48) at 0.824 -13.135 -0.424 in (null):S-9999 (7) and CB(49) at -0.305919 -12.6981 0.221611 in (null):S-9999 (7) Number of specific fragments= 1 total=747 # 1srrA.15.19 read from T0136.t2k.frag # adding 1srrA to template set 1srrA:# found chain 1srrA in template set T0136 15 :EAHMAISGN 1srrA 20 :NEVFNKEGY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=748 # 1avgI.16.16 read from T0136.t2k.frag # found chain 1avgI in template set T0136 16 :AHMAISGNI 1avgI 17 :PEEFFNGTW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=749 # 1lm8C.16.17 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 16 :AHMAISGNI 1lm8C 34 :EHALTSGTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=750 # 1srrA.16.20 read from T0136.t2k.frag # found chain 1srrA in template set T0136 16 :AHMAISGNI 1srrA 21 :EVFNKEGYQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=751 # 1jj2T.16.19 read from T0136.t2k.frag # found chain 1jj2T in template set T0136 16 :AHMAISGNI 1jj2T 20 :MFVHKDGAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=752 # 2fsp.16.20 read from T0136.t2k.frag # adding 2fsp to template set 2fsp:# found chain 2fsp in template set T0136 16 :AHMAISGNI 2fsp 21 :EVFNKEGYQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.45717 Ang O(46) at -12.094 -18.841 2.09 in (null):G-9999 (7) and CG(51) at -10.2882 -17.2462 1.60696 in (null):N-9999 (8) Number of specific fragments= 1 total=753 # 1ica.16.17 read from T0136.t2k.frag # found chain 1ica in template set T0136 16 :AHMAISGNI 1ica 18 :AHCLLRGNR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92352 Ang SD(21) at -2.00505 -5.6561 -2.55608 in (null):M-9999 (3) and CA(65) at -1.609 -3.556 -4.551 in (null):G-9999 (10) other bump:2.06874 Ang CE(22) at -0.891378 -5.39154 -3.92213 in (null):M-9999 (3) and CA(65) at -1.609 -3.556 -4.551 in (null):G-9999 (10) other bump:2.87975 Ang SD(21) at -2.00505 -5.6561 -2.55608 in (null):M-9999 (3) and N(64) at -1.193 -4.841 -5.196 in (null):G-9999 (10) other bump:1.42015 Ang CE(22) at -0.891378 -5.39154 -3.92213 in (null):M-9999 (3) and N(64) at -1.193 -4.841 -5.196 in (null):G-9999 (10) other bump:2.59619 Ang CE(22) at -0.891378 -5.39154 -3.92213 in (null):M-9999 (3) and C(63) at -0.96 -4.941 -6.478 in (null):I-9999 (9) other bump:2.66823 Ang CG(20) at -1.19041 -6.99925 -1.66701 in (null):M-9999 (3) and CB(50) at -1.994 -8.73 -3.532 in (null):N-9999 (8) self-bump: 1.37274 Ang CA(39) at 0.824 -13.135 -0.424 in (null):S-9999 (6) and CB(40) at -0.305919 -12.6981 0.221611 in (null):S-9999 (6) Number of specific fragments= 1 total=754 # 1avgI.17.17 read from T0136.t2k.frag # found chain 1avgI in template set T0136 17 :HMAISGNIH 1avgI 18 :EEFFNGTWY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=755 # 1srrA.17.21 read from T0136.t2k.frag # found chain 1srrA in template set T0136 17 :HMAISGNIH 1srrA 22 :VFNKEGYQT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41934 Ang CB(14) at 2.30873 10.6478 54.6178 in (null):M-9999 (2) and NE2(66) at 3.90767 12.4606 54.5171 in (null):H-9999 (9) other bump:2.6794 Ang CA(13) at 3.356 10.179 55.809 in (null):M-9999 (2) and NE2(66) at 3.90767 12.4606 54.5171 in (null):H-9999 (9) other bump:1.95545 Ang O(18) at 5.338 11.421 55.352 in (null):M-9999 (2) and NE2(66) at 3.90767 12.4606 54.5171 in (null):H-9999 (9) other bump:2.03976 Ang C(19) at 4.389 11.261 56.095 in (null):M-9999 (2) and NE2(66) at 3.90767 12.4606 54.5171 in (null):H-9999 (9) other bump:2.10654 Ang CB(14) at 2.30873 10.6478 54.6178 in (null):M-9999 (2) and CE1(65) at 3.14248 12.2061 53.4715 in (null):H-9999 (9) other bump:3.10136 Ang CA(13) at 3.356 10.179 55.809 in (null):M-9999 (2) and CE1(65) at 3.14248 12.2061 53.4715 in (null):H-9999 (9) other bump:3.05444 Ang C(19) at 4.389 11.261 56.095 in (null):M-9999 (2) and CE1(65) at 3.14248 12.2061 53.4715 in (null):H-9999 (9) other bump:3.05036 Ang CB(45) at 5.93959 12.0896 52.2602 in (null):N-9999 (7) and CE1(65) at 3.14248 12.2061 53.4715 in (null):H-9999 (9) other bump:2.99251 Ang CB(14) at 2.30873 10.6478 54.6178 in (null):M-9999 (2) and ND1(64) at 2.42459 13.2857 53.2097 in (null):H-9999 (9) other bump:2.82987 Ang C(19) at 4.389 11.261 56.095 in (null):M-9999 (2) and CD2(63) at 3.67359 13.7442 54.9418 in (null):H-9999 (9) other bump:2.859 Ang N(20) at 4.203 12.011 57.153 in (null):A-9999 (3) and CD2(63) at 3.67359 13.7442 54.9418 in (null):H-9999 (9) other bump:3.06091 Ang CA(21) at 5.181 13.001 57.5 in (null):A-9999 (3) and CD2(63) at 3.67359 13.7442 54.9418 in (null):H-9999 (9) Number of specific fragments= 1 total=756 # 2fsp.17.21 read from T0136.t2k.frag # found chain 2fsp in template set T0136 17 :HMAISGNIH 2fsp 22 :VFNKEGYQT Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26415 Ang CG(15) at -7.97032 -13.2459 3.85922 in (null):M-9999 (2) and NE2(66) at -7.16943 -15.2711 3.24013 in (null):H-9999 (9) other bump:2.18707 Ang SD(16) at -6.27587 -13.2759 3.17603 in (null):M-9999 (2) and NE2(66) at -7.16943 -15.2711 3.24013 in (null):H-9999 (9) other bump:2.29492 Ang CB(14) at -8.22923 -14.2503 5.00121 in (null):M-9999 (2) and NE2(66) at -7.16943 -15.2711 3.24013 in (null):H-9999 (9) other bump:2.77771 Ang CG(15) at -7.97032 -13.2459 3.85922 in (null):M-9999 (2) and CE1(65) at -6.0605 -14.8837 2.68205 in (null):H-9999 (9) other bump:1.69568 Ang SD(16) at -6.27587 -13.2759 3.17603 in (null):M-9999 (2) and CE1(65) at -6.0605 -14.8837 2.68205 in (null):H-9999 (9) other bump:2.98524 Ang CE(17) at -5.30567 -12.7808 4.6619 in (null):M-9999 (2) and CE1(65) at -6.0605 -14.8837 2.68205 in (null):H-9999 (9) other bump:2.36323 Ang SD(16) at -6.27587 -13.2759 3.17603 in (null):M-9999 (2) and ND1(64) at -5.03114 -15.2667 3.44471 in (null):H-9999 (9) other bump:2.78149 Ang CE(17) at -5.30567 -12.7808 4.6619 in (null):M-9999 (2) and ND1(64) at -5.03114 -15.2667 3.44471 in (null):H-9999 (9) other bump:2.97267 Ang CG(15) at -7.97032 -13.2459 3.85922 in (null):M-9999 (2) and CD2(63) at -6.88058 -15.9559 4.41147 in (null):H-9999 (9) other bump:3.01233 Ang SD(16) at -6.27587 -13.2759 3.17603 in (null):M-9999 (2) and CD2(63) at -6.88058 -15.9559 4.41147 in (null):H-9999 (9) other bump:2.25294 Ang CB(14) at -8.22923 -14.2503 5.00121 in (null):M-9999 (2) and CD2(63) at -6.88058 -15.9559 4.41147 in (null):H-9999 (9) other bump:3.08584 Ang SD(16) at -6.27587 -13.2759 3.17603 in (null):M-9999 (2) and CG(62) at -5.53474 -15.9333 4.55863 in (null):H-9999 (9) neighbor-bump: 2.45717 Ang O(41) at -12.094 -18.841 2.09 in (null):G-9999 (6) and CG(46) at -10.2882 -17.2462 1.60696 in (null):N-9999 (7) Number of specific fragments= 1 total=757 # 1lm8C.17.18 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 17 :HMAISGNIH 1lm8C 35 :HALTSGTIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=758 # 1jj2T.17.20 read from T0136.t2k.frag # found chain 1jj2T in template set T0136 17 :HMAISGNIH 1jj2T 21 :FVHKDGATT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=759 # 1ahpA.17.17 read from T0136.t2k.frag # found chain 1ahpA in template set T0136 17 :HMAISGNIH 1ahpA 17 :QWQRYGLNS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16308 Ang SD(16) at 10.6761 0.493068 38.6454 in (null):M-9999 (2) and CA(70) at 8.565 0.964 38.624 in (null):G-9999 (10) other bump:1.66593 Ang CE(17) at 9.73884 1.66695 37.6736 in (null):M-9999 (2) and CA(70) at 8.565 0.964 38.624 in (null):G-9999 (10) other bump:3.0479 Ang SD(16) at 10.6761 0.493068 38.6454 in (null):M-9999 (2) and N(69) at 8.246 2.218 39.285 in (null):G-9999 (10) other bump:2.2647 Ang CE(17) at 9.73884 1.66695 37.6736 in (null):M-9999 (2) and N(69) at 8.246 2.218 39.285 in (null):G-9999 (10) other bump:2.42193 Ang CE(17) at 9.73884 1.66695 37.6736 in (null):M-9999 (2) and C(68) at 8.293 3.365 38.618 in (null):H-9999 (9) other bump:2.09718 Ang CE(17) at 9.73884 1.66695 37.6736 in (null):M-9999 (2) and O(67) at 8.648 3.442 37.434 in (null):H-9999 (9) Number of specific fragments= 1 total=760 # 1avgI.18.18 read from T0136.t2k.frag # found chain 1avgI in template set T0136 18 :MAISGNIHF 1avgI 19 :EFFNGTWYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=761 # 1srrA.18.22 read from T0136.t2k.frag # found chain 1srrA in template set T0136 18 :MAISGNIHF 1srrA 23 :FNKEGYQTF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=762 # 2fsp.18.22 read from T0136.t2k.frag # found chain 2fsp in template set T0136 18 :MAISGNIHF 2fsp 23 :FNKEGYQTF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0495 Ang CE(7) at -8.59811 -14.703 1.86134 in (null):M-9999 (1) and NE2(56) at -7.30881 -15.3362 3.32324 in (null):H-9999 (8) other bump:2.22657 Ang CB(4) at -8.23484 -14.2449 5.02886 in (null):M-9999 (1) and NE2(56) at -7.30881 -15.3362 3.32324 in (null):H-9999 (8) other bump:2.37356 Ang CG(5) at -7.90914 -13.1572 4.04809 in (null):M-9999 (1) and NE2(56) at -7.30881 -15.3362 3.32324 in (null):H-9999 (8) other bump:2.54763 Ang CE(7) at -8.59811 -14.703 1.86134 in (null):M-9999 (1) and CE1(55) at -6.24367 -15.3954 2.54512 in (null):H-9999 (8) other bump:2.00064 Ang CB(4) at -8.23484 -14.2449 5.02886 in (null):M-9999 (1) and CD2(53) at -6.95853 -15.7225 4.59247 in (null):H-9999 (8) other bump:2.78934 Ang CG(5) at -7.90914 -13.1572 4.04809 in (null):M-9999 (1) and CD2(53) at -6.95853 -15.7225 4.59247 in (null):H-9999 (8) neighbor-bump: 2.45717 Ang O(31) at -12.094 -18.841 2.09 in (null):G-9999 (5) and CG(36) at -10.2882 -17.2462 1.60696 in (null):N-9999 (6) Number of specific fragments= 1 total=763 # 1lm8C.18.19 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 18 :MAISGNIHF 1lm8C 36 :ALTSGTIKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.1683 Ang CE(7) at 56.366 33.8526 110.067 in (null):M-9999 (1) and CD1(46) at 58.194 33.106 110.963 in (null):I-9999 (7) Number of specific fragments= 1 total=764 # 1jj2T.18.21 read from T0136.t2k.frag # found chain 1jj2T in template set T0136 18 :MAISGNIHF 1jj2T 22 :VHKDGATTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=765 # 1b00A.18.21 read from T0136.t2k.frag # adding 1b00A to template set 1b00A:# found chain 1b00A in template set T0136 18 :MAISGNIHF 1b00A 22 :LEQNGFQPV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64526 Ang CB(4) at 6.02185 30.2402 25.8678 in (null):M-9999 (1) and NE2(56) at 8.06744 30.3873 24.1971 in (null):H-9999 (8) other bump:2.64334 Ang C(9) at 6.628 32.47 24.957 in (null):M-9999 (1) and NE2(56) at 8.06744 30.3873 24.1971 in (null):H-9999 (8) other bump:1.85494 Ang N(10) at 7.546 32.161 24.046 in (null):A-9999 (2) and NE2(56) at 8.06744 30.3873 24.1971 in (null):H-9999 (8) other bump:2.76117 Ang CA(11) at 8.667 33.049 23.773 in (null):A-9999 (2) and NE2(56) at 8.06744 30.3873 24.1971 in (null):H-9999 (8) other bump:2.77587 Ang CG(5) at 4.93276 29.2913 26.3372 in (null):M-9999 (1) and CE1(55) at 7.08112 29.5754 24.6025 in (null):H-9999 (8) other bump:3.36835 Ang SD(6) at 5.60539 27.7929 27.0501 in (null):M-9999 (1) and CE1(55) at 7.08112 29.5754 24.6025 in (null):H-9999 (8) other bump:2.80811 Ang N(2) at 4.851 31.126 23.89 in (null):M-9999 (1) and CE1(55) at 7.08112 29.5754 24.6025 in (null):H-9999 (8) other bump:2.53493 Ang CA(3) at 5.497 31.476 25.154 in (null):M-9999 (1) and CE1(55) at 7.08112 29.5754 24.6025 in (null):H-9999 (8) other bump:1.77903 Ang CB(4) at 6.02185 30.2402 25.8678 in (null):M-9999 (1) and CE1(55) at 7.08112 29.5754 24.6025 in (null):H-9999 (8) other bump:2.95122 Ang C(9) at 6.628 32.47 24.957 in (null):M-9999 (1) and CE1(55) at 7.08112 29.5754 24.6025 in (null):H-9999 (8) other bump:2.68536 Ang N(10) at 7.546 32.161 24.046 in (null):A-9999 (2) and CE1(55) at 7.08112 29.5754 24.6025 in (null):H-9999 (8) other bump:2.97758 Ang CG(5) at 4.93276 29.2913 26.3372 in (null):M-9999 (1) and ND1(54) at 7.58957 28.5284 25.2303 in (null):H-9999 (8) other bump:2.79099 Ang SD(6) at 5.60539 27.7929 27.0501 in (null):M-9999 (1) and ND1(54) at 7.58957 28.5284 25.2303 in (null):H-9999 (8) other bump:2.40716 Ang CB(4) at 6.02185 30.2402 25.8678 in (null):M-9999 (1) and ND1(54) at 7.58957 28.5284 25.2303 in (null):H-9999 (8) Number of specific fragments= 1 total=766 # 1srrA.19.23 read from T0136.t2k.frag # found chain 1srrA in template set T0136 19 :AISGNIHFV 1srrA 24 :NKEGYQTFQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75267 Ang NE2(48) at -1.46202 16.0255 54.9548 in (null):H-9999 (7) and CG2(66) at -2.84035 18.3499 55.4791 in (null):V-9999 (9) Number of specific fragments= 1 total=767 # 2fsp.19.23 read from T0136.t2k.frag # found chain 2fsp in template set T0136 19 :AISGNIHFV 2fsp 24 :NKEGYQTFQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.45717 Ang O(23) at -12.094 -18.841 2.09 in (null):G-9999 (4) and CG(28) at -10.2882 -17.2462 1.60696 in (null):N-9999 (5) Number of specific fragments= 1 total=768 # 1avgI.19.19 read from T0136.t2k.frag # found chain 1avgI in template set T0136 19 :AISGNIHFV 1avgI 20 :FFNGTWYLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=769 # 1lm8C.19.20 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 19 :AISGNIHFV 1lm8C 37 :LTSGTIKAM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=770 # 1b00A.19.22 read from T0136.t2k.frag # found chain 1b00A in template set T0136 19 :AISGNIHFV 1b00A 23 :EQNGFQPVE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64334 Ang C(1) at 6.628 32.47 24.957 in (null):G-9999 (0) and NE2(48) at 8.06744 30.3873 24.1971 in (null):H-9999 (7) other bump:1.85494 Ang N(2) at 7.546 32.161 24.046 in (null):A-9999 (1) and NE2(48) at 8.06744 30.3873 24.1971 in (null):H-9999 (7) other bump:2.76117 Ang CA(3) at 8.667 33.049 23.773 in (null):A-9999 (1) and NE2(48) at 8.06744 30.3873 24.1971 in (null):H-9999 (7) other bump:2.95122 Ang C(1) at 6.628 32.47 24.957 in (null):G-9999 (0) and CE1(47) at 7.08112 29.5754 24.6025 in (null):H-9999 (7) other bump:2.68536 Ang N(2) at 7.546 32.161 24.046 in (null):A-9999 (1) and CE1(47) at 7.08112 29.5754 24.6025 in (null):H-9999 (7) Number of specific fragments= 1 total=771 # 1yacA.19.19 read from T0136.t2k.frag # adding 1yacA to template set 1yacA:# found chain 1yacA in template set T0136 19 :AISGNIHFV 1yacA 20 :HQAGLLSLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75807 Ang CD1(12) at 45.5814 -28.2395 16.105 in (null):I-9999 (2) and ND2(29) at 47.1856 -26.8156 17.8387 in (null):N-9999 (5) Number of specific fragments= 1 total=772 # 1srrA.20.24 read from T0136.t2k.frag # found chain 1srrA in template set T0136 20 :ISGNIHFVA 1srrA 25 :KEGYQTFQA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75267 Ang NE2(43) at -1.46202 16.0255 54.9548 in (null):H-9999 (6) and CG2(61) at -2.84035 18.3499 55.4791 in (null):V-9999 (8) Number of specific fragments= 1 total=773 # 2fsp.20.24 read from T0136.t2k.frag # found chain 2fsp in template set T0136 20 :ISGNIHFVA 2fsp 25 :KEGYQTFQA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.45717 Ang O(18) at -12.094 -18.841 2.09 in (null):G-9999 (3) and CG(23) at -10.2882 -17.2462 1.60696 in (null):N-9999 (4) Number of specific fragments= 1 total=774 # 1avgI.20.20 read from T0136.t2k.frag # found chain 1avgI in template set T0136 20 :ISGNIHFVA 1avgI 21 :FNGTWYLAH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=775 # 1b00A.20.23 read from T0136.t2k.frag # found chain 1b00A in template set T0136 20 :ISGNIHFVA 1b00A 24 :QNGFQPVEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=776 # 1lm8C.20.21 read from T0136.t2k.frag # found chain 1lm8C in template set T0136 20 :ISGNIHFVA 1lm8C 38 :TSGTIKAML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=777 # 1jjuA.20.21 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 20 :ISGNIHFVA 1jjuA 22 :RWERIDAAR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09187 Ang CG1(5) at 98.3236 -9.24167 37.4816 in (null):I-9999 (1) and ND1(41) at 99.4575 -6.68472 38.7991 in (null):H-9999 (6) other bump:3.11214 Ang CB(12) at 94.4826 -6.57423 39.7214 in (null):S-9999 (2) and CD2(40) at 97.4524 -5.8521 39.135 in (null):H-9999 (6) other bump:2.84321 Ang CG1(5) at 98.3236 -9.24167 37.4816 in (null):I-9999 (1) and CG(39) at 98.2276 -6.50133 38.2333 in (null):H-9999 (6) other bump:2.36107 Ang CG1(5) at 98.3236 -9.24167 37.4816 in (null):I-9999 (1) and CB(38) at 97.9206 -7.00759 36.8326 in (null):H-9999 (6) other bump:2.87123 Ang CD1(7) at 99.057 -9.56072 36.1738 in (null):I-9999 (1) and CB(38) at 97.9206 -7.00759 36.8326 in (null):H-9999 (6) Number of specific fragments= 1 total=778 # 1srrA.21.25 read from T0136.t2k.frag # found chain 1srrA in template set T0136 21 :SGNIHFVAE 1srrA 26 :EGYQTFQAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75267 Ang NE2(35) at -1.46202 16.0255 54.9548 in (null):H-9999 (5) and CG2(53) at -2.84035 18.3499 55.4791 in (null):V-9999 (7) Number of specific fragments= 1 total=779 # 2fsp.21.25 read from T0136.t2k.frag # found chain 2fsp in template set T0136 21 :SGNIHFVAE 2fsp 26 :EGYQTFQAA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.16047 Ang O(59) at 5.073 -13.144 9.005 in (null):A-9999 (8) and CG(64) at 6.06453 -11.3021 9.54531 in (null):E-9999 (9) self-bump: 1.38215 Ang CA(62) at 7.637 -12.658 8.343 in (null):E-9999 (9) and CB(63) at 7.46158 -11.8112 9.42115 in (null):E-9999 (9) neighbor-bump: 2.45717 Ang O(10) at -12.094 -18.841 2.09 in (null):G-9999 (2) and CG(15) at -10.2882 -17.2462 1.60696 in (null):N-9999 (3) Number of specific fragments= 1 total=780 # 1avgI.21.21 read from T0136.t2k.frag # found chain 1avgI in template set T0136 21 :SGNIHFVAE 1avgI 22 :NGTWYLAHG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16221 Ang CG1(52) at -5.45251 19.9257 88.034 in (null):V-9999 (7) and C(69) at -3.752 17.52 86.885 in (null):E-9999 (9) other bump:2.20432 Ang CG1(52) at -5.45251 19.9257 88.034 in (null):V-9999 (7) and O(68) at -4.752 17.908 87.489 in (null):E-9999 (9) neighbor-bump: 2.43165 Ang O(59) at -0.37 19.592 88.375 in (null):A-9999 (8) and CG(64) at -0.414291 17.1986 88.8024 in (null):E-9999 (9) Number of specific fragments= 1 total=781 # 1b00A.21.24 read from T0136.t2k.frag # found chain 1b00A in template set T0136 21 :SGNIHFVAE 1b00A 25 :NGFQPVEAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=782 # 1jjuA.21.22 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 21 :SGNIHFVAE 1jjuA 23 :WERIDAARK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=783 # 1yacA.21.21 read from T0136.t2k.frag # found chain 1yacA in template set T0136 21 :SGNIHFVAE 1yacA 22 :AGLLSLVRD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=784 # 1srrA.22.26 read from T0136.t2k.frag # found chain 1srrA in template set T0136 22 :GNIHFVAED 1srrA 27 :GYQTFQAAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75267 Ang NE2(29) at -1.46202 16.0255 54.9548 in (null):H-9999 (4) and CG2(47) at -2.84035 18.3499 55.4791 in (null):V-9999 (6) Number of specific fragments= 1 total=785 # 2fsp.22.26 read from T0136.t2k.frag # found chain 2fsp in template set T0136 22 :GNIHFVAED 2fsp 27 :GYQTFQAAN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.45717 Ang O(4) at -12.094 -18.841 2.09 in (null):G-9999 (1) and CG(9) at -10.2882 -17.2462 1.60696 in (null):N-9999 (2) Number of specific fragments= 1 total=786 # 1jjuA.22.23 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 22 :GNIHFVAED 1jjuA 24 :ERIDAARKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=787 # 1b00A.22.25 read from T0136.t2k.frag # found chain 1b00A in template set T0136 22 :GNIHFVAED 1b00A 26 :GFQPVEAED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=788 # 1avgI.22.22 read from T0136.t2k.frag # found chain 1avgI in template set T0136 22 :GNIHFVAED 1avgI 23 :GTWYLAHGP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16221 Ang CG1(46) at -5.45251 19.9257 88.034 in (null):V-9999 (6) and C(63) at -3.752 17.52 86.885 in (null):E-9999 (8) other bump:2.20432 Ang CG1(46) at -5.45251 19.9257 88.034 in (null):V-9999 (6) and O(62) at -4.752 17.908 87.489 in (null):E-9999 (8) neighbor-bump: 2.43164 Ang O(53) at -0.37 19.592 88.375 in (null):A-9999 (7) and CG(58) at -0.414291 17.1986 88.8024 in (null):E-9999 (8) Number of specific fragments= 1 total=789 # 1d9eA.22.22 read from T0136.t2k.frag # adding 1d9eA to template set 1d9eA:# found chain 1d9eA in template set T0136 22 :GNIHFVAED 1d9eA 1023 :GGMNVLESR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39873 Ang CA(65) at 100.103 16.983 189.181 in (null):D-9999 (9) and CB(66) at 98.9519 17.3608 188.482 in (null):D-9999 (9) neighbor-bump: 2.15998 Ang ND2(10) at 111.4 23.5334 192.781 in (null):N-9999 (2) and C(21) at 111.018 21.435 192.44 in (null):I-9999 (3) neighbor-bump: 1.702 Ang ND2(10) at 111.4 23.5334 192.781 in (null):N-9999 (2) and O(20) at 110.916 22.364 191.643 in (null):I-9999 (3) neighbor-bump: 2.62782 Ang ND2(10) at 111.4 23.5334 192.781 in (null):N-9999 (2) and CA(15) at 110.179 21.394 193.696 in (null):I-9999 (3) neighbor-bump: 2.298 Ang CB(8) at 109.573 24.9853 193.469 in (null):N-9999 (2) and N(14) at 109.625 22.731 193.912 in (null):I-9999 (3) neighbor-bump: 2.54007 Ang CG(9) at 111.05 24.7222 193.236 in (null):N-9999 (2) and N(14) at 109.625 22.731 193.912 in (null):I-9999 (3) neighbor-bump: 2.2526 Ang ND2(10) at 111.4 23.5334 192.781 in (null):N-9999 (2) and N(14) at 109.625 22.731 193.912 in (null):I-9999 (3) Number of specific fragments= 1 total=790 # 1srrA.23.27 read from T0136.t2k.frag # found chain 1srrA in template set T0136 23 :NIHFVAEDD 1srrA 28 :YQTFQAANG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75266 Ang NE2(25) at -1.46203 16.0256 54.9548 in (null):H-9999 (3) and CG2(43) at -2.84035 18.3499 55.4791 in (null):V-9999 (5) Number of specific fragments= 1 total=791 # 2fsp.23.27 read from T0136.t2k.frag # found chain 2fsp in template set T0136 23 :NIHFVAEDD 2fsp 28 :YQTFQAANG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27769 Ang CA(69) at 10.846 -15.116 5.099 in (null):D-9999 (9) and CB(70) at 11.5952 -14.6339 4.18315 in (null):D-9999 (9) neighbor-bump: 2.37469 Ang O(0) at -12.094 -18.841 2.09 in (null):G-9999 (0) and CG(5) at -10.369 -17.2698 1.64838 in (null):N-9999 (1) Number of specific fragments= 1 total=792 # 1jjuA.23.24 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 23 :NIHFVAEDD 1jjuA 25 :RIDAARKTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=793 # 1b00A.23.26 read from T0136.t2k.frag # found chain 1b00A in template set T0136 23 :NIHFVAEDD 1b00A 27 :FQPVEAEDY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=794 # 1d9eA.23.23 read from T0136.t2k.frag # found chain 1d9eA in template set T0136 23 :NIHFVAEDD 1d9eA 1024 :GMNVLESRD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38039 Ang CA(61) at 100.103 16.983 189.181 in (null):D-9999 (8) and CB(62) at 98.9814 17.4944 188.56 in (null):D-9999 (8) neighbor-bump: 2.15999 Ang ND2(6) at 111.4 23.5334 192.781 in (null):N-9999 (1) and C(17) at 111.018 21.435 192.44 in (null):I-9999 (2) neighbor-bump: 1.70202 Ang ND2(6) at 111.4 23.5334 192.781 in (null):N-9999 (1) and O(16) at 110.916 22.364 191.643 in (null):I-9999 (2) neighbor-bump: 2.62782 Ang ND2(6) at 111.4 23.5334 192.781 in (null):N-9999 (1) and CA(11) at 110.179 21.394 193.696 in (null):I-9999 (2) neighbor-bump: 2.298 Ang CB(4) at 109.573 24.9854 193.469 in (null):N-9999 (1) and N(10) at 109.625 22.731 193.912 in (null):I-9999 (2) neighbor-bump: 2.54006 Ang CG(5) at 111.05 24.7222 193.236 in (null):N-9999 (1) and N(10) at 109.625 22.731 193.912 in (null):I-9999 (2) neighbor-bump: 2.25258 Ang ND2(6) at 111.4 23.5334 192.781 in (null):N-9999 (1) and N(10) at 109.625 22.731 193.912 in (null):I-9999 (2) Number of specific fragments= 1 total=795 # 1dj7A.23.23 read from T0136.t2k.frag # adding 1dj7A to template set 1dj7A:# found chain 1dj7A in template set T0136 23 :NIHFVAEDD 1dj7A 24 :RTDTYFCSD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69549 Ang CD1(15) at 10.2357 21.6739 33.8865 in (null):I-9999 (2) and CE1(34) at 9.8398 23.4855 31.9303 in (null):F-9999 (4) other bump:2.27503 Ang CB(12) at 10.3636 24.2118 34.0216 in (null):I-9999 (2) and CE1(34) at 9.8398 23.4855 31.9303 in (null):F-9999 (4) other bump:2.4695 Ang CG1(13) at 9.54832 22.9572 34.3249 in (null):I-9999 (2) and CE1(34) at 9.8398 23.4855 31.9303 in (null):F-9999 (4) other bump:2.67762 Ang O(16) at 7.963 25.387 32.597 in (null):I-9999 (2) and CD1(32) at 8.94466 22.9099 32.8611 in (null):F-9999 (4) other bump:2.06056 Ang CD1(15) at 10.2357 21.6739 33.8865 in (null):I-9999 (2) and CD1(32) at 8.94466 22.9099 32.8611 in (null):F-9999 (4) other bump:2.24841 Ang CB(12) at 10.3636 24.2118 34.0216 in (null):I-9999 (2) and CD1(32) at 8.94466 22.9099 32.8611 in (null):F-9999 (4) other bump:1.58411 Ang CG1(13) at 9.54832 22.9572 34.3249 in (null):I-9999 (2) and CD1(32) at 8.94466 22.9099 32.8611 in (null):F-9999 (4) other bump:2.59525 Ang CD1(15) at 10.2357 21.6739 33.8865 in (null):I-9999 (2) and CG(31) at 8.06761 21.8962 32.4775 in (null):F-9999 (4) other bump:2.59443 Ang CG1(13) at 9.54832 22.9572 34.3249 in (null):I-9999 (2) and CG(31) at 8.06761 21.8962 32.4775 in (null):F-9999 (4) Number of specific fragments= 1 total=796 # 1srrA.24.28 read from T0136.t2k.frag # found chain 1srrA in template set T0136 24 :IHFVAEDDD 1srrA 29 :QTFQAANGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75265 Ang NE2(17) at -1.46204 16.0256 54.9548 in (null):H-9999 (2) and CG2(35) at -2.84035 18.3499 55.4791 in (null):V-9999 (4) Number of specific fragments= 1 total=797 # 2fsp.24.28 read from T0136.t2k.frag # found chain 2fsp in template set T0136 24 :IHFVAEDDD 2fsp 29 :QTFQAANGL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27769 Ang CA(61) at 10.846 -15.116 5.099 in (null):D-9999 (8) and CB(62) at 11.5952 -14.6339 4.18315 in (null):D-9999 (8) Number of specific fragments= 1 total=798 # 1jjuA.24.25 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 24 :IHFVAEDDD 1jjuA 26 :IDAARKTPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=799 # 1d9eA.24.24 read from T0136.t2k.frag # found chain 1d9eA in template set T0136 24 :IHFVAEDDD 1d9eA 1025 :MNVLESRDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38039 Ang CA(53) at 100.103 16.983 189.181 in (null):D-9999 (7) and CB(54) at 98.9814 17.4944 188.56 in (null):D-9999 (7) self-bump: 1.37143 Ang CA(11) at 112.7 20.382 191.09 in (null):H-9999 (2) and CB(12) at 113.891 19.7277 190.903 in (null):H-9999 (2) Number of specific fragments= 1 total=800 # 1ovoA.24.26 read from T0136.t2k.frag # adding 1ovoA to template set 1ovoA:# found chain 1ovoA in template set T0136 24 :IHFVAEDDD 1ovoA 27 :DNKTYSNKC Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57138 Ang O(8) at 48.78 43.966 11.524 in (null):I-9999 (1) and CD1(24) at 50.8243 42.9124 10.3739 in (null):F-9999 (3) other bump:2.77156 Ang CG1(5) at 51.7439 43.2434 12.9674 in (null):I-9999 (1) and CD1(24) at 50.8243 42.9124 10.3739 in (null):F-9999 (3) other bump:2.66966 Ang CD1(7) at 52.925 43.0854 12.0122 in (null):I-9999 (1) and CD1(24) at 50.8243 42.9124 10.3739 in (null):F-9999 (3) Number of specific fragments= 1 total=801 # 1dj7A.24.24 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 24 :IHFVAEDDD 1dj7A 25 :TDTYFCSDL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35027 Ang CD1(7) at 10.1614 21.8352 33.5725 in (null):I-9999 (1) and CE1(26) at 9.8398 23.4855 31.9303 in (null):F-9999 (3) other bump:2.1767 Ang CB(4) at 10.3436 24.3654 33.8564 in (null):I-9999 (1) and CE1(26) at 9.8398 23.4855 31.9303 in (null):F-9999 (3) other bump:2.46386 Ang CG1(5) at 9.70969 23.0666 34.3548 in (null):I-9999 (1) and CE1(26) at 9.8398 23.4855 31.9303 in (null):F-9999 (3) other bump:2.67761 Ang O(8) at 7.963 25.387 32.597 in (null):I-9999 (1) and CD1(24) at 8.94466 22.9099 32.8611 in (null):F-9999 (3) other bump:1.77241 Ang CD1(7) at 10.1614 21.8352 33.5725 in (null):I-9999 (1) and CD1(24) at 8.94466 22.9099 32.8611 in (null):F-9999 (3) other bump:2.25087 Ang CB(4) at 10.3436 24.3654 33.8564 in (null):I-9999 (1) and CD1(24) at 8.94466 22.9099 32.8611 in (null):F-9999 (3) other bump:1.68548 Ang CG1(5) at 9.70969 23.0666 34.3548 in (null):I-9999 (1) and CD1(24) at 8.94466 22.9099 32.8611 in (null):F-9999 (3) other bump:2.36361 Ang CD1(7) at 10.1614 21.8352 33.5725 in (null):I-9999 (1) and CG(23) at 8.06761 21.8962 32.4775 in (null):F-9999 (3) other bump:2.75503 Ang CG1(5) at 9.70969 23.0666 34.3548 in (null):I-9999 (1) and CG(23) at 8.06761 21.8962 32.4775 in (null):F-9999 (3) other bump:3.09776 Ang CD1(7) at 10.1614 21.8352 33.5725 in (null):I-9999 (1) and CB(22) at 7.11272 21.2954 33.471 in (null):F-9999 (3) Number of specific fragments= 1 total=802 # 1srrA.25.29 read from T0136.t2k.frag # found chain 1srrA in template set T0136 25 :HFVAEDDDA 1srrA 30 :TFQAANGLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=803 # 2fsp.25.29 read from T0136.t2k.frag # found chain 2fsp in template set T0136 25 :HFVAEDDDA 2fsp 30 :TFQAANGLQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27769 Ang CA(53) at 10.846 -15.116 5.099 in (null):D-9999 (7) and CB(54) at 11.5952 -14.6339 4.18315 in (null):D-9999 (7) Number of specific fragments= 1 total=804 # 1dj7A.25.25 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 25 :HFVAEDDDA 1dj7A 26 :DTYFCSDLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67761 Ang O(0) at 7.963 25.387 32.597 in (null):G-9999 (0) and CD1(16) at 8.94466 22.9099 32.8611 in (null):F-9999 (2) Number of specific fragments= 1 total=805 # 1jjuA.25.26 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 25 :HFVAEDDDA 1jjuA 27 :DAARKTPEG Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.288 Ang CD(39) at 96.3692 4.19192 31.964 in (null):E-9999 (5) and CA(74) at 95.24 5.875 34.553 in (null):G-9999 (10) other bump:2.35717 Ang OE2(41) at 95.6366 4.20522 32.9372 in (null):E-9999 (5) and CA(74) at 95.24 5.875 34.553 in (null):G-9999 (10) other bump:2.82987 Ang CD(39) at 96.3692 4.19192 31.964 in (null):E-9999 (5) and N(73) at 95.912 6.552 33.457 in (null):G-9999 (10) other bump:2.41937 Ang OE2(41) at 95.6366 4.20522 32.9372 in (null):E-9999 (5) and N(73) at 95.912 6.552 33.457 in (null):G-9999 (10) other bump:2.85861 Ang CD(39) at 96.3692 4.19192 31.964 in (null):E-9999 (5) and C(72) at 95.259 6.801 32.327 in (null):A-9999 (9) other bump:2.69315 Ang OE2(41) at 95.6366 4.20522 32.9372 in (null):E-9999 (5) and C(72) at 95.259 6.801 32.327 in (null):A-9999 (9) other bump:2.82929 Ang CD(39) at 96.3692 4.19192 31.964 in (null):E-9999 (5) and CB(70) at 96.9547 6.57084 30.5488 in (null):A-9999 (9) other bump:2.46303 Ang OE1(40) at 95.9585 4.3255 30.7291 in (null):E-9999 (5) and CB(70) at 96.9547 6.57084 30.5488 in (null):A-9999 (9) other bump:3.08376 Ang CB(37) at 98.607 3.97328 30.728 in (null):E-9999 (5) and CB(70) at 96.9547 6.57084 30.5488 in (null):A-9999 (9) Number of specific fragments= 1 total=806 # 1ovoA.25.27 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 25 :HFVAEDDDA 1ovoA 28 :NKTYSNKCN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57137 Ang O(0) at 48.78 43.966 11.524 in (null):G-9999 (0) and CD1(16) at 50.8243 42.9124 10.3739 in (null):F-9999 (2) Number of specific fragments= 1 total=807 # 1d9eA.25.25 read from T0136.t2k.frag # found chain 1d9eA in template set T0136 25 :HFVAEDDDA 1d9eA 1026 :NVLESRDLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38039 Ang CA(45) at 100.103 16.983 189.181 in (null):D-9999 (6) and CB(46) at 98.9814 17.4944 188.56 in (null):D-9999 (6) Number of specific fragments= 1 total=808 # 1srrA.26.30 read from T0136.t2k.frag # found chain 1srrA in template set T0136 26 :FVAEDDDAA 1srrA 31 :FQAANGLQA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=809 # 2fsp.26.30 read from T0136.t2k.frag # found chain 2fsp in template set T0136 26 :FVAEDDDAA 2fsp 31 :FQAANGLQA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27769 Ang CA(43) at 10.846 -15.116 5.099 in (null):D-9999 (6) and CB(44) at 11.5952 -14.6339 4.18315 in (null):D-9999 (6) Number of specific fragments= 1 total=810 # 1dj7A.26.26 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 26 :FVAEDDDAA 1dj7A 27 :TYFCSDLSV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51312 Ang OE1(30) at 3.42626 8.74661 33.7897 in (null):E-9999 (4) and CB(65) at 4.241 7.726 34.554 in (null):A-9999 (9) other bump:2.69281 Ang CD(29) at 2.55678 9.09203 32.9576 in (null):E-9999 (4) and CB(65) at 4.241 7.726 34.554 in (null):A-9999 (9) Number of specific fragments= 1 total=811 # 1ovoA.26.28 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 26 :FVAEDDDAA 1ovoA 29 :KTYSNKCNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=812 # 1jjuA.26.27 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 26 :FVAEDDDAA 1jjuA 28 :AARKTPEGW Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35717 Ang OE2(31) at 95.6366 4.20522 32.9372 in (null):E-9999 (4) and CA(64) at 95.24 5.875 34.553 in (null):A-9999 (9) other bump:3.288 Ang CD(29) at 96.3692 4.19192 31.964 in (null):E-9999 (4) and CA(64) at 95.24 5.875 34.553 in (null):A-9999 (9) other bump:2.41937 Ang OE2(31) at 95.6366 4.20522 32.9372 in (null):E-9999 (4) and N(63) at 95.912 6.552 33.457 in (null):A-9999 (9) other bump:2.82987 Ang CD(29) at 96.3692 4.19192 31.964 in (null):E-9999 (4) and N(63) at 95.912 6.552 33.457 in (null):A-9999 (9) other bump:2.69315 Ang OE2(31) at 95.6366 4.20522 32.9372 in (null):E-9999 (4) and C(62) at 95.259 6.801 32.327 in (null):A-9999 (8) other bump:2.85861 Ang CD(29) at 96.3692 4.19192 31.964 in (null):E-9999 (4) and C(62) at 95.259 6.801 32.327 in (null):A-9999 (8) other bump:2.46303 Ang OE1(30) at 95.9585 4.3255 30.7291 in (null):E-9999 (4) and CB(60) at 96.9547 6.57085 30.5488 in (null):A-9999 (8) other bump:3.08376 Ang CB(27) at 98.607 3.97328 30.728 in (null):E-9999 (4) and CB(60) at 96.9547 6.57085 30.5488 in (null):A-9999 (8) other bump:2.82929 Ang CD(29) at 96.3692 4.19192 31.964 in (null):E-9999 (4) and CB(60) at 96.9547 6.57085 30.5488 in (null):A-9999 (8) neighbor-bump: 2.93105 Ang CD1(6) at 94.691 -5.34088 30.4695 in (null):F-9999 (1) and CG2(17) at 96.2329 -2.90684 29.9317 in (null):V-9999 (2) Number of specific fragments= 1 total=813 # 1d9eA.26.26 read from T0136.t2k.frag # found chain 1d9eA in template set T0136 26 :FVAEDDDAA 1d9eA 1027 :VLESRDLAM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38039 Ang CA(35) at 100.103 16.983 189.181 in (null):D-9999 (5) and CB(36) at 98.9814 17.4944 188.56 in (null):D-9999 (5) Number of specific fragments= 1 total=814 # 1srrA.27.31 read from T0136.t2k.frag # found chain 1srrA in template set T0136 27 :VAEDDDAAE 1srrA 32 :QAANGLQAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=815 # 2fsp.27.31 read from T0136.t2k.frag # found chain 2fsp in template set T0136 27 :VAEDDDAAE 2fsp 32 :QAANGLQAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27769 Ang CA(32) at 10.846 -15.116 5.099 in (null):D-9999 (5) and CB(33) at 11.5952 -14.6339 4.18315 in (null):D-9999 (5) Number of specific fragments= 1 total=816 # 1dj7A.27.27 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 27 :VAEDDDAAE 1dj7A 28 :YFCSDLSVT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51312 Ang OE1(19) at 3.42626 8.74661 33.7897 in (null):E-9999 (3) and CB(54) at 4.241 7.726 34.554 in (null):A-9999 (8) other bump:2.69281 Ang CD(18) at 2.55678 9.09203 32.9576 in (null):E-9999 (3) and CB(54) at 4.241 7.726 34.554 in (null):A-9999 (8) Number of specific fragments= 1 total=817 # 1jjuA.27.28 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 27 :VAEDDDAAE 1jjuA 29 :ARKTPEGWD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.288 Ang CD(18) at 96.3692 4.19192 31.964 in (null):E-9999 (3) and CA(53) at 95.24 5.875 34.553 in (null):A-9999 (8) other bump:2.35717 Ang OE2(20) at 95.6366 4.20522 32.9372 in (null):E-9999 (3) and CA(53) at 95.24 5.875 34.553 in (null):A-9999 (8) other bump:2.82987 Ang CD(18) at 96.3692 4.19192 31.964 in (null):E-9999 (3) and N(52) at 95.912 6.552 33.457 in (null):A-9999 (8) other bump:2.41937 Ang OE2(20) at 95.6366 4.20522 32.9372 in (null):E-9999 (3) and N(52) at 95.912 6.552 33.457 in (null):A-9999 (8) other bump:2.85861 Ang CD(18) at 96.3692 4.19192 31.964 in (null):E-9999 (3) and C(51) at 95.259 6.801 32.327 in (null):A-9999 (7) other bump:2.69315 Ang OE2(20) at 95.6366 4.20522 32.9372 in (null):E-9999 (3) and C(51) at 95.259 6.801 32.327 in (null):A-9999 (7) other bump:3.08376 Ang CB(16) at 98.607 3.97328 30.728 in (null):E-9999 (3) and CB(49) at 96.9547 6.57085 30.5488 in (null):A-9999 (7) other bump:2.46303 Ang OE1(19) at 95.9585 4.3255 30.7291 in (null):E-9999 (3) and CB(49) at 96.9547 6.57085 30.5488 in (null):A-9999 (7) other bump:2.82929 Ang CD(18) at 96.3692 4.19192 31.964 in (null):E-9999 (3) and CB(49) at 96.9547 6.57085 30.5488 in (null):A-9999 (7) Number of specific fragments= 1 total=818 # 1ovoA.27.29 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 27 :VAEDDDAAE 1ovoA 30 :TYSNKCNFC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=819 # 1gh2A.27.28 read from T0136.t2k.frag # adding 1gh2A to template set 1gh2A:# found chain 1gh2A in template set T0136 27 :VAEDDDAAE 1gh2A 30 :TMRGCGPCL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36602 Ang CA(40) at 46.146 18.539 2.917 in (null):D-9999 (6) and CB(41) at 45.447 17.6237 3.65162 in (null):D-9999 (6) Number of specific fragments= 1 total=820 # 1srrA.28.32 read from T0136.t2k.frag # found chain 1srrA in template set T0136 28 :AEDDDAAEL 1srrA 33 :AANGLQALD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=821 # 2fsp.28.32 read from T0136.t2k.frag # found chain 2fsp in template set T0136 28 :AEDDDAAEL 2fsp 33 :AANGLQALD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.4087 Ang O(30) at 10.337 -17.251 4.137 in (null):D-9999 (4) and OE1(55) at 10.7582 -17.9498 2.98867 in (null):E-9999 (8) other bump:2.39206 Ang C(31) at 10.964 -16.636 4.977 in (null):D-9999 (4) and OE1(55) at 10.7582 -17.9498 2.98867 in (null):E-9999 (8) other bump:2.45664 Ang O(30) at 10.337 -17.251 4.137 in (null):D-9999 (4) and CD(54) at 10.704 -17.7424 1.75817 in (null):E-9999 (8) self-bump: 1.27769 Ang CA(25) at 10.846 -15.116 5.099 in (null):D-9999 (4) and CB(26) at 11.5952 -14.6339 4.18315 in (null):D-9999 (4) Number of specific fragments= 1 total=822 # 1dj7A.28.28 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 28 :AEDDDAAEL 1dj7A 29 :FCSDLSVTA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69281 Ang CD(11) at 2.55678 9.09203 32.9576 in (null):E-9999 (2) and CB(47) at 4.241 7.726 34.554 in (null):A-9999 (7) other bump:1.51312 Ang OE1(12) at 3.42626 8.74661 33.7897 in (null):E-9999 (2) and CB(47) at 4.241 7.726 34.554 in (null):A-9999 (7) Number of specific fragments= 1 total=823 # 1jjuA.28.29 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 28 :AEDDDAAEL 1jjuA 30 :RKTPEGWDM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.288 Ang CD(11) at 96.3692 4.19192 31.964 in (null):E-9999 (2) and CA(46) at 95.24 5.875 34.553 in (null):A-9999 (7) other bump:2.35717 Ang OE2(13) at 95.6366 4.20522 32.9372 in (null):E-9999 (2) and CA(46) at 95.24 5.875 34.553 in (null):A-9999 (7) other bump:2.82987 Ang CD(11) at 96.3692 4.19192 31.964 in (null):E-9999 (2) and N(45) at 95.912 6.552 33.457 in (null):A-9999 (7) other bump:2.41937 Ang OE2(13) at 95.6366 4.20522 32.9372 in (null):E-9999 (2) and N(45) at 95.912 6.552 33.457 in (null):A-9999 (7) other bump:2.85861 Ang CD(11) at 96.3692 4.19192 31.964 in (null):E-9999 (2) and C(44) at 95.259 6.801 32.327 in (null):A-9999 (6) other bump:2.69315 Ang OE2(13) at 95.6366 4.20522 32.9372 in (null):E-9999 (2) and C(44) at 95.259 6.801 32.327 in (null):A-9999 (6) other bump:2.46303 Ang OE1(12) at 95.9585 4.3255 30.7291 in (null):E-9999 (2) and CB(42) at 96.9547 6.57085 30.5488 in (null):A-9999 (6) other bump:2.82929 Ang CD(11) at 96.3692 4.19192 31.964 in (null):E-9999 (2) and CB(42) at 96.9547 6.57085 30.5488 in (null):A-9999 (6) other bump:3.08376 Ang CB(9) at 98.607 3.97328 30.728 in (null):E-9999 (2) and CB(42) at 96.9547 6.57085 30.5488 in (null):A-9999 (6) Number of specific fragments= 1 total=824 # 1ovoA.28.30 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 28 :AEDDDAAEL 1ovoA 31 :YSNKCNFCN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=825 # 1gh2A.28.29 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 28 :AEDDDAAEL 1gh2A 31 :MRGCGPCLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36602 Ang CA(33) at 46.146 18.539 2.917 in (null):D-9999 (5) and CB(34) at 45.447 17.6237 3.65162 in (null):D-9999 (5) Number of specific fragments= 1 total=826 # 1srrA.29.33 read from T0136.t2k.frag # found chain 1srrA in template set T0136 29 :EDDDAAELI 1srrA 34 :ANGLQALDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=827 # 2fsp.29.33 read from T0136.t2k.frag # found chain 2fsp in template set T0136 29 :EDDDAAELI 2fsp 34 :ANGLQALDI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58594 Ang O(38) at 6.752 -20.216 6.078 in (null):A-9999 (5) and CD1(67) at 4.501 -20.774 7.222 in (null):I-9999 (9) other bump:1.4087 Ang O(25) at 10.337 -17.251 4.137 in (null):D-9999 (3) and OE1(50) at 10.7582 -17.9498 2.98867 in (null):E-9999 (7) other bump:2.39206 Ang C(26) at 10.964 -16.636 4.977 in (null):D-9999 (3) and OE1(50) at 10.7582 -17.9498 2.98867 in (null):E-9999 (7) other bump:2.45664 Ang O(25) at 10.337 -17.251 4.137 in (null):D-9999 (3) and CD(49) at 10.704 -17.7424 1.75817 in (null):E-9999 (7) self-bump: 1.27769 Ang CA(20) at 10.846 -15.116 5.099 in (null):D-9999 (3) and CB(21) at 11.5952 -14.6339 4.18315 in (null):D-9999 (3) neighbor-bump: 1.92143 Ang O(0) at 5.073 -13.144 9.005 in (null):G-9999 (0) and OE2(8) at 3.63694 -12.3851 10.0315 in (null):E-9999 (1) neighbor-bump: 1.63881 Ang O(0) at 5.073 -13.144 9.005 in (null):G-9999 (0) and OE1(7) at 5.3266 -13.6826 10.5319 in (null):E-9999 (1) neighbor-bump: 2.07453 Ang C(1) at 5.683 -14.079 8.527 in (null):G-9999 (0) and OE1(7) at 5.3266 -13.6826 10.5319 in (null):E-9999 (1) neighbor-bump: 1.26249 Ang O(0) at 5.073 -13.144 9.005 in (null):G-9999 (0) and CD(6) at 4.86211 -12.5975 10.1233 in (null):E-9999 (1) neighbor-bump: 1.94763 Ang O(0) at 5.073 -13.144 9.005 in (null):G-9999 (0) and CG(5) at 5.82705 -11.4987 9.72453 in (null):E-9999 (1) neighbor-bump: 2.84827 Ang C(1) at 5.683 -14.079 8.527 in (null):G-9999 (0) and CG(5) at 5.82705 -11.4987 9.72453 in (null):E-9999 (1) Number of specific fragments= 1 total=828 # 1dj7A.29.29 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 29 :EDDDAAELI 1dj7A 30 :CSDLSVTAV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.49807 Ang OE1(7) at 3.44992 8.73544 33.7798 in (null):E-9999 (1) and CB(42) at 4.241 7.726 34.554 in (null):A-9999 (6) other bump:2.24703 Ang CD(6) at 4.20148 9.64294 33.3823 in (null):E-9999 (1) and CB(42) at 4.241 7.726 34.554 in (null):A-9999 (6) other bump:2.6129 Ang OE2(8) at 5.36115 9.47165 32.9649 in (null):E-9999 (1) and CB(42) at 4.241 7.726 34.554 in (null):A-9999 (6) Number of specific fragments= 1 total=829 # 1jjuA.29.30 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 29 :EDDDAAELI 1jjuA 31 :KTPEGWDMT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64736 Ang OE2(8) at 95.6366 4.20521 32.9372 in (null):E-9999 (1) and CD1(67) at 93.5688 2.96322 31.8464 in (null):I-9999 (9) other bump:3.06038 Ang CD(6) at 96.3692 4.19191 31.964 in (null):E-9999 (1) and CD1(67) at 93.5688 2.96322 31.8464 in (null):I-9999 (9) other bump:2.35716 Ang OE2(8) at 95.6366 4.20521 32.9372 in (null):E-9999 (1) and CA(41) at 95.24 5.875 34.553 in (null):A-9999 (6) other bump:3.28799 Ang CD(6) at 96.3692 4.19191 31.964 in (null):E-9999 (1) and CA(41) at 95.24 5.875 34.553 in (null):A-9999 (6) other bump:2.41938 Ang OE2(8) at 95.6366 4.20521 32.9372 in (null):E-9999 (1) and N(40) at 95.912 6.552 33.457 in (null):A-9999 (6) other bump:2.82987 Ang CD(6) at 96.3692 4.19191 31.964 in (null):E-9999 (1) and N(40) at 95.912 6.552 33.457 in (null):A-9999 (6) other bump:2.69316 Ang OE2(8) at 95.6366 4.20521 32.9372 in (null):E-9999 (1) and C(39) at 95.259 6.801 32.327 in (null):A-9999 (5) other bump:2.85862 Ang CD(6) at 96.3692 4.19191 31.964 in (null):E-9999 (1) and C(39) at 95.259 6.801 32.327 in (null):A-9999 (5) other bump:3.08376 Ang CB(4) at 98.607 3.97328 30.728 in (null):E-9999 (1) and CB(37) at 96.9547 6.57084 30.5488 in (null):A-9999 (5) other bump:2.46304 Ang OE1(7) at 95.9585 4.32549 30.7292 in (null):E-9999 (1) and CB(37) at 96.9547 6.57084 30.5488 in (null):A-9999 (5) other bump:2.8293 Ang CD(6) at 96.3692 4.19191 31.964 in (null):E-9999 (1) and CB(37) at 96.9547 6.57084 30.5488 in (null):A-9999 (5) Number of specific fragments= 1 total=830 # 1gh2A.29.30 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 29 :EDDDAAELI 1gh2A 32 :RGCGPCLRI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36602 Ang CA(28) at 46.146 18.539 2.917 in (null):D-9999 (4) and CB(29) at 45.447 17.6237 3.65162 in (null):D-9999 (4) Number of specific fragments= 1 total=831 # 1ovoA.29.31 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 29 :EDDDAAELI 1ovoA 32 :SNKCNFCNA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=832 # 1srrA.30.34 read from T0136.t2k.frag # found chain 1srrA in template set T0136 30 :DDDAAELIA 1srrA 35 :NGLQALDIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=833 # 1dj7A.30.30 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 30 :DDDAAELIA 1dj7A 31 :SDLSVTAVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=834 # 2fsp.30.34 read from T0136.t2k.frag # found chain 2fsp in template set T0136 30 :DDDAAELIA 2fsp 35 :NGLQALDIV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58594 Ang O(29) at 6.752 -20.216 6.078 in (null):A-9999 (4) and CD1(58) at 4.501 -20.774 7.222 in (null):I-9999 (8) other bump:1.4087 Ang O(16) at 10.337 -17.251 4.137 in (null):D-9999 (2) and OE1(41) at 10.7582 -17.9498 2.98867 in (null):E-9999 (6) other bump:2.39206 Ang C(17) at 10.964 -16.636 4.977 in (null):D-9999 (2) and OE1(41) at 10.7582 -17.9498 2.98867 in (null):E-9999 (6) other bump:2.45664 Ang O(16) at 10.337 -17.251 4.137 in (null):D-9999 (2) and CD(40) at 10.704 -17.7424 1.75817 in (null):E-9999 (6) self-bump: 1.27769 Ang CA(11) at 10.846 -15.116 5.099 in (null):D-9999 (2) and CB(12) at 11.5952 -14.6339 4.18315 in (null):D-9999 (2) Number of specific fragments= 1 total=835 # 1jjuA.30.31 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 30 :DDDAAELIA 1jjuA 32 :TPEGWDMTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=836 # 1h80A.30.36 read from T0136.t2k.frag # adding 1h80A to template set 1h80A:Skipped atom 137, because occupancy 0.5 <= existing 0.500001 Skipped atom 138, because occupancy 0.5 <= existing 0.500001 Skipped atom 139, because occupancy 0.5 <= existing 0.500001 Skipped atom 140, because occupancy 0.5 <= existing 0.500001 Skipped atom 769, because occupancy 0.5 <= existing 0.500001 Skipped atom 770, because occupancy 0.5 <= existing 0.500001 Skipped atom 771, because occupancy 0.5 <= existing 0.500001 Skipped atom 772, because occupancy 0.5 <= existing 0.500001 Skipped atom 773, because occupancy 0.5 <= existing 0.500001 Skipped atom 774, because occupancy 0.5 <= existing 0.500001 Skipped atom 908, because occupancy 0.5 <= existing 0.500001 Skipped atom 909, because occupancy 0.5 <= existing 0.500001 Skipped atom 910, because occupancy 0.5 <= existing 0.500001 Skipped atom 911, because occupancy 0.5 <= existing 0.500001 Skipped atom 1454, because occupancy 0.5 <= existing 0.500001 Skipped atom 1455, because occupancy 0.5 <= existing 0.500001 Skipped atom 1456, because occupancy 0.5 <= existing 0.500001 Skipped atom 1457, because occupancy 0.5 <= existing 0.500001 Skipped atom 1458, because occupancy 0.5 <= existing 0.500001 Skipped atom 1459, because occupancy 0.5 <= existing 0.500001 Skipped atom 1945, because occupancy 0.5 <= existing 0.500001 Skipped atom 1952, because occupancy 0.5 <= existing 0.500001 Skipped atom 1999, because occupancy 0.5 <= existing 0.500001 Skipped atom 2000, because occupancy 0.5 <= existing 0.500001 Skipped atom 2196, because occupancy 0.5 <= existing 0.500001 Skipped atom 2755, because occupancy 0.5 <= existing 0.500001 Skipped atom 3287, because occupancy 0.5 <= existing 0.500001 Skipped atom 3288, because occupancy 0.5 <= existing 0.500001 Skipped atom 3289, because occupancy 0.5 <= existing 0.500001 Skipped atom 3290, because occupancy 0.5 <= existing 0.500001 Skipped atom 3369, because occupancy 0.5 <= existing 0.500001 # found chain 1h80A in template set T0136 30 :DDDAAELIA 1h80A 64 :DDSNALQRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=837 # 1bno.30.33 read from T0136.t2k.frag # found chain 1bno in template set T0136 30 :DDDAAELIA 1bno 34 :HKYNAYRKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=838 # 1dj7A.31.31 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 31 :DDAAELIAK 1dj7A 32 :DLSVTAVVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=839 # 1jjuA.31.32 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 31 :DDAAELIAK 1jjuA 33 :PEGWDMTVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=840 # 1srrA.31.35 read from T0136.t2k.frag # found chain 1srrA in template set T0136 31 :DDAAELIAK 1srrA 36 :GLQALDIVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=841 # 2fsp.31.35 read from T0136.t2k.frag # found chain 2fsp in template set T0136 31 :DDAAELIAK 2fsp 36 :GLQALDIVT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58594 Ang O(21) at 6.752 -20.216 6.078 in (null):A-9999 (3) and CD1(50) at 4.501 -20.774 7.222 in (null):I-9999 (7) other bump:1.4087 Ang O(8) at 10.337 -17.251 4.137 in (null):D-9999 (1) and OE1(33) at 10.7582 -17.9498 2.98867 in (null):E-9999 (5) other bump:2.39206 Ang C(9) at 10.964 -16.636 4.977 in (null):D-9999 (1) and OE1(33) at 10.7582 -17.9498 2.98867 in (null):E-9999 (5) other bump:2.45664 Ang O(8) at 10.337 -17.251 4.137 in (null):D-9999 (1) and CD(32) at 10.704 -17.7424 1.75817 in (null):E-9999 (5) Number of specific fragments= 1 total=842 # 1php.31.32 read from T0136.t2k.frag # found chain 1php in training set T0136 31 :DDAAELIAK 1php 33 :DDTRIRAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=843 # 1h80A.31.37 read from T0136.t2k.frag # found chain 1h80A in template set T0136 31 :DDAAELIAK 1h80A 65 :DSNALQRAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=844 # 1jjuA.32.33 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 32 :DAAELIAKK 1jjuA 34 :EGWDMTVTR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=845 # 1dj7A.32.32 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 32 :DAAELIAKK 1dj7A 33 :LSVTAVVIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=846 # 1bno.32.35 read from T0136.t2k.frag # found chain 1bno in template set T0136 32 :DAAELIAKK 1bno 36 :YNAYRKAAS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85855 Ang CG(32) at 66.3108 3.83913 -12.8133 in (null):L-9999 (5) and CE(64) at 67.9305 6.15578 -12.3878 in (null):K-9999 (9) other bump:2.55796 Ang CD1(33) at 67.8244 3.64234 -12.851 in (null):L-9999 (5) and CE(64) at 67.9305 6.15578 -12.3878 in (null):K-9999 (9) other bump:2.55061 Ang O(35) at 66.719 5.013 -9.777 in (null):L-9999 (5) and CG(62) at 68.3198 6.97367 -10.0912 in (null):K-9999 (9) Number of specific fragments= 1 total=847 # 1php.32.33 read from T0136.t2k.frag # found chain 1php in training set T0136 32 :DAAELIAKK 1php 34 :DTRIRAALP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21429 Ang CD2(34) at 48.7902 15.0412 18.0123 in (null):L-9999 (5) and NZ(56) at 49.6053 15.1172 15.9549 in (null):K-9999 (8) other bump:2.8678 Ang CD2(34) at 48.7902 15.0412 18.0123 in (null):L-9999 (5) and CE(55) at 48.6681 14.1102 15.3025 in (null):K-9999 (8) Number of specific fragments= 1 total=848 # 1qcrH.32.34 read from T0136.t2k.frag # adding 1qcrH to template set 1qcrH:# found chain 1qcrH in template set Number of specific fragments= 0 total=848 # 1srrA.32.36 read from T0136.t2k.frag # found chain 1srrA in template set T0136 32 :DAAELIAKK 1srrA 37 :LQALDIVTK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=849 # 1jjuA.33.34 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 33 :AAELIAKKL 1jjuA 35 :GWDMTVTRM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=850 # 1dj7A.33.33 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 33 :AAELIAKKL 1dj7A 34 :SVTAVVIEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=851 # 1bno.33.36 read from T0136.t2k.frag # found chain 1bno in template set T0136 33 :AAELIAKKL 1bno 37 :NAYRKAASV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=852 # 1qcrH.33.35 read from T0136.t2k.frag # found chain 1qcrH in template set Number of specific fragments= 0 total=852 # 1php.33.34 read from T0136.t2k.frag # found chain 1php in training set T0136 33 :AAELIAKKL 1php 35 :TRIRAALPT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21429 Ang CD2(26) at 48.7902 15.0412 18.0123 in (null):L-9999 (4) and NZ(48) at 49.6053 15.1172 15.9549 in (null):K-9999 (7) other bump:2.8678 Ang CD2(26) at 48.7902 15.0412 18.0123 in (null):L-9999 (4) and CE(47) at 48.6681 14.1102 15.3025 in (null):K-9999 (7) Number of specific fragments= 1 total=853 # 1h80A.33.39 read from T0136.t2k.frag # found chain 1h80A in template set T0136 33 :AAELIAKKL 1h80A 67 :NALQRAINA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=854 # 1jjuA.34.35 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 34 :AELIAKKLL 1jjuA 36 :WDMTVTRMM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=855 # 1bno.34.37 read from T0136.t2k.frag # found chain 1bno in template set T0136 34 :AELIAKKLL 1bno 38 :AYRKAASVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=856 # 1dj7A.34.34 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 34 :AELIAKKLL 1dj7A 35 :VTAVVIEGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=857 # 1php.34.35 read from T0136.t2k.frag # found chain 1php in training set T0136 34 :AELIAKKLL 1php 36 :RIRAALPTI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21429 Ang CD2(21) at 48.7902 15.0412 18.0123 in (null):L-9999 (3) and NZ(43) at 49.6053 15.1172 15.9549 in (null):K-9999 (6) other bump:2.8678 Ang CD2(21) at 48.7902 15.0412 18.0123 in (null):L-9999 (3) and CE(42) at 48.6681 14.1102 15.3025 in (null):K-9999 (6) Number of specific fragments= 1 total=858 # 1qcrH.34.36 read from T0136.t2k.frag # found chain 1qcrH in template set Number of specific fragments= 0 total=858 # 1h80A.34.40 read from T0136.t2k.frag # found chain 1h80A in template set T0136 34 :AELIAKKLL 1h80A 68 :ALQRAINAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=859 # 1jjuA.35.36 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 35 :ELIAKKLLS 1jjuA 37 :DMTVTRMMR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=860 # 1bno.35.38 read from T0136.t2k.frag # found chain 1bno in template set T0136 35 :ELIAKKLLS 1bno 39 :YRKAASVIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=861 # 1php.35.36 read from T0136.t2k.frag # found chain 1php in training set T0136 35 :ELIAKKLLS 1php 37 :IRAALPTIR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21429 Ang CD2(16) at 48.7902 15.0412 18.0123 in (null):L-9999 (2) and NZ(38) at 49.6053 15.1172 15.9549 in (null):K-9999 (5) other bump:2.8678 Ang CD2(16) at 48.7902 15.0412 18.0123 in (null):L-9999 (2) and CE(37) at 48.6681 14.1102 15.3025 in (null):K-9999 (5) Number of specific fragments= 1 total=862 # 1dj7A.35.35 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 35 :ELIAKKLLS 1dj7A 36 :TAVVIEGLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=863 # 1qcrH.35.37 read from T0136.t2k.frag # found chain 1qcrH in template set Number of specific fragments= 0 total=863 # 1ovoA.35.37 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 35 :ELIAKKLLS 1ovoA 38 :CNAVVESNG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19894 Ang C(26) at 59.534 42.484 16.135 in (null):I-9999 (3) and CG(53) at 58.184 45.2894 15.3997 in (null):L-9999 (7) other bump:2.18374 Ang O(25) at 59.615 43.708 15.869 in (null):I-9999 (3) and CG(53) at 58.184 45.2894 15.3997 in (null):L-9999 (7) Number of specific fragments= 1 total=864 # 1jjuA.36.37 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 36 :LIAKKLLSF 1jjuA 38 :MTVTRMMRN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.78318 Ang CG(35) at 85.3153 4.26808 31.2756 in (null):K-9999 (5) and CD2(68) at 82.6929 4.79318 30.5054 in (null):F-9999 (9) Number of specific fragments= 1 total=865 # 1bno.36.39 read from T0136.t2k.frag # found chain 1bno in template set T0136 36 :LIAKKLLSF 1bno 40 :RKAASVIAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=866 # 1php.36.37 read from T0136.t2k.frag # found chain 1php in training set T0136 36 :LIAKKLLSF 1php 38 :RAALPTIRY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21429 Ang CD2(7) at 48.7902 15.0412 18.0123 in (null):L-9999 (1) and NZ(29) at 49.6053 15.1172 15.9549 in (null):K-9999 (4) other bump:2.8678 Ang CD2(7) at 48.7902 15.0412 18.0123 in (null):L-9999 (1) and CE(28) at 48.6681 14.1102 15.3025 in (null):K-9999 (4) Number of specific fragments= 1 total=867 # 1dj7A.36.36 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 36 :LIAKKLLSF 1dj7A 37 :AVVIEGLAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=868 # 1ovoA.36.38 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 36 :LIAKKLLSF 1ovoA 39 :NAVVESNGT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18374 Ang O(16) at 59.615 43.708 15.869 in (null):I-9999 (2) and CG(44) at 58.184 45.2894 15.3997 in (null):L-9999 (6) other bump:3.19894 Ang C(17) at 59.534 42.484 16.135 in (null):I-9999 (2) and CG(44) at 58.184 45.2894 15.3997 in (null):L-9999 (6) Number of specific fragments= 1 total=869 # 3pmgA.36.36 read from T0136.t2k.frag # adding 3pmgA to template set 3pmgA:# found chain 3pmgA in template set T0136 36 :LIAKKLLSF 3pmgA 37 :NFIQSIIST Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36578 Ang O(39) at 16.64 60.86 70.059 in (null):K-9999 (5) and CE2(70) at 17.8412 62.6111 71.1019 in (null):F-9999 (9) other bump:3.03463 Ang C(40) at 17.336 59.857 69.932 in (null):K-9999 (5) and CE2(70) at 17.8412 62.6111 71.1019 in (null):F-9999 (9) other bump:2.53301 Ang O(39) at 16.64 60.86 70.059 in (null):K-9999 (5) and CD2(68) at 17.3691 63.2843 69.9727 in (null):F-9999 (9) other bump:3.07847 Ang CA(42) at 18.816 61.067 68.402 in (null):L-9999 (6) and CD2(68) at 17.3691 63.2843 69.9727 in (null):F-9999 (9) Number of specific fragments= 1 total=870 # 1jjuA.37.38 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 37 :IAKKLLSFL 1jjuA 39 :TVTRMMRNH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0106 Ang CG(27) at 85.3153 4.26808 31.2756 in (null):K-9999 (4) and CD2(60) at 82.5463 4.50297 30.1176 in (null):F-9999 (8) Number of specific fragments= 1 total=871 # 1bno.37.40 read from T0136.t2k.frag # found chain 1bno in template set T0136 37 :IAKKLLSFL 1bno 41 :KAASVIAKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=872 # 1php.37.38 read from T0136.t2k.frag # found chain 1php in training set T0136 37 :IAKKLLSFL 1php 39 :AALPTIRYL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=873 # 3pmgA.37.37 read from T0136.t2k.frag # found chain 3pmgA in template set T0136 37 :IAKKLLSFL 3pmgA 38 :FIQSIISTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=874 # 1dj7A.37.37 read from T0136.t2k.frag # found chain 1dj7A in template set T0136 37 :IAKKLLSFL 1dj7A 38 :VVIEGLARH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=875 # 1ovoA.37.39 read from T0136.t2k.frag # found chain 1ovoA in template set T0136 37 :IAKKLLSFL 1ovoA 40 :AVVESNGTL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26663 Ang CD1(37) at 56.9689 44.5318 15.9066 in (null):L-9999 (5) and CD2(71) at 55.803 42.589 15.968 in (null):L-9999 (9) other bump:2.74632 Ang CG2(6) at 57.6459 41.9958 14.0201 in (null):I-9999 (1) and CD2(71) at 55.803 42.589 15.968 in (null):L-9999 (9) other bump:2.4767 Ang CD1(37) at 56.9689 44.5318 15.9066 in (null):L-9999 (5) and CG(69) at 54.823 43.555 16.665 in (null):L-9999 (9) other bump:1.87507 Ang CD1(37) at 56.9689 44.5318 15.9066 in (null):L-9999 (5) and CB(68) at 55.413 44.97 16.857 in (null):L-9999 (9) other bump:3.19894 Ang C(9) at 59.534 42.484 16.135 in (null):I-9999 (1) and CG(36) at 58.184 45.2894 15.3997 in (null):L-9999 (5) other bump:2.18374 Ang O(8) at 59.615 43.708 15.869 in (null):I-9999 (1) and CG(36) at 58.184 45.2894 15.3997 in (null):L-9999 (5) Number of specific fragments= 1 total=876 # 1jjuA.38.39 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 38 :AKKLLSFLP 1jjuA 40 :VTRMMRNHG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97125 Ang C(65) at 79.979 1.972 37.431 in (null):L-9999 (8) and CD(70) at 78.0558 2.40118 37.4866 in (null):P-9999 (9) self-bump: 2.1524 Ang CA(67) at 79.04 3.622 38.961 in (null):P-9999 (9) and CD(70) at 78.0558 2.40118 37.4866 in (null):P-9999 (9) other bump:3.0106 Ang CG(19) at 85.3153 4.26808 31.2756 in (null):K-9999 (3) and CD2(52) at 82.5463 4.50297 30.1176 in (null):F-9999 (7) Number of specific fragments= 1 total=877 # 1bno.38.41 read from T0136.t2k.frag # found chain 1bno in template set T0136 38 :AKKLLSFLP 1bno 42 :AASVIAKYP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=878 # 3pmgA.38.38 read from T0136.t2k.frag # found chain 3pmgA in template set T0136 38 :AKKLLSFLP 3pmgA 39 :IQSIISTVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=879 # 1php.38.39 read from T0136.t2k.frag # found chain 1php in training set T0136 38 :AKKLLSFLP 1php 40 :ALPTIRYLI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.54055 Ang O(39) at 47.262 6.892 7.683 in (null):L-9999 (5) and CD(70) at 47.3461 6.77505 6.1492 in (null):P-9999 (9) other bump:2.74384 Ang C(40) at 47.622 7.114 8.858 in (null):L-9999 (5) and CD(70) at 47.3461 6.77505 6.1492 in (null):P-9999 (9) other bump:3.02741 Ang C(46) at 50.131 6.959 7.322 in (null):S-9999 (6) and CD(70) at 47.3461 6.77505 6.1492 in (null):P-9999 (9) other bump:2.28146 Ang O(39) at 47.262 6.892 7.683 in (null):L-9999 (5) and CG(69) at 46.7711 8.14489 5.84063 in (null):P-9999 (9) Number of specific fragments= 1 total=880 # 1eguA.38.41 read from T0136.t2k.frag # found chain 1eguA in training set T0136 38 :AKKLLSFLP 1eguA 209 :VADSLSSIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54838 Ang O(23) at 0.184 11.431 23.426 in (null):K-9999 (3) and CD1(51) at 0.85134 12.1587 25.7753 in (null):F-9999 (7) Number of specific fragments= 1 total=881 # 1pxtB.38.39 read from T0136.t2k.frag # adding 1pxtB to template set 1pxtB:# found chain 1pxtB in template set T0136 38 :AKKLLSFLP 1pxtB 67 :LNEFIGRFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=882 # 1bno.39.42 read from T0136.t2k.frag # found chain 1bno in template set T0136 39 :KKLLSFLPQ 1bno 43 :ASVIAKYPH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=883 # 1jjuA.39.40 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 39 :KKLLSFLPQ 1jjuA 41 :TRMMRNHGV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88587 Ang CD2(33) at 84.2755 6.33066 41.1192 in (null):L-9999 (4) and C(76) at 82.328 4.352 41.907 in (null):Q-9999 (9) other bump:1.70488 Ang CD2(33) at 84.2755 6.33066 41.1192 in (null):L-9999 (4) and O(75) at 82.945 5.325 41.473 in (null):Q-9999 (9) neighbor-bump: 1.97125 Ang C(60) at 79.979 1.972 37.431 in (null):L-9999 (7) and CD(65) at 78.0558 2.40119 37.4866 in (null):P-9999 (8) self-bump: 2.1524 Ang CA(62) at 79.04 3.622 38.961 in (null):P-9999 (8) and CD(65) at 78.0558 2.40119 37.4866 in (null):P-9999 (8) other bump:3.01062 Ang CG(14) at 85.3153 4.26808 31.2756 in (null):K-9999 (2) and CD2(47) at 82.5462 4.50298 30.1176 in (null):F-9999 (6) Number of specific fragments= 1 total=884 # 3pmgA.39.39 read from T0136.t2k.frag # found chain 3pmgA in template set T0136 39 :KKLLSFLPQ 3pmgA 40 :QSIISTVEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=885 # 1eguA.39.42 read from T0136.t2k.frag # found chain 1eguA in training set T0136 39 :KKLLSFLPQ 1eguA 210 :ADSLSSISS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54838 Ang O(18) at 0.184 11.431 23.426 in (null):K-9999 (2) and CD1(46) at 0.85134 12.1587 25.7753 in (null):F-9999 (6) Number of specific fragments= 1 total=886 # 1php.39.40 read from T0136.t2k.frag # found chain 1php in training set T0136 39 :KKLLSFLPQ 1php 41 :LPTIRYLIE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.54055 Ang O(34) at 47.262 6.892 7.683 in (null):L-9999 (4) and CD(65) at 47.3461 6.77505 6.1492 in (null):P-9999 (8) other bump:2.74383 Ang C(35) at 47.622 7.114 8.858 in (null):L-9999 (4) and CD(65) at 47.3461 6.77505 6.1492 in (null):P-9999 (8) other bump:3.02741 Ang C(41) at 50.131 6.959 7.322 in (null):S-9999 (5) and CD(65) at 47.3461 6.77505 6.1492 in (null):P-9999 (8) other bump:2.28146 Ang O(34) at 47.262 6.892 7.683 in (null):L-9999 (4) and CG(64) at 46.7711 8.14489 5.84063 in (null):P-9999 (8) Number of specific fragments= 1 total=887 # 1jztA.39.40 read from T0136.t2k.frag # adding 1jztA to template set 1jztA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1jztA in template set T0136 39 :KKLLSFLPQ 1jztA 41 :QAVCRQFPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=888 # 1bno.40.43 read from T0136.t2k.frag # found chain 1bno in template set T0136 40 :KLLSFLPQN 1bno 44 :SVIAKYPHK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43378 Ang C(67) at 72.896 6.712 4.488 in (null):Q-9999 (8) and CB(70) at 73.7608 6.35017 6.73399 in (null):N-9999 (9) neighbor-bump: 2.11828 Ang O(66) at 73.017 7.657 5.242 in (null):Q-9999 (8) and CB(70) at 73.7608 6.35017 6.73399 in (null):N-9999 (9) neighbor-bump: 2.35284 Ang CB(61) at 72.8963 5.72022 2.59094 in (null):Q-9999 (8) and N(68) at 72.648 5.508 4.921 in (null):N-9999 (9) self-bump: 2.14067 Ang CB(61) at 72.8963 5.72022 2.59094 in (null):Q-9999 (8) and C(67) at 72.896 6.712 4.488 in (null):Q-9999 (8) self-bump: 1.22359 Ang CA(60) at 73.014 6.875 2.978 in (null):Q-9999 (8) and CB(61) at 72.8963 5.72022 2.59094 in (null):Q-9999 (8) Number of specific fragments= 1 total=889 # 1jjuA.40.41 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 40 :KLLSFLPQN 1jjuA 42 :RMMRNHGVA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88587 Ang CD2(24) at 84.2755 6.33065 41.1192 in (null):L-9999 (3) and C(67) at 82.328 4.352 41.907 in (null):Q-9999 (8) other bump:1.70488 Ang CD2(24) at 84.2755 6.33065 41.1192 in (null):L-9999 (3) and O(66) at 82.945 5.325 41.473 in (null):Q-9999 (8) neighbor-bump: 1.97125 Ang C(51) at 79.979 1.972 37.431 in (null):L-9999 (6) and CD(56) at 78.0558 2.40119 37.4866 in (null):P-9999 (7) self-bump: 2.1524 Ang CA(53) at 79.04 3.622 38.961 in (null):P-9999 (7) and CD(56) at 78.0558 2.40119 37.4866 in (null):P-9999 (7) other bump:2.86086 Ang CG(5) at 85.1851 4.39845 31.2177 in (null):K-9999 (1) and CD2(38) at 82.5462 4.50298 30.1176 in (null):F-9999 (5) Number of specific fragments= 1 total=890 # 1eguA.40.43 read from T0136.t2k.frag # found chain 1eguA in training set T0136 40 :KLLSFLPQN 1eguA 211 :DSLSSISSQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54838 Ang O(9) at 0.184 11.431 23.426 in (null):K-9999 (1) and CD1(37) at 0.85134 12.1587 25.7753 in (null):F-9999 (5) Number of specific fragments= 1 total=891 # 3pmgA.40.40 read from T0136.t2k.frag # found chain 3pmgA in template set T0136 40 :KLLSFLPQN 3pmgA 41 :SIISTVEPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=892 # 1php.40.41 read from T0136.t2k.frag # found chain 1php in training set T0136 40 :KLLSFLPQN 1php 42 :PTIRYLIEH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74999 Ang CE1(39) at 51.263 0.239 6.185 in (null):F-9999 (5) and ND2(72) at 51.9004 1.13523 3.66449 in (null):N-9999 (9) other bump:2.79568 Ang CZ(41) at 52.664 0.061 6.13 in (null):F-9999 (5) and ND2(72) at 51.9004 1.13523 3.66449 in (null):N-9999 (9) other bump:1.54055 Ang O(25) at 47.262 6.892 7.683 in (null):L-9999 (3) and CD(56) at 47.3461 6.77505 6.1492 in (null):P-9999 (7) other bump:2.74383 Ang C(26) at 47.622 7.114 8.858 in (null):L-9999 (3) and CD(56) at 47.3461 6.77505 6.1492 in (null):P-9999 (7) other bump:3.02741 Ang C(32) at 50.131 6.959 7.322 in (null):S-9999 (4) and CD(56) at 47.3461 6.77505 6.1492 in (null):P-9999 (7) other bump:2.28146 Ang O(25) at 47.262 6.892 7.683 in (null):L-9999 (3) and CG(55) at 46.7711 8.14489 5.84063 in (null):P-9999 (7) Number of specific fragments= 1 total=893 # 1jztA.40.41 read from T0136.t2k.frag # found chain 1jztA in template set T0136 40 :KLLSFLPQN 1jztA 42 :AVCRQFPLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=894 # 1bno.41.44 read from T0136.t2k.frag # found chain 1bno in template set T0136 41 :LLSFLPQNN 1bno 45 :VIAKYPHKI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11827 Ang O(57) at 73.017 7.657 5.242 in (null):Q-9999 (7) and CB(61) at 73.7608 6.35018 6.73398 in (null):N-9999 (8) neighbor-bump: 2.43377 Ang C(58) at 72.896 6.712 4.488 in (null):Q-9999 (7) and CB(61) at 73.7608 6.35018 6.73398 in (null):N-9999 (8) neighbor-bump: 2.35284 Ang CB(52) at 72.8963 5.72022 2.59094 in (null):Q-9999 (7) and N(59) at 72.648 5.508 4.921 in (null):N-9999 (8) self-bump: 2.14067 Ang CB(52) at 72.8963 5.72022 2.59094 in (null):Q-9999 (7) and C(58) at 72.896 6.712 4.488 in (null):Q-9999 (7) self-bump: 1.22359 Ang CA(51) at 73.014 6.875 2.978 in (null):Q-9999 (7) and CB(52) at 72.8963 5.72022 2.59094 in (null):Q-9999 (7) Number of specific fragments= 1 total=895 # 1jjuA.41.42 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 41 :LLSFLPQNN 1jjuA 43 :MMRNHGVAL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.98426 Ang CD2(15) at 84.2755 6.33065 41.1192 in (null):L-9999 (2) and ND2(71) at 85.6013 5.2653 42.1412 in (null):N-9999 (9) other bump:2.88587 Ang CD2(15) at 84.2755 6.33065 41.1192 in (null):L-9999 (2) and C(58) at 82.328 4.352 41.907 in (null):Q-9999 (7) other bump:1.70489 Ang CD2(15) at 84.2755 6.33065 41.1192 in (null):L-9999 (2) and O(57) at 82.945 5.325 41.473 in (null):Q-9999 (7) neighbor-bump: 1.97125 Ang C(42) at 79.979 1.972 37.431 in (null):L-9999 (5) and CD(47) at 78.0558 2.40119 37.4866 in (null):P-9999 (6) self-bump: 2.1524 Ang CA(44) at 79.04 3.622 38.961 in (null):P-9999 (6) and CD(47) at 78.0558 2.40119 37.4866 in (null):P-9999 (6) Number of specific fragments= 1 total=896 # 1eguA.41.44 read from T0136.t2k.frag # found chain 1eguA in training set T0136 41 :LLSFLPQNN 1eguA 212 :SLSSISSQA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.87787 Ang CA(44) at 8.215 14.723 19.999 in (null):P-9999 (6) and ND2(63) at 11.04 14.5811 19.4688 in (null):N-9999 (8) other bump:1.91374 Ang CB(45) at 9.52145 14.5461 20.6328 in (null):P-9999 (6) and ND2(63) at 11.04 14.5811 19.4688 in (null):N-9999 (8) other bump:2.88241 Ang CB(45) at 9.52145 14.5461 20.6328 in (null):P-9999 (6) and CG(62) at 11.661 15.6835 19.0718 in (null):N-9999 (8) other bump:2.89147 Ang CD1(6) at 3.48786 7.65222 21.2442 in (null):L-9999 (1) and CD2(40) at 5.53968 9.36912 20.1474 in (null):L-9999 (5) other bump:2.54838 Ang O(0) at 0.184 11.431 23.426 in (null):G-9999 (0) and CD1(28) at 0.85134 12.1587 25.7753 in (null):F-9999 (4) Number of specific fragments= 1 total=897 # 1php.41.42 read from T0136.t2k.frag # found chain 1php in training set T0136 41 :LLSFLPQNN 1php 43 :TIRYLIEHG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73711 Ang CE1(30) at 51.263 0.239 6.185 in (null):F-9999 (4) and ND2(63) at 51.9108 1.39126 3.78824 in (null):N-9999 (8) other bump:2.79656 Ang CZ(32) at 52.664 0.061 6.13 in (null):F-9999 (4) and ND2(63) at 51.9108 1.39126 3.78824 in (null):N-9999 (8) other bump:1.54055 Ang O(16) at 47.262 6.892 7.683 in (null):L-9999 (2) and CD(47) at 47.3461 6.77505 6.1492 in (null):P-9999 (6) other bump:2.74383 Ang C(17) at 47.622 7.114 8.858 in (null):L-9999 (2) and CD(47) at 47.3461 6.77505 6.1492 in (null):P-9999 (6) other bump:3.02741 Ang C(23) at 50.131 6.959 7.322 in (null):S-9999 (3) and CD(47) at 47.3461 6.77505 6.1492 in (null):P-9999 (6) other bump:2.28146 Ang O(16) at 47.262 6.892 7.683 in (null):L-9999 (2) and CG(46) at 46.7711 8.14489 5.84063 in (null):P-9999 (6) Number of specific fragments= 1 total=898 # 1jztA.41.42 read from T0136.t2k.frag # found chain 1jztA in template set T0136 41 :LLSFLPQNN 1jztA 43 :VCRQFPLRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33383 Ang CA(68) at 72.293 23.387 23.282 in (null):N-9999 (9) and CB(69) at 72.6175 23.3418 24.575 in (null):N-9999 (9) Number of specific fragments= 1 total=899 # 5pal.41.45 read from T0136.t2k.frag # found chain 5pal in training set T0136 41 :LLSFLPQNN 5pal 46 :VFEILDKDQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8775 Ang C(17) at -15.878 21.583 13.336 in (null):L-9999 (2) and CD(47) at -13.1346 21.2039 14.1172 in (null):P-9999 (6) other bump:1.70472 Ang O(16) at -14.779 21.141 13.672 in (null):L-9999 (2) and CD(47) at -13.1346 21.2039 14.1172 in (null):P-9999 (6) self-bump: 1.39468 Ang CA(44) at -10.946 21.258 14.771 in (null):P-9999 (6) and CB(45) at -10.9654 21.8716 13.5187 in (null):P-9999 (6) Number of specific fragments= 1 total=900 # 1bno.42.45 read from T0136.t2k.frag # found chain 1bno in template set T0136 42 :LSFLPQNNT 1bno 46 :IAKYPHKIK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43377 Ang C(50) at 72.896 6.712 4.488 in (null):Q-9999 (6) and CB(53) at 73.7608 6.35018 6.73398 in (null):N-9999 (7) neighbor-bump: 2.11827 Ang O(49) at 73.017 7.657 5.242 in (null):Q-9999 (6) and CB(53) at 73.7608 6.35018 6.73398 in (null):N-9999 (7) neighbor-bump: 2.35284 Ang CB(44) at 72.8963 5.72022 2.59094 in (null):Q-9999 (6) and N(51) at 72.648 5.508 4.921 in (null):N-9999 (7) self-bump: 2.14067 Ang CB(44) at 72.8963 5.72022 2.59094 in (null):Q-9999 (6) and C(50) at 72.896 6.712 4.488 in (null):Q-9999 (6) self-bump: 1.22359 Ang CA(43) at 73.014 6.875 2.978 in (null):Q-9999 (6) and CB(44) at 72.8963 5.72022 2.59094 in (null):Q-9999 (6) Number of specific fragments= 1 total=901 # 1eguA.42.45 read from T0136.t2k.frag # found chain 1eguA in training set T0136 42 :LSFLPQNNT 1eguA 213 :LSSISSQAD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04947 Ang CB(53) at 12.141 15.7032 17.6391 in (null):N-9999 (7) and N(74) at 15.038 14.751 17.621 in (null):G-9999 (10) neighbor-bump: 2.02539 Ang O(65) at 16.059 17.363 14.765 in (null):N-9999 (8) and OG1(71) at 17.3702 15.9282 14.1954 in (null):T-9999 (9) neighbor-bump: 2.70065 Ang C(66) at 14.908 16.969 14.58 in (null):N-9999 (8) and OG1(71) at 17.3702 15.9282 14.1954 in (null):T-9999 (9) other bump:2.87787 Ang CA(36) at 8.215 14.723 19.999 in (null):P-9999 (5) and ND2(55) at 11.04 14.5811 19.4688 in (null):N-9999 (7) other bump:1.91374 Ang CB(37) at 9.52145 14.5461 20.6328 in (null):P-9999 (5) and ND2(55) at 11.04 14.5811 19.4688 in (null):N-9999 (7) other bump:2.88241 Ang CB(37) at 9.52145 14.5461 20.6328 in (null):P-9999 (5) and CG(54) at 11.661 15.6835 19.0718 in (null):N-9999 (7) Number of specific fragments= 1 total=902 # 1php.42.43 read from T0136.t2k.frag # found chain 1php in training set T0136 42 :LSFLPQNNT 1php 44 :IRYLIEHGA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07536 Ang C(34) at 47.386 4.841 4.451 in (null):L-9999 (4) and CG2(70) at 44.5938 3.71471 3.82422 in (null):T-9999 (9) other bump:2.73711 Ang CE1(22) at 51.263 0.239 6.185 in (null):F-9999 (3) and ND2(55) at 51.9108 1.39126 3.78824 in (null):N-9999 (7) other bump:2.79656 Ang CZ(24) at 52.664 0.061 6.13 in (null):F-9999 (3) and ND2(55) at 51.9108 1.39126 3.78824 in (null):N-9999 (7) other bump:1.54055 Ang O(8) at 47.262 6.892 7.683 in (null):L-9999 (1) and CD(39) at 47.3461 6.77505 6.1492 in (null):P-9999 (5) other bump:2.74383 Ang C(9) at 47.622 7.114 8.858 in (null):L-9999 (1) and CD(39) at 47.3461 6.77505 6.1492 in (null):P-9999 (5) other bump:3.02741 Ang C(15) at 50.131 6.959 7.322 in (null):S-9999 (2) and CD(39) at 47.3461 6.77505 6.1492 in (null):P-9999 (5) other bump:2.28146 Ang O(8) at 47.262 6.892 7.683 in (null):L-9999 (1) and CG(38) at 46.7711 8.14489 5.84063 in (null):P-9999 (5) Number of specific fragments= 1 total=903 # 1jjuA.42.43 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 42 :LSFLPQNNT 1jjuA 44 :MRNHGVALE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36355 Ang CD2(7) at 84.2755 6.33065 41.1192 in (null):L-9999 (1) and ND2(63) at 85.9216 5.07427 42.2585 in (null):N-9999 (8) other bump:2.88588 Ang CD2(7) at 84.2755 6.33065 41.1192 in (null):L-9999 (1) and C(50) at 82.328 4.352 41.907 in (null):Q-9999 (6) other bump:1.70489 Ang CD2(7) at 84.2755 6.33065 41.1192 in (null):L-9999 (1) and O(49) at 82.945 5.325 41.473 in (null):Q-9999 (6) neighbor-bump: 1.97125 Ang C(34) at 79.979 1.972 37.431 in (null):L-9999 (4) and CD(39) at 78.0558 2.40119 37.4866 in (null):P-9999 (5) self-bump: 2.1524 Ang CA(36) at 79.04 3.622 38.961 in (null):P-9999 (5) and CD(39) at 78.0558 2.40119 37.4866 in (null):P-9999 (5) Number of specific fragments= 1 total=904 # 5pal.42.46 read from T0136.t2k.frag # found chain 5pal in training set T0136 42 :LSFLPQNNT 5pal 47 :FEILDKDQS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7942 Ang CG(54) at -5.09632 23.0142 15.3801 in (null):N-9999 (7) and CG2(70) at -4.56943 24.538 13.098 in (null):T-9999 (9) other bump:2.33266 Ang ND2(55) at -3.94002 22.9573 14.6938 in (null):N-9999 (7) and CG2(70) at -4.56943 24.538 13.098 in (null):T-9999 (9) other bump:2.8775 Ang C(9) at -15.878 21.583 13.336 in (null):L-9999 (1) and CD(39) at -13.1346 21.2039 14.1172 in (null):P-9999 (5) other bump:1.70472 Ang O(8) at -14.779 21.141 13.672 in (null):L-9999 (1) and CD(39) at -13.1346 21.2039 14.1172 in (null):P-9999 (5) self-bump: 1.39468 Ang CA(36) at -10.946 21.258 14.771 in (null):P-9999 (5) and CB(37) at -10.9654 21.8716 13.5187 in (null):P-9999 (5) Number of specific fragments= 1 total=905 # 1jztA.42.43 read from T0136.t2k.frag # found chain 1jztA in template set T0136 42 :LSFLPQNNT 1jztA 44 :CRQFPLRGK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37838 Ang CA(60) at 72.293 23.387 23.282 in (null):N-9999 (8) and CB(61) at 72.5444 23.1863 24.6223 in (null):N-9999 (8) Number of specific fragments= 1 total=906 # 1php.43.44 read from T0136.t2k.frag # found chain 1php in training set T0136 43 :SFLPQNNTE 1php 45 :RYLIEHGAK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35374 Ang CA(67) at 40.693 4.445 1.4 in (null):E-9999 (9) and CB(68) at 39.7798 4.47247 0.401002 in (null):E-9999 (9) other bump:2.73711 Ang CE1(14) at 51.263 0.239 6.185 in (null):F-9999 (2) and ND2(47) at 51.9108 1.39126 3.78824 in (null):N-9999 (6) other bump:2.79656 Ang CZ(16) at 52.664 0.061 6.13 in (null):F-9999 (2) and ND2(47) at 51.9108 1.39126 3.78824 in (null):N-9999 (6) other bump:1.54055 Ang O(0) at 47.262 6.892 7.683 in (null):G-9999 (0) and CD(31) at 47.3461 6.77505 6.1492 in (null):P-9999 (4) other bump:2.74383 Ang C(1) at 47.622 7.114 8.858 in (null):G-9999 (0) and CD(31) at 47.3461 6.77505 6.1492 in (null):P-9999 (4) other bump:3.02741 Ang C(7) at 50.131 6.959 7.322 in (null):S-9999 (1) and CD(31) at 47.3461 6.77505 6.1492 in (null):P-9999 (4) other bump:2.28146 Ang O(0) at 47.262 6.892 7.683 in (null):G-9999 (0) and CG(30) at 46.7711 8.14489 5.84063 in (null):P-9999 (4) Number of specific fragments= 1 total=907 # 1eguA.43.46 read from T0136.t2k.frag # found chain 1eguA in training set T0136 43 :SFLPQNNTE 1eguA 214 :SSISSQADR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.50241 Ang CG(69) at 14.001 14.346 21.1845 in (null):E-9999 (9) and N(75) at 16.377 13.651 20.819 in (null):G-9999 (10) other bump:2.96684 Ang CB(45) at 12.141 15.7032 17.6391 in (null):N-9999 (6) and CB(68) at 13.8901 14.4658 19.6914 in (null):E-9999 (9) other bump:2.61443 Ang CG(46) at 11.661 15.6835 19.0718 in (null):N-9999 (6) and CB(68) at 13.8901 14.4658 19.6914 in (null):E-9999 (9) other bump:3.04947 Ang CB(45) at 12.141 15.7032 17.6391 in (null):N-9999 (6) and N(66) at 15.038 14.751 17.621 in (null):E-9999 (9) other bump:2.87787 Ang CA(28) at 8.215 14.723 19.999 in (null):P-9999 (4) and ND2(47) at 11.04 14.5811 19.4688 in (null):N-9999 (6) other bump:1.91374 Ang CB(29) at 9.52145 14.5461 20.6328 in (null):P-9999 (4) and ND2(47) at 11.04 14.5811 19.4688 in (null):N-9999 (6) other bump:2.88241 Ang CB(29) at 9.52145 14.5461 20.6328 in (null):P-9999 (4) and CG(46) at 11.661 15.6835 19.0718 in (null):N-9999 (6) Number of specific fragments= 1 total=908 # 1bno.43.46 read from T0136.t2k.frag # found chain 1bno in template set T0136 43 :SFLPQNNTE 1bno 47 :AKYPHKIKS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11827 Ang O(41) at 73.017 7.657 5.242 in (null):Q-9999 (5) and CB(45) at 73.7608 6.35018 6.73398 in (null):N-9999 (6) neighbor-bump: 2.43377 Ang C(42) at 72.896 6.712 4.488 in (null):Q-9999 (5) and CB(45) at 73.7608 6.35018 6.73398 in (null):N-9999 (6) neighbor-bump: 2.35284 Ang CB(36) at 72.8963 5.72022 2.59094 in (null):Q-9999 (5) and N(43) at 72.648 5.508 4.921 in (null):N-9999 (6) self-bump: 2.14067 Ang CB(36) at 72.8963 5.72022 2.59094 in (null):Q-9999 (5) and C(42) at 72.896 6.712 4.488 in (null):Q-9999 (5) self-bump: 1.22359 Ang CA(35) at 73.014 6.875 2.978 in (null):Q-9999 (5) and CB(36) at 72.8963 5.72022 2.59094 in (null):Q-9999 (5) Number of specific fragments= 1 total=909 # 5pal.43.47 read from T0136.t2k.frag # found chain 5pal in training set T0136 43 :SFLPQNNTE 5pal 48 :EILDKDQSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51922 Ang CG(46) at -5.09632 23.0142 15.3801 in (null):N-9999 (6) and OG1(63) at -4.79452 24.4791 13.353 in (null):T-9999 (8) other bump:2.20091 Ang ND2(47) at -3.94002 22.9573 14.6938 in (null):N-9999 (6) and OG1(63) at -4.79452 24.4791 13.353 in (null):T-9999 (8) other bump:1.70472 Ang O(0) at -14.779 21.141 13.672 in (null):G-9999 (0) and CD(31) at -13.1346 21.2039 14.1172 in (null):P-9999 (4) other bump:2.8775 Ang C(1) at -15.878 21.583 13.336 in (null):G-9999 (0) and CD(31) at -13.1346 21.2039 14.1172 in (null):P-9999 (4) self-bump: 1.39468 Ang CA(28) at -10.946 21.258 14.771 in (null):P-9999 (4) and CB(29) at -10.9654 21.8716 13.5187 in (null):P-9999 (4) Number of specific fragments= 1 total=910 # 1jjuA.43.44 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 43 :SFLPQNNTE 1jjuA 45 :RNHGVALEP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97124 Ang C(26) at 79.979 1.972 37.431 in (null):L-9999 (3) and CD(31) at 78.0558 2.40119 37.4866 in (null):P-9999 (4) self-bump: 2.15239 Ang CA(28) at 79.04 3.622 38.961 in (null):P-9999 (4) and CD(31) at 78.0558 2.40119 37.4866 in (null):P-9999 (4) Number of specific fragments= 1 total=911 # 1jztA.43.44 read from T0136.t2k.frag # found chain 1jztA in template set T0136 43 :SFLPQNNTE 1jztA 45 :RQFPLRGKT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37838 Ang CA(52) at 72.293 23.387 23.282 in (null):N-9999 (7) and CB(53) at 72.5444 23.1863 24.6223 in (null):N-9999 (7) Number of specific fragments= 1 total=912 # 1php.44.45 read from T0136.t2k.frag # found chain 1php in training set T0136 44 :FLPQNNTEE 1php 46 :YLIEHGAKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73711 Ang CE1(8) at 51.263 0.239 6.185 in (null):F-9999 (1) and ND2(41) at 51.9108 1.39126 3.78824 in (null):N-9999 (5) other bump:2.79656 Ang CZ(10) at 52.664 0.061 6.13 in (null):F-9999 (1) and ND2(41) at 51.9108 1.39126 3.78824 in (null):N-9999 (5) other bump:3.02741 Ang C(1) at 50.131 6.959 7.322 in (null):G-9999 (0) and CD(25) at 47.3461 6.77505 6.1492 in (null):P-9999 (3) Number of specific fragments= 1 total=913 # 1eguA.44.47 read from T0136.t2k.frag # found chain 1eguA in training set T0136 44 :FLPQNNTEE 1eguA 215 :SISSQADRI Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07315 Ang CG(63) at 13.9756 14.4804 21.2454 in (null):E-9999 (8) and N(78) at 14.806 11.605 21.943 in (null):G-9999 (10) neighbor-bump: 2.57616 Ang CG(63) at 13.9756 14.4804 21.2454 in (null):E-9999 (8) and N(69) at 16.377 13.651 20.819 in (null):E-9999 (9) other bump:2.06826 Ang ND2(41) at 11.04 14.5811 19.4688 in (null):N-9999 (5) and OE1(65) at 11.6749 13.7922 21.2722 in (null):E-9999 (8) other bump:2.36945 Ang CB(23) at 9.52145 14.5461 20.6328 in (null):P-9999 (3) and OE1(65) at 11.6749 13.7922 21.2722 in (null):E-9999 (8) other bump:2.90099 Ang ND2(41) at 11.04 14.5811 19.4688 in (null):N-9999 (5) and CD(64) at 12.6025 14.3495 21.9021 in (null):E-9999 (8) other bump:2.56938 Ang CG(40) at 11.661 15.6835 19.0718 in (null):N-9999 (5) and CB(62) at 13.9065 14.6207 19.7275 in (null):E-9999 (8) other bump:2.94114 Ang CB(39) at 12.141 15.7032 17.6391 in (null):N-9999 (5) and CB(62) at 13.9065 14.6207 19.7275 in (null):E-9999 (8) other bump:3.04947 Ang CB(39) at 12.141 15.7032 17.6391 in (null):N-9999 (5) and N(60) at 15.038 14.751 17.621 in (null):E-9999 (8) other bump:2.87787 Ang CA(22) at 8.215 14.723 19.999 in (null):P-9999 (3) and ND2(41) at 11.04 14.5811 19.4688 in (null):N-9999 (5) other bump:1.91374 Ang CB(23) at 9.52145 14.5461 20.6328 in (null):P-9999 (3) and ND2(41) at 11.04 14.5811 19.4688 in (null):N-9999 (5) other bump:2.88241 Ang CB(23) at 9.52145 14.5461 20.6328 in (null):P-9999 (3) and CG(40) at 11.661 15.6835 19.0718 in (null):N-9999 (5) Number of specific fragments= 1 total=914 # 1bno.44.47 read from T0136.t2k.frag # found chain 1bno in template set T0136 44 :FLPQNNTEE 1bno 48 :KYPHKIKSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43377 Ang C(36) at 72.896 6.712 4.488 in (null):Q-9999 (4) and CB(39) at 73.7608 6.35018 6.73398 in (null):N-9999 (5) neighbor-bump: 2.11827 Ang O(35) at 73.017 7.657 5.242 in (null):Q-9999 (4) and CB(39) at 73.7608 6.35018 6.73398 in (null):N-9999 (5) neighbor-bump: 2.35284 Ang CB(30) at 72.8963 5.72022 2.59094 in (null):Q-9999 (4) and N(37) at 72.648 5.508 4.921 in (null):N-9999 (5) self-bump: 2.14067 Ang CB(30) at 72.8963 5.72022 2.59094 in (null):Q-9999 (4) and C(36) at 72.896 6.712 4.488 in (null):Q-9999 (4) self-bump: 1.22359 Ang CA(29) at 73.014 6.875 2.978 in (null):Q-9999 (4) and CB(30) at 72.8963 5.72022 2.59094 in (null):Q-9999 (4) Number of specific fragments= 1 total=915 # 5pal.44.48 read from T0136.t2k.frag # found chain 5pal in training set T0136 44 :FLPQNNTEE 5pal 49 :ILDKDQSGF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51922 Ang CG(40) at -5.09632 23.0142 15.3801 in (null):N-9999 (5) and OG1(57) at -4.79452 24.4791 13.353 in (null):T-9999 (7) other bump:2.20091 Ang ND2(41) at -3.94002 22.9573 14.6938 in (null):N-9999 (5) and OG1(57) at -4.79452 24.4791 13.353 in (null):T-9999 (7) self-bump: 1.39468 Ang CA(22) at -10.946 21.258 14.771 in (null):P-9999 (3) and CB(23) at -10.9654 21.8716 13.5187 in (null):P-9999 (3) Number of specific fragments= 1 total=916 # 1jjuA.44.45 read from T0136.t2k.frag # found chain 1jjuA in template set T0136 44 :FLPQNNTEE 1jjuA 46 :NHGVALEPE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97125 Ang C(20) at 79.979 1.972 37.431 in (null):L-9999 (2) and CD(25) at 78.0558 2.40119 37.4866 in (null):P-9999 (3) self-bump: 2.1524 Ang CA(22) at 79.04 3.622 38.961 in (null):P-9999 (3) and CD(25) at 78.0558 2.40119 37.4866 in (null):P-9999 (3) Number of specific fragments= 1 total=917 # 2wsyB.44.46 read from T0136.t2k.frag # adding 2wsyB to template set 2wsyB:# found chain 2wsyB in template set T0136 44 :FLPQNNTEE 2wsyB 48 :LLKNYAGRP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26854 Ang CG(16) at 81.263 0.475 1.925 in (null):L-9999 (2) and OE2(66) at 82.7999 1.77261 2.97406 in (null):E-9999 (8) other bump:2.45523 Ang CD1(17) at 80.838 1.869 1.501 in (null):L-9999 (2) and OE2(66) at 82.7999 1.77261 2.97406 in (null):E-9999 (8) other bump:3.04781 Ang CG(16) at 81.263 0.475 1.925 in (null):L-9999 (2) and CD(64) at 83.9078 1.24048 3.23189 in (null):E-9999 (8) neighbor-bump: 2.48979 Ang C(52) at 86.449 4.075 -1.328 in (null):N-9999 (6) and OG1(57) at 88.1756 4.27527 0.454626 in (null):T-9999 (7) neighbor-bump: 1.81719 Ang O(51) at 87.184 4.965 -0.903 in (null):N-9999 (6) and OG1(57) at 88.1756 4.27527 0.454626 in (null):T-9999 (7) neighbor-bump: 2.83754 Ang C(52) at 86.449 4.075 -1.328 in (null):N-9999 (6) and CG2(56) at 89.2041 4.65273 -1.68498 in (null):T-9999 (7) neighbor-bump: 2.18854 Ang O(51) at 87.184 4.965 -0.903 in (null):N-9999 (6) and CG2(56) at 89.2041 4.65273 -1.68498 in (null):T-9999 (7) neighbor-bump: 2.6605 Ang C(52) at 86.449 4.075 -1.328 in (null):N-9999 (6) and CB(55) at 88.9633 3.67978 -0.553037 in (null):T-9999 (7) neighbor-bump: 2.22262 Ang O(51) at 87.184 4.965 -0.903 in (null):N-9999 (6) and CB(55) at 88.9633 3.67978 -0.553037 in (null):T-9999 (7) Number of specific fragments= 1 total=918 # 1php.45.46 read from T0136.t2k.frag # found chain 1php in training set T0136 45 :LPQNNTEEA 1php 47 :LIEHGAKVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=919 # 1eguA.45.48 read from T0136.t2k.frag # found chain 1eguA in training set T0136 45 :LPQNNTEEA 1eguA 216 :ISSQADRIY Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66019 Ang CD(53) at 12.6025 14.3495 21.9021 in (null):E-9999 (7) and O(70) at 12.24 11.908 20.91 in (null):A-9999 (9) other bump:2.00022 Ang OE1(54) at 11.6749 13.7922 21.2722 in (null):E-9999 (7) and O(70) at 12.24 11.908 20.91 in (null):A-9999 (9) other bump:3.07315 Ang CG(52) at 13.9756 14.4804 21.2454 in (null):E-9999 (7) and N(67) at 14.806 11.605 21.943 in (null):A-9999 (9) neighbor-bump: 2.57616 Ang CG(52) at 13.9756 14.4804 21.2454 in (null):E-9999 (7) and N(58) at 16.377 13.651 20.819 in (null):E-9999 (8) other bump:2.06826 Ang ND2(30) at 11.04 14.5811 19.4688 in (null):N-9999 (4) and OE1(54) at 11.6749 13.7922 21.2722 in (null):E-9999 (7) other bump:2.36945 Ang CB(12) at 9.52145 14.5461 20.6328 in (null):P-9999 (2) and OE1(54) at 11.6749 13.7922 21.2722 in (null):E-9999 (7) other bump:2.90099 Ang ND2(30) at 11.04 14.5811 19.4688 in (null):N-9999 (4) and CD(53) at 12.6025 14.3495 21.9021 in (null):E-9999 (7) other bump:2.94114 Ang CB(28) at 12.141 15.7032 17.6391 in (null):N-9999 (4) and CB(51) at 13.9065 14.6207 19.7275 in (null):E-9999 (7) other bump:2.56938 Ang CG(29) at 11.661 15.6835 19.0718 in (null):N-9999 (4) and CB(51) at 13.9065 14.6207 19.7275 in (null):E-9999 (7) other bump:3.04947 Ang CB(28) at 12.141 15.7032 17.6391 in (null):N-9999 (4) and N(49) at 15.038 14.751 17.621 in (null):E-9999 (7) other bump:2.87787 Ang CA(11) at 8.215 14.723 19.999 in (null):P-9999 (2) and ND2(30) at 11.04 14.5811 19.4688 in (null):N-9999 (4) other bump:1.91374 Ang CB(12) at 9.52145 14.5461 20.6328 in (null):P-9999 (2) and ND2(30) at 11.04 14.5811 19.4688 in (null):N-9999 (4) other bump:2.88241 Ang CB(12) at 9.52145 14.5461 20.6328 in (null):P-9999 (2) and CG(29) at 11.661 15.6835 19.0718 in (null):N-9999 (4) Number of specific fragments= 1 total=920 # 1bno.45.48 read from T0136.t2k.frag # found chain 1bno in template set T0136 45 :LPQNNTEEA 1bno 49 :YPHKIKSGA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11827 Ang O(24) at 73.017 7.657 5.242 in (null):Q-9999 (3) and CB(28) at 73.7608 6.35018 6.73398 in (null):N-9999 (4) neighbor-bump: 2.43377 Ang C(25) at 72.896 6.712 4.488 in (null):Q-9999 (3) and CB(28) at 73.7608 6.35018 6.73398 in (null):N-9999 (4) neighbor-bump: 2.35284 Ang CB(19) at 72.8963 5.72022 2.59094 in (null):Q-9999 (3) and N(26) at 72.648 5.508 4.921 in (null):N-9999 (4) self-bump: 2.14067 Ang CB(19) at 72.8963 5.72022 2.59094 in (null):Q-9999 (3) and C(25) at 72.896 6.712 4.488 in (null):Q-9999 (3) self-bump: 1.22359 Ang CA(18) at 73.014 6.875 2.978 in (null):Q-9999 (3) and CB(19) at 72.8963 5.72022 2.59094 in (null):Q-9999 (3) Number of specific fragments= 1 total=921 # 5pal.45.49 read from T0136.t2k.frag # found chain 5pal in training set T0136 45 :LPQNNTEEA 5pal 50 :LDKDQSGFI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51922 Ang CG(29) at -5.09632 23.0142 15.3801 in (null):N-9999 (4) and OG1(46) at -4.79452 24.4791 13.353 in (null):T-9999 (6) other bump:2.20091 Ang ND2(30) at -3.94002 22.9573 14.6938 in (null):N-9999 (4) and OG1(46) at -4.79452 24.4791 13.353 in (null):T-9999 (6) self-bump: 1.39468 Ang CA(11) at -10.946 21.258 14.771 in (null):P-9999 (2) and CB(12) at -10.9654 21.8716 13.5187 in (null):P-9999 (2) Number of specific fragments= 1 total=922 # 2wsyB.45.47 read from T0136.t2k.frag # found chain 2wsyB in template set T0136 45 :LPQNNTEEA 2wsyB 49 :LKNYAGRPT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26854 Ang CG(5) at 81.263 0.475 1.925 in (null):L-9999 (1) and OE2(55) at 82.7999 1.77261 2.97406 in (null):E-9999 (7) other bump:2.45523 Ang CD1(6) at 80.838 1.869 1.501 in (null):L-9999 (1) and OE2(55) at 82.7999 1.77261 2.97406 in (null):E-9999 (7) other bump:3.04781 Ang CG(5) at 81.263 0.475 1.925 in (null):L-9999 (1) and CD(53) at 83.9078 1.24048 3.23189 in (null):E-9999 (7) neighbor-bump: 2.48979 Ang C(41) at 86.449 4.075 -1.328 in (null):N-9999 (5) and OG1(46) at 88.1756 4.27527 0.454626 in (null):T-9999 (6) neighbor-bump: 1.81719 Ang O(40) at 87.184 4.965 -0.903 in (null):N-9999 (5) and OG1(46) at 88.1756 4.27527 0.454626 in (null):T-9999 (6) neighbor-bump: 2.83754 Ang C(41) at 86.449 4.075 -1.328 in (null):N-9999 (5) and CG2(45) at 89.2041 4.65273 -1.68498 in (null):T-9999 (6) neighbor-bump: 2.18854 Ang O(40) at 87.184 4.965 -0.903 in (null):N-9999 (5) and CG2(45) at 89.2041 4.65273 -1.68498 in (null):T-9999 (6) neighbor-bump: 2.6605 Ang C(41) at 86.449 4.075 -1.328 in (null):N-9999 (5) and CB(44) at 88.9633 3.67978 -0.553037 in (null):T-9999 (6) neighbor-bump: 2.22262 Ang O(40) at 87.184 4.965 -0.903 in (null):N-9999 (5) and CB(44) at 88.9633 3.67978 -0.553037 in (null):T-9999 (6) Number of specific fragments= 1 total=923 # 3pmgA.45.45 read from T0136.t2k.frag # found chain 3pmgA in template set T0136 45 :LPQNNTEEA 3pmgA 46 :VEPAQRQEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=924 # 1php.46.47 read from T0136.t2k.frag # found chain 1php in training set T0136 46 :PQNNTEEAS 1php 48 :IEHGAKVIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=925 # 1eguA.46.49 read from T0136.t2k.frag # found chain 1eguA in training set T0136 46 :PQNNTEEAS 1eguA 217 :SSQADRIYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7525 Ang CD(6) at 8.22721 12.6656 21.179 in (null):P-9999 (1) and C(69) at 9.335 10.248 21.889 in (null):S-9999 (9) other bump:1.7476 Ang CD(6) at 8.22721 12.6656 21.179 in (null):P-9999 (1) and O(68) at 8.387 10.992 21.656 in (null):S-9999 (9) other bump:2.66019 Ang CD(45) at 12.6025 14.3495 21.9021 in (null):E-9999 (6) and O(62) at 12.24 11.908 20.91 in (null):A-9999 (8) other bump:2.00022 Ang OE1(46) at 11.6749 13.7922 21.2722 in (null):E-9999 (6) and O(62) at 12.24 11.908 20.91 in (null):A-9999 (8) other bump:3.07315 Ang CG(44) at 13.9756 14.4804 21.2454 in (null):E-9999 (6) and N(59) at 14.806 11.605 21.943 in (null):A-9999 (8) neighbor-bump: 2.57616 Ang CG(44) at 13.9756 14.4804 21.2454 in (null):E-9999 (6) and N(50) at 16.377 13.651 20.819 in (null):E-9999 (7) other bump:2.06826 Ang ND2(22) at 11.04 14.5811 19.4688 in (null):N-9999 (3) and OE1(46) at 11.6749 13.7922 21.2722 in (null):E-9999 (6) other bump:2.36945 Ang CB(4) at 9.52145 14.5461 20.6328 in (null):P-9999 (1) and OE1(46) at 11.6749 13.7922 21.2722 in (null):E-9999 (6) other bump:2.90099 Ang ND2(22) at 11.04 14.5811 19.4688 in (null):N-9999 (3) and CD(45) at 12.6025 14.3495 21.9021 in (null):E-9999 (6) other bump:2.94114 Ang CB(20) at 12.141 15.7032 17.6391 in (null):N-9999 (3) and CB(43) at 13.9065 14.6207 19.7275 in (null):E-9999 (6) other bump:2.56938 Ang CG(21) at 11.661 15.6835 19.0718 in (null):N-9999 (3) and CB(43) at 13.9065 14.6207 19.7275 in (null):E-9999 (6) other bump:3.04947 Ang CB(20) at 12.141 15.7032 17.6391 in (null):N-9999 (3) and N(41) at 15.038 14.751 17.621 in (null):E-9999 (6) other bump:1.91374 Ang CB(4) at 9.52145 14.5461 20.6328 in (null):P-9999 (1) and ND2(22) at 11.04 14.5811 19.4688 in (null):N-9999 (3) other bump:2.87787 Ang CA(3) at 8.215 14.723 19.999 in (null):P-9999 (1) and ND2(22) at 11.04 14.5811 19.4688 in (null):N-9999 (3) other bump:2.88241 Ang CB(4) at 9.52145 14.5461 20.6328 in (null):P-9999 (1) and CG(21) at 11.661 15.6835 19.0718 in (null):N-9999 (3) Number of specific fragments= 1 total=926 # 5pal.46.50 read from T0136.t2k.frag # found chain 5pal in training set T0136 46 :PQNNTEEAS 5pal 51 :DKDQSGFIE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51922 Ang CG(21) at -5.09632 23.0142 15.3801 in (null):N-9999 (3) and OG1(38) at -4.79452 24.4791 13.353 in (null):T-9999 (5) other bump:2.20092 Ang ND2(22) at -3.94002 22.9573 14.6938 in (null):N-9999 (3) and OG1(38) at -4.79452 24.4791 13.353 in (null):T-9999 (5) self-bump: 2.24956 Ang CA(3) at -10.946 21.258 14.771 in (null):P-9999 (1) and CD(6) at -13.1093 21.4237 14.1767 in (null):P-9999 (1) self-bump: 2.12587 Ang CA(3) at -10.946 21.258 14.771 in (null):P-9999 (1) and CG(5) at -12.1888 22.3934 13.4726 in (null):P-9999 (1) self-bump: 1.38403 Ang CA(3) at -10.946 21.258 14.771 in (null):P-9999 (1) and CB(4) at -10.8879 21.6531 13.4458 in (null):P-9999 (1) Number of specific fragments= 1 total=927 # 2wsyB.46.48 read from T0136.t2k.frag # found chain 2wsyB in template set T0136 46 :PQNNTEEAS 2wsyB 50 :KNYAGRPTA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48979 Ang C(33) at 86.449 4.075 -1.328 in (null):N-9999 (4) and OG1(38) at 88.1756 4.27527 0.454626 in (null):T-9999 (5) neighbor-bump: 1.81719 Ang O(32) at 87.184 4.965 -0.903 in (null):N-9999 (4) and OG1(38) at 88.1756 4.27527 0.454626 in (null):T-9999 (5) neighbor-bump: 2.83754 Ang C(33) at 86.449 4.075 -1.328 in (null):N-9999 (4) and CG2(37) at 89.2041 4.65273 -1.68498 in (null):T-9999 (5) neighbor-bump: 2.18854 Ang O(32) at 87.184 4.965 -0.903 in (null):N-9999 (4) and CG2(37) at 89.2041 4.65273 -1.68498 in (null):T-9999 (5) neighbor-bump: 2.6605 Ang C(33) at 86.449 4.075 -1.328 in (null):N-9999 (4) and CB(36) at 88.9633 3.67978 -0.553037 in (null):T-9999 (5) neighbor-bump: 2.22262 Ang O(32) at 87.184 4.965 -0.903 in (null):N-9999 (4) and CB(36) at 88.9633 3.67978 -0.553037 in (null):T-9999 (5) Number of specific fragments= 1 total=928 # 1bno.46.49 read from T0136.t2k.frag # found chain 1bno in template set T0136 46 :PQNNTEEAS 1bno 50 :PHKIKSGAE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38492 Ang ND2(30) at 67.2841 7.08515 5.23706 in (null):N-9999 (4) and OG(67) at 66.2924 9.2207 5.61621 in (null):S-9999 (9) other bump:2.70138 Ang ND2(30) at 67.2841 7.08515 5.23706 in (null):N-9999 (4) and CB(66) at 65.4207 8.56305 6.51811 in (null):S-9999 (9) neighbor-bump: 2.11827 Ang O(16) at 73.017 7.657 5.242 in (null):Q-9999 (2) and CB(20) at 73.7608 6.35018 6.73398 in (null):N-9999 (3) neighbor-bump: 2.43377 Ang C(17) at 72.896 6.712 4.488 in (null):Q-9999 (2) and CB(20) at 73.7608 6.35018 6.73398 in (null):N-9999 (3) neighbor-bump: 2.35284 Ang CB(11) at 72.8963 5.72022 2.59094 in (null):Q-9999 (2) and N(18) at 72.648 5.508 4.921 in (null):N-9999 (3) self-bump: 2.14067 Ang CB(11) at 72.8963 5.72022 2.59094 in (null):Q-9999 (2) and C(17) at 72.896 6.712 4.488 in (null):Q-9999 (2) self-bump: 1.22359 Ang CA(10) at 73.014 6.875 2.978 in (null):Q-9999 (2) and CB(11) at 72.8963 5.72022 2.59094 in (null):Q-9999 (2) Number of specific fragments= 1 total=929 # 3pmgA.46.46 read from T0136.t2k.frag # found chain 3pmgA in template set T0136 46 :PQNNTEEAS 3pmgA 47 :EPAQRQEAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=930 # 1php.47.48 read from T0136.t2k.frag # found chain 1php in training set T0136 47 :QNNTEEASF 1php 49 :EHGAKVILA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=931 # 1eguA.47.50 read from T0136.t2k.frag # found chain 1eguA in training set T0136 47 :QNNTEEASF 1eguA 218 :SQADRIYLW Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.00022 Ang OE1(39) at 11.6749 13.7922 21.2722 in (null):E-9999 (5) and O(55) at 12.24 11.908 20.91 in (null):A-9999 (7) other bump:2.66019 Ang CD(38) at 12.6025 14.3495 21.9021 in (null):E-9999 (5) and O(55) at 12.24 11.908 20.91 in (null):A-9999 (7) other bump:3.07315 Ang CG(37) at 13.9756 14.4804 21.2454 in (null):E-9999 (5) and N(52) at 14.806 11.605 21.943 in (null):A-9999 (7) neighbor-bump: 2.57616 Ang CG(37) at 13.9756 14.4804 21.2454 in (null):E-9999 (5) and N(43) at 16.377 13.651 20.819 in (null):E-9999 (6) other bump:2.06826 Ang ND2(15) at 11.04 14.5811 19.4688 in (null):N-9999 (2) and OE1(39) at 11.6749 13.7922 21.2722 in (null):E-9999 (5) other bump:2.90099 Ang ND2(15) at 11.04 14.5811 19.4688 in (null):N-9999 (2) and CD(38) at 12.6025 14.3495 21.9021 in (null):E-9999 (5) other bump:2.56938 Ang CG(14) at 11.661 15.6835 19.0718 in (null):N-9999 (2) and CB(36) at 13.9065 14.6207 19.7275 in (null):E-9999 (5) other bump:2.94114 Ang CB(13) at 12.141 15.7032 17.6391 in (null):N-9999 (2) and CB(36) at 13.9065 14.6207 19.7275 in (null):E-9999 (5) other bump:3.04947 Ang CB(13) at 12.141 15.7032 17.6391 in (null):N-9999 (2) and N(34) at 15.038 14.751 17.621 in (null):E-9999 (5) Number of specific fragments= 1 total=932 # 2wsyB.47.49 read from T0136.t2k.frag # found chain 2wsyB in template set T0136 47 :QNNTEEASF 2wsyB 51 :NYAGRPTAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.81718 Ang O(25) at 87.184 4.965 -0.903 in (null):N-9999 (3) and OG1(31) at 88.1756 4.27527 0.454628 in (null):T-9999 (4) neighbor-bump: 2.48978 Ang C(26) at 86.449 4.075 -1.328 in (null):N-9999 (3) and OG1(31) at 88.1756 4.27527 0.454628 in (null):T-9999 (4) neighbor-bump: 2.18853 Ang O(25) at 87.184 4.965 -0.903 in (null):N-9999 (3) and CG2(30) at 89.2041 4.65273 -1.68498 in (null):T-9999 (4) neighbor-bump: 2.83753 Ang C(26) at 86.449 4.075 -1.328 in (null):N-9999 (3) and CG2(30) at 89.2041 4.65273 -1.68498 in (null):T-9999 (4) neighbor-bump: 2.22261 Ang O(25) at 87.184 4.965 -0.903 in (null):N-9999 (3) and CB(29) at 88.9632 3.67978 -0.553035 in (null):T-9999 (4) neighbor-bump: 2.66049 Ang C(26) at 86.449 4.075 -1.328 in (null):N-9999 (3) and CB(29) at 88.9632 3.67978 -0.553035 in (null):T-9999 (4) Number of specific fragments= 1 total=933 # 3pmgA.47.47 read from T0136.t2k.frag # found chain 3pmgA in template set T0136 47 :QNNTEEASF 3pmgA 48 :PAQRQEATL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=934 # 5pal.47.51 read from T0136.t2k.frag # found chain 5pal in training set T0136 47 :QNNTEEASF 5pal 52 :KDQSGFIEE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51922 Ang CG(14) at -5.09632 23.0142 15.3801 in (null):N-9999 (2) and OG1(31) at -4.79452 24.4791 13.353 in (null):T-9999 (4) other bump:2.20091 Ang ND2(15) at -3.94003 22.9573 14.6938 in (null):N-9999 (2) and OG1(31) at -4.79452 24.4791 13.353 in (null):T-9999 (4) Number of specific fragments= 1 total=935 # 1kekA.47.48 read from T0136.t2k.frag # adding 1kekA to template set 1kekA:# found chain 1kekA in template set T0136 47 :QNNTEEASF 1kekA 50 :NIFGQTLTI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2914 Ang CB(54) at -47.94 -58 24.523 in (null):A-9999 (7) and CE1(69) at -46.0621 -59.2319 24.0685 in (null):F-9999 (9) Number of specific fragments= 1 total=936 # 1php.48.49 read from T0136.t2k.frag # found chain 1php in training set T0136 48 :NNTEEASFV 1php 50 :HGAKVILAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=937 # 1eguA.48.51 read from T0136.t2k.frag # found chain 1eguA in training set T0136 48 :NNTEEASFV 1eguA 219 :QADRIYLWE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.00022 Ang OE1(30) at 11.6749 13.7922 21.2722 in (null):E-9999 (4) and O(46) at 12.24 11.908 20.91 in (null):A-9999 (6) other bump:2.66019 Ang CD(29) at 12.6025 14.3495 21.9021 in (null):E-9999 (4) and O(46) at 12.24 11.908 20.91 in (null):A-9999 (6) other bump:3.07315 Ang CG(28) at 13.9756 14.4804 21.2454 in (null):E-9999 (4) and N(43) at 14.806 11.605 21.943 in (null):A-9999 (6) neighbor-bump: 2.57616 Ang CG(28) at 13.9756 14.4804 21.2454 in (null):E-9999 (4) and N(34) at 16.377 13.651 20.819 in (null):E-9999 (5) other bump:2.06826 Ang ND2(6) at 11.04 14.5811 19.4688 in (null):N-9999 (1) and OE1(30) at 11.6749 13.7922 21.2722 in (null):E-9999 (4) other bump:2.90099 Ang ND2(6) at 11.04 14.5811 19.4688 in (null):N-9999 (1) and CD(29) at 12.6025 14.3495 21.9021 in (null):E-9999 (4) other bump:2.94114 Ang CB(4) at 12.141 15.7032 17.6391 in (null):N-9999 (1) and CB(27) at 13.9065 14.6207 19.7275 in (null):E-9999 (4) other bump:2.56938 Ang CG(5) at 11.661 15.6835 19.0718 in (null):N-9999 (1) and CB(27) at 13.9065 14.6207 19.7275 in (null):E-9999 (4) other bump:3.04947 Ang CB(4) at 12.141 15.7032 17.6391 in (null):N-9999 (1) and N(25) at 15.038 14.751 17.621 in (null):E-9999 (4) Number of specific fragments= 1 total=938 # 1kekA.48.49 read from T0136.t2k.frag # found chain 1kekA in template set T0136 48 :NNTEEASFV 1kekA 51 :IFGQTLTIR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2914 Ang CB(45) at -47.94 -58 24.523 in (null):A-9999 (6) and CE1(60) at -46.0621 -59.2319 24.0685 in (null):F-9999 (8) Number of specific fragments= 1 total=939 # 1b0pA.48.49 read from T0136.t2k.frag # adding 1b0pA to template set 1b0pA:# found chain 1b0pA in template set T0136 48 :NNTEEASFV 1b0pA 51 :IFGQTLTIR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83625 Ang CB(45) at -47.383 -58.265 23.406 in (null):A-9999 (6) and CE1(60) at -45.2534 -60.0023 22.7055 in (null):F-9999 (8) Number of specific fragments= 1 total=940 # 1b0pA.48.48 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 48 :NNTEEASFV 1b0pA 50 :NIFGQTLTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=941 # 2wsyB.48.50 read from T0136.t2k.frag # found chain 2wsyB in template set T0136 48 :NNTEEASFV 2wsyB 52 :YAGRPTALT Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.81719 Ang O(16) at 87.184 4.965 -0.903 in (null):N-9999 (2) and OG1(22) at 88.1756 4.27526 0.454627 in (null):T-9999 (3) neighbor-bump: 2.48979 Ang C(17) at 86.449 4.075 -1.328 in (null):N-9999 (2) and OG1(22) at 88.1756 4.27526 0.454627 in (null):T-9999 (3) neighbor-bump: 2.18854 Ang O(16) at 87.184 4.965 -0.903 in (null):N-9999 (2) and CG2(21) at 89.2041 4.65273 -1.68498 in (null):T-9999 (3) neighbor-bump: 2.83754 Ang C(17) at 86.449 4.075 -1.328 in (null):N-9999 (2) and CG2(21) at 89.2041 4.65273 -1.68498 in (null):T-9999 (3) neighbor-bump: 2.22261 Ang O(16) at 87.184 4.965 -0.903 in (null):N-9999 (2) and CB(20) at 88.9632 3.67978 -0.553036 in (null):T-9999 (3) neighbor-bump: 2.66049 Ang C(17) at 86.449 4.075 -1.328 in (null):N-9999 (2) and CB(20) at 88.9632 3.67978 -0.553036 in (null):T-9999 (3) Number of specific fragments= 1 total=942 # 1php.49.50 read from T0136.t2k.frag # found chain 1php in training set T0136 49 :NTEEASFVN 1php 51 :GAKVILASH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=943 # 1eguA.49.52 read from T0136.t2k.frag # found chain 1eguA in training set T0136 49 :NTEEASFVN 1eguA 220 :ADRIYLWEK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66019 Ang CD(21) at 12.6025 14.3495 21.9021 in (null):E-9999 (3) and O(38) at 12.24 11.908 20.91 in (null):A-9999 (5) other bump:2.00022 Ang OE1(22) at 11.6749 13.7922 21.2722 in (null):E-9999 (3) and O(38) at 12.24 11.908 20.91 in (null):A-9999 (5) other bump:3.07315 Ang CG(20) at 13.9756 14.4804 21.2454 in (null):E-9999 (3) and N(35) at 14.806 11.605 21.943 in (null):A-9999 (5) neighbor-bump: 2.57616 Ang CG(20) at 13.9756 14.4804 21.2454 in (null):E-9999 (3) and N(26) at 16.377 13.651 20.819 in (null):E-9999 (4) Number of specific fragments= 1 total=944 # 1kekA.49.50 read from T0136.t2k.frag # found chain 1kekA in template set T0136 49 :NTEEASFVN 1kekA 52 :FGQTLTIRE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2914 Ang CB(37) at -47.94 -58 24.523 in (null):A-9999 (5) and CE1(52) at -46.0621 -59.2319 24.0685 in (null):F-9999 (7) Number of specific fragments= 1 total=945 # 1b0pA.49.50 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 49 :NTEEASFVN 1b0pA 52 :FGQTLTIRE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83625 Ang CB(37) at -47.383 -58.265 23.406 in (null):A-9999 (5) and CE1(52) at -45.2534 -60.0023 22.7055 in (null):F-9999 (7) Number of specific fragments= 1 total=946 # 1b0pA.49.49 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 49 :NTEEASFVN 1b0pA 51 :IFGQTLTIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73954 Ang CD2(51) at -42.8788 -51.9924 21.4307 in (null):F-9999 (7) and ND2(68) at -40.6843 -53.0926 20.2146 in (null):N-9999 (9) other bump:2.09415 Ang CE2(53) at -41.8873 -51.4257 20.6139 in (null):F-9999 (7) and ND2(68) at -40.6843 -53.0926 20.2146 in (null):N-9999 (9) other bump:2.36271 Ang CZ(54) at -42.0319 -51.4286 19.2159 in (null):F-9999 (7) and ND2(68) at -40.6843 -53.0926 20.2146 in (null):N-9999 (9) Number of specific fragments= 1 total=947 # 1kekA.49.49 read from T0136.t2k.frag # found chain 1kekA in template set T0136 49 :NTEEASFVN 1kekA 51 :IFGQTLTIR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76025 Ang CE2(53) at -42.985 -50.7378 21.974 in (null):F-9999 (7) and ND2(68) at -41.0588 -52.6007 21.312 in (null):N-9999 (9) other bump:2.8769 Ang CZ(54) at -43.1163 -50.73 20.5747 in (null):F-9999 (7) and ND2(68) at -41.0588 -52.6007 21.312 in (null):N-9999 (9) Number of specific fragments= 1 total=948 # 1php.50.51 read from T0136.t2k.frag # found chain 1php in training set T0136 50 :TEEASFVNP 1php 52 :AKVILASHL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.71791 Ang C(63) at 33.521 7.17 20.93 in (null):N-9999 (8) and CD(68) at 32.5435 8.3095 20.095 in (null):P-9999 (9) neighbor-bump: 2.44613 Ang O(62) at 34.714 7.536 20.916 in (null):N-9999 (8) and CD(68) at 32.5435 8.3095 20.095 in (null):P-9999 (9) neighbor-bump: 2.59834 Ang C(63) at 33.521 7.17 20.93 in (null):N-9999 (8) and CG(67) at 33.2673 9.62622 20.1213 in (null):P-9999 (9) self-bump: 1.36947 Ang CA(10) at 40.693 4.445 1.4 in (null):E-9999 (2) and CB(11) at 39.7627 4.50742 0.396924 in (null):E-9999 (2) Number of specific fragments= 1 total=949 # 1eguA.50.53 read from T0136.t2k.frag # found chain 1eguA in training set T0136 50 :TEEASFVNP 1eguA 221 :DRIYLWEKF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.01732 Ang CA(57) at 8.201 9.15 29.57 in (null):N-9999 (8) and CD(68) at 8.20604 7.36786 28.6247 in (null):P-9999 (9) neighbor-bump: 2.19288 Ang CB(58) at 6.79559 8.74269 29.5887 in (null):N-9999 (8) and CD(68) at 8.20604 7.36786 28.6247 in (null):P-9999 (9) neighbor-bump: 2.16138 Ang O(62) at 9.478 7.28 30.37 in (null):N-9999 (8) and CD(68) at 8.20604 7.36786 28.6247 in (null):P-9999 (9) neighbor-bump: 1.32948 Ang C(63) at 9.12 7.946 29.398 in (null):N-9999 (8) and CD(68) at 8.20604 7.36786 28.6247 in (null):P-9999 (9) neighbor-bump: 2.52023 Ang C(63) at 9.12 7.946 29.398 in (null):N-9999 (8) and CG(67) at 8.14641 5.88023 28.332 in (null):P-9999 (9) other bump:2.66019 Ang CD(13) at 12.6025 14.3495 21.9021 in (null):E-9999 (2) and O(30) at 12.24 11.908 20.91 in (null):A-9999 (4) other bump:2.00022 Ang OE1(14) at 11.6748 13.7922 21.2722 in (null):E-9999 (2) and O(30) at 12.24 11.908 20.91 in (null):A-9999 (4) other bump:3.07315 Ang CG(12) at 13.9756 14.4804 21.2454 in (null):E-9999 (2) and N(27) at 14.806 11.605 21.943 in (null):A-9999 (4) neighbor-bump: 2.57616 Ang CG(12) at 13.9756 14.4804 21.2454 in (null):E-9999 (2) and N(18) at 16.377 13.651 20.819 in (null):E-9999 (3) Number of specific fragments= 1 total=950 # 1kekA.50.51 read from T0136.t2k.frag # found chain 1kekA in template set T0136 50 :TEEASFVNP 1kekA 53 :GQTLTIREM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2914 Ang CB(29) at -47.94 -58 24.523 in (null):A-9999 (4) and CE1(44) at -46.0621 -59.2319 24.0685 in (null):F-9999 (6) Number of specific fragments= 1 total=951 # 1b0pA.50.51 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 50 :TEEASFVNP 1b0pA 53 :GQTLTIREM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83625 Ang CB(29) at -47.383 -58.265 23.406 in (null):A-9999 (4) and CE1(44) at -45.2534 -60.0023 22.7055 in (null):F-9999 (6) Number of specific fragments= 1 total=952 # 1k6dA.50.51 read from T0136.t2k.frag # adding 1k6dA to template set 1k6dA:# found chain 1k6dA in template set T0136 50 :TEEASFVNP 1k6dA 52 :NDTAFVDTG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.72988 Ang OD1(61) at 22.6107 9.13558 -21.665 in (null):N-9999 (8) and CD(68) at 21.2629 10.6199 -19.8124 in (null):P-9999 (9) other bump:2.45338 Ang CB(29) at 23.701 10.844 -19.969 in (null):A-9999 (4) and CD(68) at 21.2629 10.6199 -19.8124 in (null):P-9999 (9) self-bump: 2.15817 Ang CA(65) at 20.336 12.685 -20.066 in (null):P-9999 (9) and CG(67) at 21.1602 11.4177 -18.5258 in (null):P-9999 (9) other bump:2.97787 Ang CB(29) at 23.701 10.844 -19.969 in (null):A-9999 (4) and CG(67) at 21.1602 11.4177 -18.5258 in (null):P-9999 (9) self-bump: 1.24158 Ang CA(65) at 20.336 12.685 -20.066 in (null):P-9999 (9) and CB(66) at 20.9295 12.8244 -18.9844 in (null):P-9999 (9) other bump:2.40741 Ang OG(35) at 23.1714 8.18718 -23.8056 in (null):S-9999 (5) and OD1(61) at 22.6107 9.13558 -21.665 in (null):N-9999 (8) other bump:2.64271 Ang CB(29) at 23.701 10.844 -19.969 in (null):A-9999 (4) and OD1(61) at 22.6107 9.13558 -21.665 in (null):N-9999 (8) other bump:2.4502 Ang OG(35) at 23.1714 8.18718 -23.8056 in (null):S-9999 (5) and CG(59) at 21.6338 8.29829 -21.9011 in (null):N-9999 (8) neighbor-bump: 2.57301 Ang CD1(42) at 23.6821 9.90712 -29.621 in (null):F-9999 (6) and CG2(53) at 21.6751 8.53042 -28.7861 in (null):V-9999 (7) neighbor-bump: 2.10002 Ang CE1(44) at 23.1244 8.79543 -30.2825 in (null):F-9999 (6) and CG2(53) at 21.6751 8.53042 -28.7861 in (null):V-9999 (7) neighbor-bump: 2.67167 Ang CZ(46) at 23.7402 7.54757 -30.1671 in (null):F-9999 (6) and CG2(53) at 21.6751 8.53042 -28.7861 in (null):V-9999 (7) Number of specific fragments= 1 total=953 # 1b0pA.50.50 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 50 :TEEASFVNP 1b0pA 52 :FGQTLTIRE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12839 Ang CZ(46) at -42.0319 -51.4286 19.2159 in (null):F-9999 (6) and ND2(60) at -40.626 -52.8726 19.9002 in (null):N-9999 (8) other bump:2.04789 Ang CE2(45) at -41.8873 -51.4257 20.6139 in (null):F-9999 (6) and ND2(60) at -40.626 -52.8726 19.9002 in (null):N-9999 (8) Number of specific fragments= 1 total=954 # 1php.51.52 read from T0136.t2k.frag # found chain 1php in training set T0136 51 :EEASFVNPN 1php 53 :KVILASHLG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44613 Ang O(55) at 34.714 7.536 20.916 in (null):N-9999 (7) and CD(61) at 32.5435 8.3095 20.095 in (null):P-9999 (8) neighbor-bump: 1.71792 Ang C(56) at 33.521 7.17 20.93 in (null):N-9999 (7) and CD(61) at 32.5435 8.3095 20.095 in (null):P-9999 (8) neighbor-bump: 2.59834 Ang C(56) at 33.521 7.17 20.93 in (null):N-9999 (7) and CG(60) at 33.2673 9.62621 20.1213 in (null):P-9999 (8) Number of specific fragments= 1 total=955 # 1eguA.51.54 read from T0136.t2k.frag # found chain 1eguA in training set T0136 51 :EEASFVNPN 1eguA 222 :RIYLWEKFS Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11698 Ang O(40) at 10.248 9.379 25.932 in (null):F-9999 (5) and OD1(69) at 11.9239 10.6566 26.1338 in (null):N-9999 (9) other bump:2.5648 Ang C(41) at 9.472 10.234 25.511 in (null):F-9999 (5) and OD1(69) at 11.9239 10.6566 26.1338 in (null):N-9999 (9) other bump:2.57111 Ang CA(43) at 9.946 11.727 27.38 in (null):V-9999 (6) and OD1(69) at 11.9239 10.6566 26.1338 in (null):N-9999 (9) other bump:2.81582 Ang CA(43) at 9.946 11.727 27.38 in (null):V-9999 (6) and ND2(68) at 12.7027 12.2953 27.4619 in (null):N-9999 (9) other bump:2.84271 Ang CA(43) at 9.946 11.727 27.38 in (null):V-9999 (6) and CG(67) at 12.6814 11.0379 27.0281 in (null):N-9999 (9) neighbor-bump: 2.19288 Ang CB(51) at 6.79559 8.74269 29.5887 in (null):N-9999 (7) and CD(61) at 8.20604 7.36786 28.6247 in (null):P-9999 (8) neighbor-bump: 2.01732 Ang CA(50) at 8.201 9.15 29.57 in (null):N-9999 (7) and CD(61) at 8.20604 7.36786 28.6247 in (null):P-9999 (8) neighbor-bump: 2.16139 Ang O(55) at 9.478 7.28 30.37 in (null):N-9999 (7) and CD(61) at 8.20604 7.36786 28.6247 in (null):P-9999 (8) neighbor-bump: 1.32948 Ang C(56) at 9.12 7.946 29.398 in (null):N-9999 (7) and CD(61) at 8.20604 7.36786 28.6247 in (null):P-9999 (8) neighbor-bump: 2.52023 Ang C(56) at 9.12 7.946 29.398 in (null):N-9999 (7) and CG(60) at 8.14641 5.88023 28.332 in (null):P-9999 (8) other bump:2.66019 Ang CD(6) at 12.6025 14.3495 21.9021 in (null):E-9999 (1) and O(23) at 12.24 11.908 20.91 in (null):A-9999 (3) other bump:2.00022 Ang OE1(7) at 11.6749 13.7922 21.2722 in (null):E-9999 (1) and O(23) at 12.24 11.908 20.91 in (null):A-9999 (3) other bump:3.07315 Ang CG(5) at 13.9756 14.4804 21.2454 in (null):E-9999 (1) and N(20) at 14.806 11.605 21.943 in (null):A-9999 (3) neighbor-bump: 2.57616 Ang CG(5) at 13.9756 14.4804 21.2454 in (null):E-9999 (1) and N(11) at 16.377 13.651 20.819 in (null):E-9999 (2) Number of specific fragments= 1 total=956 # 1kekA.51.52 read from T0136.t2k.frag # found chain 1kekA in template set T0136 51 :EEASFVNPN 1kekA 54 :QTLTIREMQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2914 Ang CB(22) at -47.94 -58 24.523 in (null):A-9999 (3) and CE1(37) at -46.0621 -59.2319 24.0685 in (null):F-9999 (5) Number of specific fragments= 1 total=957 # 1b0pA.51.52 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 51 :EEASFVNPN 1b0pA 54 :QTLTIREMQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83625 Ang CB(22) at -47.383 -58.265 23.406 in (null):A-9999 (3) and CE1(37) at -45.2534 -60.0023 22.7055 in (null):F-9999 (5) Number of specific fragments= 1 total=958 # 1k6dA.51.52 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 51 :EEASFVNPN 1k6dA 53 :DTAFVDTGI Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15082 Ang OE1(16) at 25.5576 17.2833 -20.5084 in (null):E-9999 (2) and ND2(68) at 23.8457 16.0134 -20.221 in (null):N-9999 (9) other bump:2.48037 Ang OE1(16) at 25.5576 17.2833 -20.5084 in (null):E-9999 (2) and CG(67) at 23.1775 17.0219 -19.8612 in (null):N-9999 (9) neighbor-bump: 2.72988 Ang OD1(54) at 22.6107 9.13558 -21.665 in (null):N-9999 (7) and CD(61) at 21.2629 10.6199 -19.8124 in (null):P-9999 (8) other bump:2.45338 Ang CB(22) at 23.701 10.844 -19.969 in (null):A-9999 (3) and CD(61) at 21.2629 10.6199 -19.8124 in (null):P-9999 (8) self-bump: 2.15817 Ang CA(58) at 20.336 12.685 -20.066 in (null):P-9999 (8) and CG(60) at 21.1602 11.4177 -18.5258 in (null):P-9999 (8) other bump:2.97787 Ang CB(22) at 23.701 10.844 -19.969 in (null):A-9999 (3) and CG(60) at 21.1602 11.4177 -18.5258 in (null):P-9999 (8) self-bump: 1.24158 Ang CA(58) at 20.336 12.685 -20.066 in (null):P-9999 (8) and CB(59) at 20.9295 12.8244 -18.9844 in (null):P-9999 (8) other bump:2.40741 Ang OG(28) at 23.1714 8.18718 -23.8056 in (null):S-9999 (4) and OD1(54) at 22.6107 9.13558 -21.665 in (null):N-9999 (7) other bump:2.64271 Ang CB(22) at 23.701 10.844 -19.969 in (null):A-9999 (3) and OD1(54) at 22.6107 9.13558 -21.665 in (null):N-9999 (7) other bump:2.4502 Ang OG(28) at 23.1714 8.18718 -23.8056 in (null):S-9999 (4) and CG(52) at 21.6338 8.29829 -21.9011 in (null):N-9999 (7) neighbor-bump: 2.10002 Ang CE1(37) at 23.1244 8.79543 -30.2825 in (null):F-9999 (5) and CG2(46) at 21.6751 8.53042 -28.7861 in (null):V-9999 (6) neighbor-bump: 2.57301 Ang CD1(35) at 23.6821 9.90712 -29.621 in (null):F-9999 (5) and CG2(46) at 21.6751 8.53042 -28.7861 in (null):V-9999 (6) neighbor-bump: 2.67167 Ang CZ(39) at 23.7402 7.54757 -30.1671 in (null):F-9999 (5) and CG2(46) at 21.6751 8.53042 -28.7861 in (null):V-9999 (6) Number of specific fragments= 1 total=959 # 1dmwA.51.54 read from T0136.t2k.frag # adding 1dmwA to template set 1dmwA:# found chain 1dmwA in template set T0136 51 :EEASFVNPN 1dmwA 172 :QPIPRVEYM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=960 # 1php.52.53 read from T0136.t2k.frag # found chain 1php in training set T0136 52 :EASFVNPNN 1php 54 :VILASHLGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44613 Ang O(46) at 34.714 7.536 20.916 in (null):N-9999 (6) and CD(52) at 32.5435 8.3095 20.095 in (null):P-9999 (7) neighbor-bump: 1.71792 Ang C(47) at 33.521 7.17 20.93 in (null):N-9999 (6) and CD(52) at 32.5435 8.3095 20.095 in (null):P-9999 (7) neighbor-bump: 2.59834 Ang C(47) at 33.521 7.17 20.93 in (null):N-9999 (6) and CG(51) at 33.2673 9.62621 20.1213 in (null):P-9999 (7) Number of specific fragments= 1 total=961 # 1eguA.52.55 read from T0136.t2k.frag # found chain 1eguA in training set T0136 52 :EASFVNPNN 1eguA 223 :IYLWEKFSN Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11698 Ang O(31) at 10.248 9.379 25.932 in (null):F-9999 (4) and OD1(60) at 11.9239 10.6566 26.1338 in (null):N-9999 (8) other bump:2.5648 Ang C(32) at 9.472 10.234 25.511 in (null):F-9999 (4) and OD1(60) at 11.9239 10.6566 26.1338 in (null):N-9999 (8) other bump:2.57111 Ang CA(34) at 9.946 11.727 27.38 in (null):V-9999 (5) and OD1(60) at 11.9239 10.6566 26.1338 in (null):N-9999 (8) other bump:2.81582 Ang CA(34) at 9.946 11.727 27.38 in (null):V-9999 (5) and ND2(59) at 12.7027 12.2953 27.4619 in (null):N-9999 (8) other bump:2.84271 Ang CA(34) at 9.946 11.727 27.38 in (null):V-9999 (5) and CG(58) at 12.6814 11.0379 27.0281 in (null):N-9999 (8) neighbor-bump: 2.01732 Ang CA(41) at 8.201 9.15 29.57 in (null):N-9999 (6) and CD(52) at 8.20604 7.36786 28.6247 in (null):P-9999 (7) neighbor-bump: 2.19288 Ang CB(42) at 6.79559 8.74269 29.5887 in (null):N-9999 (6) and CD(52) at 8.20604 7.36786 28.6247 in (null):P-9999 (7) neighbor-bump: 2.16139 Ang O(46) at 9.478 7.28 30.37 in (null):N-9999 (6) and CD(52) at 8.20604 7.36786 28.6247 in (null):P-9999 (7) neighbor-bump: 1.32948 Ang C(47) at 9.12 7.946 29.398 in (null):N-9999 (6) and CD(52) at 8.20604 7.36786 28.6247 in (null):P-9999 (7) neighbor-bump: 2.52023 Ang C(47) at 9.12 7.946 29.398 in (null):N-9999 (6) and CG(51) at 8.14641 5.88023 28.332 in (null):P-9999 (7) Number of specific fragments= 1 total=962 # 1k6dA.52.53 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 52 :EASFVNPNN 1k6dA 54 :TAFVDTGIG Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.34775 Ang O(9) at 25.596 13.015 -21.553 in (null):E-9999 (1) and OD1(68) at 25.0941 13.1732 -22.7938 in (null):N-9999 (9) other bump:2.55753 Ang C(10) at 25.898 13.099 -20.367 in (null):E-9999 (1) and OD1(68) at 25.0941 13.1732 -22.7938 in (null):N-9999 (9) other bump:1.97555 Ang N(16) at 24.907 9.851 -22.121 in (null):S-9999 (3) and ND2(67) at 24.6647 11.1236 -23.6125 in (null):N-9999 (9) other bump:1.87511 Ang CA(17) at 25.297 9.366 -23.448 in (null):S-9999 (3) and ND2(67) at 24.6647 11.1236 -23.6125 in (null):N-9999 (9) other bump:1.16748 Ang C(21) at 24.762 10.354 -24.485 in (null):S-9999 (3) and ND2(67) at 24.6647 11.1236 -23.6125 in (null):N-9999 (9) other bump:2.36029 Ang N(22) at 25.205 10.239 -25.733 in (null):F-9999 (4) and ND2(67) at 24.6647 11.1236 -23.6125 in (null):N-9999 (9) other bump:2.78772 Ang C(15) at 25.798 10.264 -21.215 in (null):A-9999 (2) and ND2(67) at 24.6647 11.1236 -23.6125 in (null):N-9999 (9) other bump:0.899338 Ang O(20) at 23.957 11.231 -24.157 in (null):S-9999 (3) and ND2(67) at 24.6647 11.1236 -23.6125 in (null):N-9999 (9) other bump:2.98669 Ang N(16) at 24.907 9.851 -22.121 in (null):S-9999 (3) and CG(66) at 24.4563 12.4359 -23.5478 in (null):N-9999 (9) other bump:3.18445 Ang CA(17) at 25.297 9.366 -23.448 in (null):S-9999 (3) and CG(66) at 24.4563 12.4359 -23.5478 in (null):N-9999 (9) other bump:2.30347 Ang C(21) at 24.762 10.354 -24.485 in (null):S-9999 (3) and CG(66) at 24.4563 12.4359 -23.5478 in (null):N-9999 (9) other bump:1.43949 Ang O(20) at 23.957 11.231 -24.157 in (null):S-9999 (3) and CG(66) at 24.4563 12.4359 -23.5478 in (null):N-9999 (9) other bump:2.36927 Ang O(9) at 25.596 13.015 -21.553 in (null):E-9999 (1) and CG(66) at 24.4563 12.4359 -23.5478 in (null):N-9999 (9) other bump:2.95842 Ang C(32) at 23.241 11.261 -26.858 in (null):F-9999 (4) and CB(65) at 23.3844 12.9934 -24.4641 in (null):N-9999 (9) other bump:2.97736 Ang C(21) at 24.762 10.354 -24.485 in (null):S-9999 (3) and CB(65) at 23.3844 12.9934 -24.4641 in (null):N-9999 (9) other bump:3.20065 Ang CA(23) at 24.754 11.195 -26.73 in (null):F-9999 (4) and CB(65) at 23.3844 12.9934 -24.4641 in (null):N-9999 (9) other bump:1.87837 Ang O(20) at 23.957 11.231 -24.157 in (null):S-9999 (3) and CB(65) at 23.3844 12.9934 -24.4641 in (null):N-9999 (9) neighbor-bump: 2.72988 Ang OD1(45) at 22.6107 9.13558 -21.665 in (null):N-9999 (6) and CD(52) at 21.2629 10.6199 -19.8124 in (null):P-9999 (7) other bump:2.45338 Ang CB(13) at 23.701 10.844 -19.969 in (null):A-9999 (2) and CD(52) at 21.2629 10.6199 -19.8124 in (null):P-9999 (7) self-bump: 2.15817 Ang CA(49) at 20.336 12.685 -20.066 in (null):P-9999 (7) and CG(51) at 21.1602 11.4177 -18.5258 in (null):P-9999 (7) other bump:2.97787 Ang CB(13) at 23.701 10.844 -19.969 in (null):A-9999 (2) and CG(51) at 21.1602 11.4177 -18.5258 in (null):P-9999 (7) self-bump: 1.24158 Ang CA(49) at 20.336 12.685 -20.066 in (null):P-9999 (7) and CB(50) at 20.9295 12.8244 -18.9844 in (null):P-9999 (7) other bump:2.40741 Ang OG(19) at 23.1714 8.18718 -23.8056 in (null):S-9999 (3) and OD1(45) at 22.6107 9.13558 -21.665 in (null):N-9999 (6) other bump:2.64271 Ang CB(13) at 23.701 10.844 -19.969 in (null):A-9999 (2) and OD1(45) at 22.6107 9.13558 -21.665 in (null):N-9999 (6) other bump:2.4502 Ang OG(19) at 23.1714 8.18718 -23.8056 in (null):S-9999 (3) and CG(43) at 21.6338 8.29829 -21.9011 in (null):N-9999 (6) neighbor-bump: 2.10002 Ang CE1(28) at 23.1244 8.79543 -30.2825 in (null):F-9999 (4) and CG2(37) at 21.6751 8.53042 -28.7861 in (null):V-9999 (5) neighbor-bump: 2.57301 Ang CD1(26) at 23.6821 9.90712 -29.621 in (null):F-9999 (4) and CG2(37) at 21.6751 8.53042 -28.7861 in (null):V-9999 (5) neighbor-bump: 2.67167 Ang CZ(30) at 23.7402 7.54757 -30.1671 in (null):F-9999 (4) and CG2(37) at 21.6751 8.53042 -28.7861 in (null):V-9999 (5) Number of specific fragments= 1 total=963 # 1kekA.52.53 read from T0136.t2k.frag # found chain 1kekA in template set T0136 52 :EASFVNPNN 1kekA 55 :TLTIREMQS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2914 Ang CB(13) at -47.94 -58 24.523 in (null):A-9999 (2) and CE1(28) at -46.0621 -59.2319 24.0685 in (null):F-9999 (4) Number of specific fragments= 1 total=964 # 1b0pA.52.53 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 52 :EASFVNPNN 1b0pA 55 :TLTIREMQS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83625 Ang CB(13) at -47.383 -58.265 23.406 in (null):A-9999 (2) and CE1(28) at -45.2534 -60.0023 22.7055 in (null):F-9999 (4) Number of specific fragments= 1 total=965 # 1dmwA.52.55 read from T0136.t2k.frag # found chain 1dmwA in template set T0136 52 :EASFVNPNN 1dmwA 173 :PIPRVEYME Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38605 Ang CA(64) at 10.24 2.681 1.851 in (null):N-9999 (9) and CB(65) at 11.2747 1.87026 1.41143 in (null):N-9999 (9) Number of specific fragments= 1 total=966 # 1php.53.54 read from T0136.t2k.frag # found chain 1php in training set T0136 53 :ASFVNPNND 1php 55 :ILASHLGRP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44613 Ang O(37) at 34.714 7.536 20.916 in (null):N-9999 (5) and CD(43) at 32.5435 8.3095 20.095 in (null):P-9999 (6) neighbor-bump: 1.71792 Ang C(38) at 33.521 7.17 20.93 in (null):N-9999 (5) and CD(43) at 32.5435 8.3095 20.095 in (null):P-9999 (6) neighbor-bump: 2.59834 Ang C(38) at 33.521 7.17 20.93 in (null):N-9999 (5) and CG(42) at 33.2673 9.62621 20.1213 in (null):P-9999 (6) Number of specific fragments= 1 total=967 # 1eguA.53.56 read from T0136.t2k.frag # found chain 1eguA in training set T0136 53 :ASFVNPNND 1eguA 224 :YLWEKFSNY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11698 Ang O(22) at 10.248 9.379 25.932 in (null):F-9999 (3) and OD1(51) at 11.9239 10.6566 26.1338 in (null):N-9999 (7) other bump:2.5648 Ang C(23) at 9.472 10.234 25.511 in (null):F-9999 (3) and OD1(51) at 11.9239 10.6566 26.1338 in (null):N-9999 (7) other bump:2.57111 Ang CA(25) at 9.946 11.727 27.38 in (null):V-9999 (4) and OD1(51) at 11.9239 10.6566 26.1338 in (null):N-9999 (7) other bump:2.81582 Ang CA(25) at 9.946 11.727 27.38 in (null):V-9999 (4) and ND2(50) at 12.7027 12.2953 27.4619 in (null):N-9999 (7) other bump:2.84271 Ang CA(25) at 9.946 11.727 27.38 in (null):V-9999 (4) and CG(49) at 12.6814 11.0379 27.0281 in (null):N-9999 (7) neighbor-bump: 2.01732 Ang CA(32) at 8.201 9.15 29.57 in (null):N-9999 (5) and CD(43) at 8.20604 7.36786 28.6247 in (null):P-9999 (6) neighbor-bump: 2.19288 Ang CB(33) at 6.79559 8.74269 29.5887 in (null):N-9999 (5) and CD(43) at 8.20604 7.36786 28.6247 in (null):P-9999 (6) neighbor-bump: 2.16139 Ang O(37) at 9.478 7.28 30.37 in (null):N-9999 (5) and CD(43) at 8.20604 7.36786 28.6247 in (null):P-9999 (6) neighbor-bump: 1.32948 Ang C(38) at 9.12 7.946 29.398 in (null):N-9999 (5) and CD(43) at 8.20604 7.36786 28.6247 in (null):P-9999 (6) neighbor-bump: 2.52023 Ang C(38) at 9.12 7.946 29.398 in (null):N-9999 (5) and CG(42) at 8.14641 5.88023 28.332 in (null):P-9999 (6) Number of specific fragments= 1 total=968 # 1k6dA.53.54 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 53 :ASFVNPNND 1k6dA 55 :AFVDTGIGP Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.34775 Ang O(0) at 25.596 13.015 -21.553 in (null):G-9999 (0) and OD1(59) at 25.0941 13.1732 -22.7938 in (null):N-9999 (8) other bump:2.55753 Ang C(1) at 25.898 13.099 -20.367 in (null):G-9999 (0) and OD1(59) at 25.0941 13.1732 -22.7938 in (null):N-9999 (8) other bump:1.87512 Ang CA(8) at 25.297 9.366 -23.448 in (null):S-9999 (2) and ND2(58) at 24.6647 11.1236 -23.6125 in (null):N-9999 (8) other bump:1.16748 Ang C(12) at 24.762 10.354 -24.485 in (null):S-9999 (2) and ND2(58) at 24.6647 11.1236 -23.6125 in (null):N-9999 (8) other bump:2.36029 Ang N(13) at 25.205 10.239 -25.733 in (null):F-9999 (3) and ND2(58) at 24.6647 11.1236 -23.6125 in (null):N-9999 (8) other bump:2.78772 Ang C(6) at 25.798 10.264 -21.215 in (null):A-9999 (1) and ND2(58) at 24.6647 11.1236 -23.6125 in (null):N-9999 (8) other bump:1.97555 Ang N(7) at 24.907 9.851 -22.121 in (null):S-9999 (2) and ND2(58) at 24.6647 11.1236 -23.6125 in (null):N-9999 (8) other bump:0.899339 Ang O(11) at 23.957 11.231 -24.157 in (null):S-9999 (2) and ND2(58) at 24.6647 11.1236 -23.6125 in (null):N-9999 (8) other bump:3.18446 Ang CA(8) at 25.297 9.366 -23.448 in (null):S-9999 (2) and CG(57) at 24.4563 12.4359 -23.5478 in (null):N-9999 (8) other bump:2.30347 Ang C(12) at 24.762 10.354 -24.485 in (null):S-9999 (2) and CG(57) at 24.4563 12.4359 -23.5478 in (null):N-9999 (8) other bump:2.98669 Ang N(7) at 24.907 9.851 -22.121 in (null):S-9999 (2) and CG(57) at 24.4563 12.4359 -23.5478 in (null):N-9999 (8) other bump:1.4395 Ang O(11) at 23.957 11.231 -24.157 in (null):S-9999 (2) and CG(57) at 24.4563 12.4359 -23.5478 in (null):N-9999 (8) other bump:2.36927 Ang O(0) at 25.596 13.015 -21.553 in (null):G-9999 (0) and CG(57) at 24.4563 12.4359 -23.5478 in (null):N-9999 (8) other bump:2.95842 Ang C(23) at 23.241 11.261 -26.858 in (null):F-9999 (3) and CB(56) at 23.3844 12.9934 -24.4641 in (null):N-9999 (8) other bump:2.97736 Ang C(12) at 24.762 10.354 -24.485 in (null):S-9999 (2) and CB(56) at 23.3844 12.9934 -24.4641 in (null):N-9999 (8) other bump:3.20066 Ang CA(14) at 24.754 11.195 -26.73 in (null):F-9999 (3) and CB(56) at 23.3844 12.9934 -24.4641 in (null):N-9999 (8) other bump:1.87837 Ang O(11) at 23.957 11.231 -24.157 in (null):S-9999 (2) and CB(56) at 23.3844 12.9934 -24.4641 in (null):N-9999 (8) other bump:2.45338 Ang CB(4) at 23.701 10.844 -19.969 in (null):A-9999 (1) and CD(43) at 21.2629 10.6199 -19.8124 in (null):P-9999 (6) neighbor-bump: 2.72988 Ang OD1(36) at 22.6107 9.13558 -21.665 in (null):N-9999 (5) and CD(43) at 21.2629 10.6199 -19.8124 in (null):P-9999 (6) self-bump: 2.15817 Ang CA(40) at 20.336 12.685 -20.066 in (null):P-9999 (6) and CG(42) at 21.1602 11.4177 -18.5258 in (null):P-9999 (6) other bump:2.97787 Ang CB(4) at 23.701 10.844 -19.969 in (null):A-9999 (1) and CG(42) at 21.1602 11.4177 -18.5258 in (null):P-9999 (6) self-bump: 1.24158 Ang CA(40) at 20.336 12.685 -20.066 in (null):P-9999 (6) and CB(41) at 20.9295 12.8244 -18.9844 in (null):P-9999 (6) other bump:2.40741 Ang OG(10) at 23.1714 8.18718 -23.8056 in (null):S-9999 (2) and OD1(36) at 22.6107 9.13558 -21.665 in (null):N-9999 (5) other bump:2.64271 Ang CB(4) at 23.701 10.844 -19.969 in (null):A-9999 (1) and OD1(36) at 22.6107 9.13558 -21.665 in (null):N-9999 (5) other bump:2.4502 Ang OG(10) at 23.1714 8.18718 -23.8056 in (null):S-9999 (2) and CG(34) at 21.6338 8.29829 -21.9011 in (null):N-9999 (5) neighbor-bump: 2.57301 Ang CD1(17) at 23.6821 9.90712 -29.621 in (null):F-9999 (3) and CG2(28) at 21.6751 8.53042 -28.7861 in (null):V-9999 (4) neighbor-bump: 2.10002 Ang CE1(19) at 23.1244 8.79543 -30.2825 in (null):F-9999 (3) and CG2(28) at 21.6751 8.53042 -28.7861 in (null):V-9999 (4) neighbor-bump: 2.67167 Ang CZ(21) at 23.7402 7.54757 -30.1671 in (null):F-9999 (3) and CG2(28) at 21.6751 8.53042 -28.7861 in (null):V-9999 (4) Number of specific fragments= 1 total=969 # 1kekA.53.54 read from T0136.t2k.frag # found chain 1kekA in template set T0136 53 :ASFVNPNND 1kekA 56 :LTIREMQSE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80992 Ang OD1(59) at -27.6821 -55.9993 25.1476 in (null):N-9999 (8) and CA(71) at -28.161 -55.597 27.887 in (null):G-9999 (10) other bump:2.2914 Ang CB(4) at -47.94 -58 24.523 in (null):A-9999 (1) and CE1(19) at -46.0621 -59.2319 24.0685 in (null):F-9999 (3) Number of specific fragments= 1 total=970 # 1b0pA.53.54 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 53 :ASFVNPNND 1b0pA 56 :LTIREMQSE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.83625 Ang CB(4) at -47.383 -58.265 23.406 in (null):A-9999 (1) and CE1(19) at -45.2534 -60.0023 22.7055 in (null):F-9999 (3) Number of specific fragments= 1 total=971 # 1nozA.53.53 read from T0136.t2k.frag # adding 1nozA to template set 1nozA:# found chain 1nozA in template set T0136 53 :ASFVNPNND 1nozA 54 :NCAPQKFPS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20224 Ang OD1(59) at 32.651 25.3249 -34.7631 in (null):N-9999 (8) and OD1(66) at 33.3158 25.2481 -36.8612 in (null):D-9999 (9) neighbor-bump: 2.59807 Ang OD1(59) at 32.651 25.3249 -34.7631 in (null):N-9999 (8) and CG(65) at 33.031 24.038 -36.9879 in (null):D-9999 (9) neighbor-bump: 2.07364 Ang OD1(59) at 32.651 25.3249 -34.7631 in (null):N-9999 (8) and N(62) at 34.533 24.493 -34.506 in (null):D-9999 (9) self-bump: 1.37273 Ang CA(55) at 33.784 25.067 -32.331 in (null):N-9999 (8) and CB(56) at 32.4136 25.0296 -32.4021 in (null):N-9999 (8) neighbor-bump: 2.25593 Ang CD1(17) at 37.0406 33.4827 -22.8958 in (null):F-9999 (3) and O(29) at 38.158 32.611 -24.651 in (null):V-9999 (4) neighbor-bump: 2.39042 Ang CE1(19) at 37.0418 32.1345 -22.5916 in (null):F-9999 (3) and O(29) at 38.158 32.611 -24.651 in (null):V-9999 (4) Number of specific fragments= 1 total=972 # 1php.54.55 read from T0136.t2k.frag # found chain 1php in training set T0136 54 :SFVNPNNDV 1php 56 :LASHLGRPK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44613 Ang O(32) at 34.714 7.536 20.916 in (null):N-9999 (4) and CD(38) at 32.5435 8.3095 20.095 in (null):P-9999 (5) neighbor-bump: 1.71792 Ang C(33) at 33.521 7.17 20.93 in (null):N-9999 (4) and CD(38) at 32.5435 8.3095 20.095 in (null):P-9999 (5) neighbor-bump: 2.59834 Ang C(33) at 33.521 7.17 20.93 in (null):N-9999 (4) and CG(37) at 33.2673 9.62622 20.1213 in (null):P-9999 (5) Number of specific fragments= 1 total=973 # 1k6dA.54.55 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 54 :SFVNPNNDV 1k6dA 56 :FVDTGIGPL Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87512 Ang CA(3) at 25.297 9.366 -23.448 in (null):S-9999 (1) and ND2(53) at 24.6647 11.1236 -23.6125 in (null):N-9999 (7) other bump:1.16748 Ang C(7) at 24.762 10.354 -24.485 in (null):S-9999 (1) and ND2(53) at 24.6647 11.1236 -23.6125 in (null):N-9999 (7) other bump:2.36029 Ang N(8) at 25.205 10.239 -25.733 in (null):F-9999 (2) and ND2(53) at 24.6647 11.1236 -23.6125 in (null):N-9999 (7) other bump:2.78772 Ang C(1) at 25.798 10.264 -21.215 in (null):G-9999 (0) and ND2(53) at 24.6647 11.1236 -23.6125 in (null):N-9999 (7) other bump:1.97555 Ang N(2) at 24.907 9.851 -22.121 in (null):S-9999 (1) and ND2(53) at 24.6647 11.1236 -23.6125 in (null):N-9999 (7) other bump:0.899339 Ang O(6) at 23.957 11.231 -24.157 in (null):S-9999 (1) and ND2(53) at 24.6647 11.1236 -23.6125 in (null):N-9999 (7) other bump:3.18446 Ang CA(3) at 25.297 9.366 -23.448 in (null):S-9999 (1) and CG(52) at 24.4563 12.4359 -23.5478 in (null):N-9999 (7) other bump:2.30347 Ang C(7) at 24.762 10.354 -24.485 in (null):S-9999 (1) and CG(52) at 24.4563 12.4359 -23.5478 in (null):N-9999 (7) other bump:2.98669 Ang N(2) at 24.907 9.851 -22.121 in (null):S-9999 (1) and CG(52) at 24.4563 12.4359 -23.5478 in (null):N-9999 (7) other bump:1.4395 Ang O(6) at 23.957 11.231 -24.157 in (null):S-9999 (1) and CG(52) at 24.4563 12.4359 -23.5478 in (null):N-9999 (7) other bump:2.95842 Ang C(18) at 23.241 11.261 -26.858 in (null):F-9999 (2) and CB(51) at 23.3844 12.9934 -24.4641 in (null):N-9999 (7) other bump:2.97736 Ang C(7) at 24.762 10.354 -24.485 in (null):S-9999 (1) and CB(51) at 23.3844 12.9934 -24.4641 in (null):N-9999 (7) other bump:3.20066 Ang CA(9) at 24.754 11.195 -26.73 in (null):F-9999 (2) and CB(51) at 23.3844 12.9934 -24.4641 in (null):N-9999 (7) other bump:1.87837 Ang O(6) at 23.957 11.231 -24.157 in (null):S-9999 (1) and CB(51) at 23.3844 12.9934 -24.4641 in (null):N-9999 (7) neighbor-bump: 2.72989 Ang OD1(31) at 22.6107 9.13558 -21.6651 in (null):N-9999 (4) and CD(38) at 21.2629 10.6199 -19.8124 in (null):P-9999 (5) self-bump: 2.15816 Ang CA(35) at 20.336 12.685 -20.066 in (null):P-9999 (5) and CG(37) at 21.1602 11.4177 -18.5258 in (null):P-9999 (5) self-bump: 1.24158 Ang CA(35) at 20.336 12.685 -20.066 in (null):P-9999 (5) and CB(36) at 20.9295 12.8244 -18.9844 in (null):P-9999 (5) other bump:2.40741 Ang OG(5) at 23.1714 8.18718 -23.8056 in (null):S-9999 (1) and OD1(31) at 22.6107 9.13558 -21.6651 in (null):N-9999 (4) other bump:2.4502 Ang OG(5) at 23.1714 8.18718 -23.8056 in (null):S-9999 (1) and CG(29) at 21.6338 8.29829 -21.9011 in (null):N-9999 (4) neighbor-bump: 2.573 Ang CD1(12) at 23.6821 9.90712 -29.621 in (null):F-9999 (2) and CG2(23) at 21.6751 8.53043 -28.7861 in (null):V-9999 (3) neighbor-bump: 2.10001 Ang CE1(14) at 23.1244 8.79542 -30.2825 in (null):F-9999 (2) and CG2(23) at 21.6751 8.53043 -28.7861 in (null):V-9999 (3) neighbor-bump: 2.67166 Ang CZ(16) at 23.7402 7.54756 -30.1671 in (null):F-9999 (2) and CG2(23) at 21.6751 8.53043 -28.7861 in (null):V-9999 (3) Number of specific fragments= 1 total=974 # 1eguA.54.57 read from T0136.t2k.frag # found chain 1eguA in training set T0136 54 :SFVNPNNDV 1eguA 225 :LWEKFSNYK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11698 Ang O(17) at 10.248 9.379 25.932 in (null):F-9999 (2) and OD1(46) at 11.9239 10.6566 26.1338 in (null):N-9999 (6) other bump:2.5648 Ang C(18) at 9.472 10.234 25.511 in (null):F-9999 (2) and OD1(46) at 11.9239 10.6566 26.1338 in (null):N-9999 (6) other bump:2.57111 Ang CA(20) at 9.946 11.727 27.38 in (null):V-9999 (3) and OD1(46) at 11.9239 10.6566 26.1338 in (null):N-9999 (6) other bump:2.81582 Ang CA(20) at 9.946 11.727 27.38 in (null):V-9999 (3) and ND2(45) at 12.7027 12.2953 27.4619 in (null):N-9999 (6) other bump:2.84272 Ang CA(20) at 9.946 11.727 27.38 in (null):V-9999 (3) and CG(44) at 12.6814 11.0379 27.0281 in (null):N-9999 (6) neighbor-bump: 2.01732 Ang CA(27) at 8.201 9.15 29.57 in (null):N-9999 (4) and CD(38) at 8.20604 7.36786 28.6247 in (null):P-9999 (5) neighbor-bump: 2.19288 Ang CB(28) at 6.79559 8.74269 29.5887 in (null):N-9999 (4) and CD(38) at 8.20604 7.36786 28.6247 in (null):P-9999 (5) neighbor-bump: 1.32948 Ang C(33) at 9.12 7.946 29.398 in (null):N-9999 (4) and CD(38) at 8.20604 7.36786 28.6247 in (null):P-9999 (5) neighbor-bump: 2.16139 Ang O(32) at 9.478 7.28 30.37 in (null):N-9999 (4) and CD(38) at 8.20604 7.36786 28.6247 in (null):P-9999 (5) neighbor-bump: 2.52023 Ang C(33) at 9.12 7.946 29.398 in (null):N-9999 (4) and CG(37) at 8.14641 5.88023 28.332 in (null):P-9999 (5) Number of specific fragments= 1 total=975 # 1kekA.54.55 read from T0136.t2k.frag # found chain 1kekA in template set T0136 54 :SFVNPNNDV 1kekA 57 :TIREMQSEA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80992 Ang OD1(54) at -27.6821 -55.9993 25.1476 in (null):N-9999 (7) and CA(66) at -28.161 -55.597 27.887 in (null):V-9999 (9) Number of specific fragments= 1 total=976 # 1b0pA.54.55 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 54 :SFVNPNNDV 1b0pA 57 :TIREMQSEA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07239 Ang OD1(54) at -27.2549 -56.8197 23.7062 in (null):N-9999 (7) and N(72) at -28.765 -55.789 24.682 in (null):G-9999 (10) other bump:2.8202 Ang OD1(54) at -27.2549 -56.8197 23.7062 in (null):N-9999 (7) and C(71) at -28.465 -55.64 25.964 in (null):V-9999 (9) Number of specific fragments= 1 total=977 # 1nozA.54.54 read from T0136.t2k.frag # found chain 1nozA in template set T0136 54 :SFVNPNNDV 1nozA 55 :CAPQKFPSM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5503 Ang OD1(54) at 32.651 25.3249 -34.7631 in (null):N-9999 (7) and CG(60) at 32.4684 23.2712 -36.2641 in (null):D-9999 (8) neighbor-bump: 2.71236 Ang OD1(54) at 32.651 25.3249 -34.7631 in (null):N-9999 (7) and CB(59) at 33.8099 23.8155 -36.6959 in (null):D-9999 (8) neighbor-bump: 2.07364 Ang OD1(54) at 32.651 25.3249 -34.7631 in (null):N-9999 (7) and N(57) at 34.533 24.493 -34.506 in (null):D-9999 (8) self-bump: 1.37273 Ang CA(50) at 33.784 25.067 -32.331 in (null):N-9999 (7) and CB(51) at 32.4136 25.0296 -32.4021 in (null):N-9999 (7) neighbor-bump: 2.25593 Ang CD1(12) at 37.0406 33.4827 -22.8958 in (null):F-9999 (2) and O(24) at 38.158 32.611 -24.651 in (null):V-9999 (3) neighbor-bump: 2.39042 Ang CE1(14) at 37.0418 32.1345 -22.5916 in (null):F-9999 (2) and O(24) at 38.158 32.611 -24.651 in (null):V-9999 (3) Number of specific fragments= 1 total=978 # 1php.55.56 read from T0136.t2k.frag # found chain 1php in training set T0136 55 :FVNPNNDVS 1php 57 :ASHLGRPKG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44613 Ang O(26) at 34.714 7.536 20.916 in (null):N-9999 (3) and CD(32) at 32.5435 8.3095 20.095 in (null):P-9999 (4) neighbor-bump: 1.71791 Ang C(27) at 33.521 7.17 20.93 in (null):N-9999 (3) and CD(32) at 32.5435 8.3095 20.095 in (null):P-9999 (4) neighbor-bump: 2.59834 Ang C(27) at 33.521 7.17 20.93 in (null):N-9999 (3) and CG(31) at 33.2673 9.62622 20.1213 in (null):P-9999 (4) Number of specific fragments= 1 total=979 # 1k6dA.55.56 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 55 :FVNPNNDVS 1k6dA 57 :VDTGIGPLI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.16748 Ang C(1) at 24.762 10.354 -24.485 in (null):G-9999 (0) and ND2(47) at 24.6647 11.1236 -23.6125 in (null):N-9999 (6) other bump:2.36029 Ang N(2) at 25.205 10.239 -25.733 in (null):F-9999 (1) and ND2(47) at 24.6647 11.1236 -23.6125 in (null):N-9999 (6) other bump:0.899339 Ang O(0) at 23.957 11.231 -24.157 in (null):G-9999 (0) and ND2(47) at 24.6647 11.1236 -23.6125 in (null):N-9999 (6) other bump:2.30347 Ang C(1) at 24.762 10.354 -24.485 in (null):G-9999 (0) and CG(46) at 24.4563 12.4359 -23.5478 in (null):N-9999 (6) other bump:1.4395 Ang O(0) at 23.957 11.231 -24.157 in (null):G-9999 (0) and CG(46) at 24.4563 12.4359 -23.5478 in (null):N-9999 (6) other bump:2.97736 Ang C(1) at 24.762 10.354 -24.485 in (null):G-9999 (0) and CB(45) at 23.3844 12.9934 -24.4641 in (null):N-9999 (6) other bump:1.87837 Ang O(0) at 23.957 11.231 -24.157 in (null):G-9999 (0) and CB(45) at 23.3844 12.9934 -24.4641 in (null):N-9999 (6) other bump:3.20066 Ang CA(3) at 24.754 11.195 -26.73 in (null):F-9999 (1) and CB(45) at 23.3844 12.9934 -24.4641 in (null):N-9999 (6) other bump:2.95842 Ang C(12) at 23.241 11.261 -26.858 in (null):F-9999 (1) and CB(45) at 23.3844 12.9934 -24.4641 in (null):N-9999 (6) neighbor-bump: 2.72988 Ang OD1(25) at 22.6107 9.13559 -21.665 in (null):N-9999 (3) and CD(32) at 21.2629 10.6199 -19.8124 in (null):P-9999 (4) self-bump: 2.15817 Ang CA(29) at 20.336 12.685 -20.066 in (null):P-9999 (4) and CG(31) at 21.1602 11.4177 -18.5258 in (null):P-9999 (4) self-bump: 1.24158 Ang CA(29) at 20.336 12.685 -20.066 in (null):P-9999 (4) and CB(30) at 20.9295 12.8244 -18.9844 in (null):P-9999 (4) Number of specific fragments= 1 total=980 # 1eguA.55.58 read from T0136.t2k.frag # found chain 1eguA in training set T0136 55 :FVNPNNDVS 1eguA 226 :WEKFSNYKT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11698 Ang O(11) at 10.248 9.379 25.932 in (null):F-9999 (1) and OD1(40) at 11.9239 10.6566 26.1338 in (null):N-9999 (5) other bump:2.5648 Ang C(12) at 9.472 10.234 25.511 in (null):F-9999 (1) and OD1(40) at 11.9239 10.6566 26.1338 in (null):N-9999 (5) other bump:2.57111 Ang CA(14) at 9.946 11.727 27.38 in (null):V-9999 (2) and OD1(40) at 11.9239 10.6566 26.1338 in (null):N-9999 (5) other bump:2.81582 Ang CA(14) at 9.946 11.727 27.38 in (null):V-9999 (2) and ND2(39) at 12.7027 12.2953 27.4619 in (null):N-9999 (5) other bump:2.84271 Ang CA(14) at 9.946 11.727 27.38 in (null):V-9999 (2) and CG(38) at 12.6814 11.0379 27.0281 in (null):N-9999 (5) neighbor-bump: 2.01732 Ang CA(21) at 8.201 9.15 29.57 in (null):N-9999 (3) and CD(32) at 8.20604 7.36786 28.6247 in (null):P-9999 (4) neighbor-bump: 2.19288 Ang CB(22) at 6.79559 8.74269 29.5887 in (null):N-9999 (3) and CD(32) at 8.20604 7.36786 28.6247 in (null):P-9999 (4) neighbor-bump: 2.16138 Ang O(26) at 9.478 7.28 30.37 in (null):N-9999 (3) and CD(32) at 8.20604 7.36786 28.6247 in (null):P-9999 (4) neighbor-bump: 1.32948 Ang C(27) at 9.12 7.946 29.398 in (null):N-9999 (3) and CD(32) at 8.20604 7.36786 28.6247 in (null):P-9999 (4) neighbor-bump: 2.52023 Ang C(27) at 9.12 7.946 29.398 in (null):N-9999 (3) and CG(31) at 8.14641 5.88023 28.332 in (null):P-9999 (4) Number of specific fragments= 1 total=981 # 1nozA.55.55 read from T0136.t2k.frag # found chain 1nozA in template set T0136 55 :FVNPNNDVS 1nozA 56 :APQKFPSMK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5503 Ang OD1(48) at 32.651 25.3249 -34.7631 in (null):N-9999 (6) and CG(54) at 32.4684 23.2712 -36.2641 in (null):D-9999 (7) neighbor-bump: 2.71236 Ang OD1(48) at 32.651 25.3249 -34.7631 in (null):N-9999 (6) and CB(53) at 33.8099 23.8155 -36.6959 in (null):D-9999 (7) neighbor-bump: 2.07364 Ang OD1(48) at 32.651 25.3249 -34.7631 in (null):N-9999 (6) and N(51) at 34.533 24.493 -34.506 in (null):D-9999 (7) self-bump: 1.37273 Ang CA(44) at 33.784 25.067 -32.331 in (null):N-9999 (6) and CB(45) at 32.4136 25.0296 -32.4021 in (null):N-9999 (6) Number of specific fragments= 1 total=982 # 1kekA.55.56 read from T0136.t2k.frag # found chain 1kekA in template set T0136 55 :FVNPNNDVS 1kekA 58 :IREMQSEAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80992 Ang OD1(48) at -27.6821 -55.9993 25.1476 in (null):N-9999 (6) and CA(60) at -28.161 -55.597 27.887 in (null):V-9999 (8) Number of specific fragments= 1 total=983 # 1b0pA.55.56 read from T0136.t2k.frag # found chain 1b0pA in template set T0136 55 :FVNPNNDVS 1b0pA 58 :IREMQSEAG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.97499 Ang OD1(40) at -27.5328 -55.552 20.4957 in (null):N-9999 (5) and OG(69) at -28.2374 -54.5484 22.0439 in (null):S-9999 (9) other bump:2.07238 Ang OD1(48) at -27.2549 -56.8197 23.7062 in (null):N-9999 (6) and N(66) at -28.765 -55.789 24.682 in (null):S-9999 (9) other bump:2.8202 Ang OD1(48) at -27.2549 -56.8197 23.7062 in (null):N-9999 (6) and C(65) at -28.465 -55.64 25.964 in (null):V-9999 (8) Number of specific fragments= 1 total=984 # 1php.56.57 read from T0136.t2k.frag # found chain 1php in training set T0136 56 :VNPNNDVSP 1php 58 :SHLGRPKGK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.89706 Ang C(16) at 33.521 7.17 20.93 in (null):N-9999 (2) and CD(21) at 32.3353 8.4151 20.1283 in (null):P-9999 (3) self-bump: 1.39924 Ang CA(18) at 32.923 9.103 22.335 in (null):P-9999 (3) and CB(19) at 33.0794 10.1933 21.4721 in (null):P-9999 (3) neighbor-bump: 2.52274 Ang CG1(5) at 36.0536 7.45591 18.7798 in (null):V-9999 (1) and O(15) at 34.714 7.536 20.916 in (null):N-9999 (2) Number of specific fragments= 1 total=985 # 1k6dA.56.57 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 56 :VNPNNDVSP 1k6dA 58 :DTGIGPLIV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.60783 Ang O(38) at 23.302 15.747 -26.247 in (null):N-9999 (5) and CD(65) at 24.0796 16.5956 -27.3696 in (null):P-9999 (9) other bump:2.82736 Ang C(39) at 22.586 15.096 -25.495 in (null):N-9999 (5) and CD(65) at 24.0796 16.5956 -27.3696 in (null):P-9999 (9) other bump:2.21257 Ang O(38) at 23.302 15.747 -26.247 in (null):N-9999 (5) and CG(64) at 24.2487 15.3404 -28.205 in (null):P-9999 (9) other bump:3.18881 Ang C(39) at 22.586 15.096 -25.495 in (null):N-9999 (5) and CG(64) at 24.2487 15.3404 -28.205 in (null):P-9999 (9) other bump:2.95842 Ang C(1) at 23.241 11.261 -26.858 in (null):G-9999 (0) and CB(34) at 23.3844 12.9934 -24.4641 in (null):N-9999 (5) neighbor-bump: 2.72988 Ang OD1(14) at 22.6107 9.13559 -21.6651 in (null):N-9999 (2) and CD(21) at 21.2629 10.6199 -19.8124 in (null):P-9999 (3) self-bump: 2.15817 Ang CA(18) at 20.336 12.685 -20.066 in (null):P-9999 (3) and CG(20) at 21.1602 11.4177 -18.5258 in (null):P-9999 (3) self-bump: 1.24158 Ang CA(18) at 20.336 12.685 -20.066 in (null):P-9999 (3) and CB(19) at 20.9295 12.8244 -18.9844 in (null):P-9999 (3) Number of specific fragments= 1 total=986 # 1nozA.56.56 read from T0136.t2k.frag # found chain 1nozA in template set T0136 56 :VNPNNDVSP 1nozA 57 :PQKFPSMKD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45127 Ang CB(42) at 33.8099 23.8155 -36.6959 in (null):D-9999 (6) and CD(65) at 34.767 25.9673 -37.3758 in (null):P-9999 (9) other bump:2.97973 Ang CA(41) at 34.963 23.616 -35.556 in (null):D-9999 (6) and CD(65) at 34.767 25.9673 -37.3758 in (null):P-9999 (9) other bump:2.51073 Ang C(47) at 36.167 24.148 -36.359 in (null):D-9999 (6) and CD(65) at 34.767 25.9673 -37.3758 in (null):P-9999 (9) other bump:2.03831 Ang O(46) at 36.463 25.365 -36.419 in (null):D-9999 (6) and CD(65) at 34.767 25.9673 -37.3758 in (null):P-9999 (9) neighbor-bump: 2.5503 Ang OD1(37) at 32.651 25.3249 -34.7631 in (null):N-9999 (5) and CG(43) at 32.4684 23.2712 -36.2641 in (null):D-9999 (6) neighbor-bump: 2.71236 Ang OD1(37) at 32.651 25.3249 -34.7631 in (null):N-9999 (5) and CB(42) at 33.8099 23.8155 -36.6959 in (null):D-9999 (6) neighbor-bump: 2.07364 Ang OD1(37) at 32.651 25.3249 -34.7631 in (null):N-9999 (5) and N(40) at 34.533 24.493 -34.506 in (null):D-9999 (6) self-bump: 1.37273 Ang CA(33) at 33.784 25.067 -32.331 in (null):N-9999 (5) and CB(34) at 32.4136 25.0296 -32.4021 in (null):N-9999 (5) Number of specific fragments= 1 total=987 # 1eguA.56.59 read from T0136.t2k.frag # found chain 1eguA in training set T0136 56 :VNPNNDVSP 1eguA 227 :EKFSNYKTS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5648 Ang C(1) at 9.472 10.234 25.511 in (null):G-9999 (0) and OD1(29) at 11.9239 10.6566 26.1338 in (null):N-9999 (4) other bump:2.11698 Ang O(0) at 10.248 9.379 25.932 in (null):G-9999 (0) and OD1(29) at 11.9239 10.6566 26.1338 in (null):N-9999 (4) other bump:2.57111 Ang CA(3) at 9.946 11.727 27.38 in (null):V-9999 (1) and OD1(29) at 11.9239 10.6566 26.1338 in (null):N-9999 (4) other bump:2.81582 Ang CA(3) at 9.946 11.727 27.38 in (null):V-9999 (1) and ND2(28) at 12.7027 12.2953 27.4619 in (null):N-9999 (4) other bump:2.84271 Ang CA(3) at 9.946 11.727 27.38 in (null):V-9999 (1) and CG(27) at 12.6814 11.0379 27.0281 in (null):N-9999 (4) neighbor-bump: 2.01732 Ang CA(10) at 8.201 9.15 29.57 in (null):N-9999 (2) and CD(21) at 8.20604 7.36786 28.6247 in (null):P-9999 (3) neighbor-bump: 2.19288 Ang CB(11) at 6.79559 8.74269 29.5887 in (null):N-9999 (2) and CD(21) at 8.20604 7.36786 28.6247 in (null):P-9999 (3) neighbor-bump: 2.16138 Ang O(15) at 9.478 7.28 30.37 in (null):N-9999 (2) and CD(21) at 8.20604 7.36786 28.6247 in (null):P-9999 (3) neighbor-bump: 1.32948 Ang C(16) at 9.12 7.946 29.398 in (null):N-9999 (2) and CD(21) at 8.20604 7.36786 28.6247 in (null):P-9999 (3) neighbor-bump: 2.52023 Ang C(16) at 9.12 7.946 29.398 in (null):N-9999 (2) and CG(20) at 8.14641 5.88023 28.332 in (null):P-9999 (3) Number of specific fragments= 1 total=988 # 2wsyB.56.58 read from T0136.t2k.frag # found chain 2wsyB in template set T0136 56 :VNPNNDVSP 2wsyB 60 :TKCQNITAG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.61861 Ang CA(56) at 108.874 5.692 20.678 in (null):S-9999 (8) and CD(65) at 109.775 6.50212 21.7516 in (null):P-9999 (9) neighbor-bump: 2.1108 Ang CB(57) at 109.909 6.17492 19.6707 in (null):S-9999 (8) and CD(65) at 109.775 6.50212 21.7516 in (null):P-9999 (9) neighbor-bump: 0.709857 Ang C(60) at 109.113 6.421 21.996 in (null):S-9999 (8) and CD(65) at 109.775 6.50212 21.7516 in (null):P-9999 (9) self-bump: 1.36598 Ang N(61) at 109.831 5.774 22.906 in (null):P-9999 (9) and CD(65) at 109.775 6.50212 21.7516 in (null):P-9999 (9) neighbor-bump: 1.59703 Ang O(59) at 108.647 7.546 22.187 in (null):S-9999 (8) and CD(65) at 109.775 6.50212 21.7516 in (null):P-9999 (9) neighbor-bump: 3.00802 Ang CA(56) at 108.874 5.692 20.678 in (null):S-9999 (8) and CG(64) at 110.272 7.85032 22.2384 in (null):P-9999 (9) neighbor-bump: 3.08745 Ang CB(57) at 109.909 6.17492 19.6707 in (null):S-9999 (8) and CG(64) at 110.272 7.85032 22.2384 in (null):P-9999 (9) neighbor-bump: 1.85619 Ang C(60) at 109.113 6.421 21.996 in (null):S-9999 (8) and CG(64) at 110.272 7.85032 22.2384 in (null):P-9999 (9) neighbor-bump: 1.65423 Ang O(59) at 108.647 7.546 22.187 in (null):S-9999 (8) and CG(64) at 110.272 7.85032 22.2384 in (null):P-9999 (9) neighbor-bump: 2.35516 Ang C(60) at 109.113 6.421 21.996 in (null):S-9999 (8) and CB(63) at 109.849 7.90031 23.6741 in (null):P-9999 (9) neighbor-bump: 1.94495 Ang O(59) at 108.647 7.546 22.187 in (null):S-9999 (8) and CB(63) at 109.849 7.90031 23.6741 in (null):P-9999 (9) Number of specific fragments= 1 total=989 # 1kekA.56.57 read from T0136.t2k.frag # found chain 1kekA in template set T0136 56 :VNPNNDVSP 1kekA 59 :REMQSEAGA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.55326 Ang O(38) at -30.457 -57.295 24.506 in (null):N-9999 (5) and CD(65) at -31.3217 -56.3999 25.4353 in (null):P-9999 (9) other bump:3.0705 Ang CA(41) at -29.951 -58.78 26.808 in (null):D-9999 (6) and CD(65) at -31.3217 -56.3999 25.4353 in (null):P-9999 (9) other bump:2.63714 Ang C(39) at -29.524 -58.1 24.523 in (null):N-9999 (5) and CD(65) at -31.3217 -56.3999 25.4353 in (null):P-9999 (9) other bump:2.90669 Ang C(47) at -29.657 -57.498 27.55 in (null):D-9999 (6) and CD(65) at -31.3217 -56.3999 25.4353 in (null):P-9999 (9) other bump:2.82775 Ang CG(20) at -34.1486 -56.3577 23.3317 in (null):P-9999 (3) and CG(64) at -32.4519 -57.4073 25.3356 in (null):P-9999 (9) other bump:2.16345 Ang O(38) at -30.457 -57.295 24.506 in (null):N-9999 (5) and CG(64) at -32.4519 -57.4073 25.3356 in (null):P-9999 (9) other bump:3.21045 Ang CA(41) at -29.951 -58.78 26.808 in (null):D-9999 (6) and CG(64) at -32.4519 -57.4073 25.3356 in (null):P-9999 (9) other bump:3.05375 Ang CB(19) at -32.8417 -55.9336 22.6895 in (null):P-9999 (3) and CG(64) at -32.4519 -57.4073 25.3356 in (null):P-9999 (9) other bump:3.11655 Ang C(39) at -29.524 -58.1 24.523 in (null):N-9999 (5) and CG(64) at -32.4519 -57.4073 25.3356 in (null):P-9999 (9) other bump:2.80992 Ang OD1(37) at -27.6821 -55.9993 25.1476 in (null):N-9999 (5) and CA(49) at -28.161 -55.597 27.887 in (null):V-9999 (7) Number of specific fragments= 1 total=990 # 1php.57.58 read from T0136.t2k.frag # found chain 1php in training set T0136 57 :NPNNDVSPN 1php 59 :HLGRPKGKV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.89705 Ang C(9) at 33.521 7.17 20.93 in (null):N-9999 (1) and CD(14) at 32.3353 8.4151 20.1283 in (null):P-9999 (2) self-bump: 1.39924 Ang CA(11) at 32.923 9.103 22.335 in (null):P-9999 (2) and CB(12) at 33.0794 10.1933 21.4721 in (null):P-9999 (2) Number of specific fragments= 1 total=991 # 1nozA.57.57 read from T0136.t2k.frag # found chain 1nozA in template set T0136 57 :NPNNDVSPN 1nozA 58 :QKFPSMKDA Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62157 Ang CB(19) at 37.7678 27.0149 -33.284 in (null):N-9999 (3) and OD1(66) at 39.6951 28.3125 -34.4984 in (null):N-9999 (9) other bump:1.48237 Ang CG(20) at 38.37 28.285 -33.8345 in (null):N-9999 (3) and OD1(66) at 39.6951 28.3125 -34.4984 in (null):N-9999 (9) other bump:0.940276 Ang ND2(21) at 39.6774 28.4534 -33.5689 in (null):N-9999 (3) and OD1(66) at 39.6951 28.3125 -34.4984 in (null):N-9999 (9) other bump:2.13749 Ang OD1(22) at 37.7062 29.0952 -34.4748 in (null):N-9999 (3) and OD1(66) at 39.6951 28.3125 -34.4984 in (null):N-9999 (9) other bump:2.55277 Ang ND2(21) at 39.6774 28.4534 -33.5689 in (null):N-9999 (3) and ND2(65) at 40.3907 26.1974 -34.5272 in (null):N-9999 (9) other bump:2.97794 Ang CB(19) at 37.7678 27.0149 -33.284 in (null):N-9999 (3) and CG(64) at 40.0681 27.3346 -35.1481 in (null):N-9999 (9) other bump:2.34783 Ang CG(20) at 38.37 28.285 -33.8345 in (null):N-9999 (3) and CG(64) at 40.0681 27.3346 -35.1481 in (null):N-9999 (9) other bump:1.97439 Ang ND2(21) at 39.6774 28.4534 -33.5689 in (null):N-9999 (3) and CG(64) at 40.0681 27.3346 -35.1481 in (null):N-9999 (9) other bump:2.45127 Ang CB(35) at 33.8099 23.8155 -36.6959 in (null):D-9999 (5) and CD(58) at 34.767 25.9673 -37.3758 in (null):P-9999 (8) other bump:2.97973 Ang CA(34) at 34.963 23.616 -35.556 in (null):D-9999 (5) and CD(58) at 34.767 25.9673 -37.3758 in (null):P-9999 (8) other bump:2.51073 Ang C(40) at 36.167 24.148 -36.359 in (null):D-9999 (5) and CD(58) at 34.767 25.9673 -37.3758 in (null):P-9999 (8) other bump:2.0383 Ang O(39) at 36.463 25.365 -36.419 in (null):D-9999 (5) and CD(58) at 34.767 25.9673 -37.3758 in (null):P-9999 (8) neighbor-bump: 2.5503 Ang OD1(30) at 32.651 25.3249 -34.7631 in (null):N-9999 (4) and CG(36) at 32.4684 23.2712 -36.2641 in (null):D-9999 (5) neighbor-bump: 2.71236 Ang OD1(30) at 32.651 25.3249 -34.7631 in (null):N-9999 (4) and CB(35) at 33.8099 23.8155 -36.6959 in (null):D-9999 (5) neighbor-bump: 2.07364 Ang OD1(30) at 32.651 25.3249 -34.7631 in (null):N-9999 (4) and N(33) at 34.533 24.493 -34.506 in (null):D-9999 (5) self-bump: 1.37273 Ang CA(26) at 33.784 25.067 -32.331 in (null):N-9999 (4) and CB(27) at 32.4136 25.0296 -32.4021 in (null):N-9999 (4) Number of specific fragments= 1 total=992 # 1k6dA.57.58 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 57 :NPNNDVSPN 1k6dA 59 :TGIGPLIVN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.60783 Ang O(31) at 23.302 15.747 -26.247 in (null):N-9999 (4) and CD(58) at 24.0796 16.5956 -27.3696 in (null):P-9999 (8) other bump:2.82736 Ang C(32) at 22.586 15.096 -25.495 in (null):N-9999 (4) and CD(58) at 24.0796 16.5956 -27.3696 in (null):P-9999 (8) other bump:2.21257 Ang O(31) at 23.302 15.747 -26.247 in (null):N-9999 (4) and CG(57) at 24.2487 15.3404 -28.205 in (null):P-9999 (8) other bump:3.18881 Ang C(32) at 22.586 15.096 -25.495 in (null):N-9999 (4) and CG(57) at 24.2487 15.3404 -28.205 in (null):P-9999 (8) neighbor-bump: 2.82589 Ang CB(4) at 21.1365 9.06103 -22.166 in (null):N-9999 (1) and CD(14) at 21.2629 10.6199 -19.8124 in (null):P-9999 (2) self-bump: 2.15817 Ang CA(11) at 20.336 12.685 -20.066 in (null):P-9999 (2) and CG(13) at 21.1602 11.4177 -18.5258 in (null):P-9999 (2) self-bump: 1.24158 Ang CA(11) at 20.336 12.685 -20.066 in (null):P-9999 (2) and CB(12) at 20.9295 12.8244 -18.9844 in (null):P-9999 (2) Number of specific fragments= 1 total=993 # 1eguA.57.60 read from T0136.t2k.frag # found chain 1eguA in training set T0136 57 :NPNNDVSPN 1eguA 228 :KFSNYKTSA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66187 Ang CB(50) at 15.4988 2.1241 30.924 in (null):S-9999 (7) and OD1(66) at 13.3502 0.563208 31.1038 in (null):N-9999 (9) self-bump: 1.37954 Ang N(54) at 16.191 -0.791 28.861 in (null):P-9999 (8) and CD(58) at 17.2218 -1.32494 29.6063 in (null):P-9999 (8) neighbor-bump: 2.16139 Ang O(8) at 9.478 7.28 30.37 in (null):N-9999 (1) and CD(14) at 8.20604 7.36786 28.6247 in (null):P-9999 (2) neighbor-bump: 1.32948 Ang C(9) at 9.12 7.946 29.398 in (null):N-9999 (1) and CD(14) at 8.20604 7.36786 28.6247 in (null):P-9999 (2) neighbor-bump: 2.01732 Ang CA(3) at 8.201 9.15 29.57 in (null):N-9999 (1) and CD(14) at 8.20604 7.36786 28.6247 in (null):P-9999 (2) neighbor-bump: 2.19288 Ang CB(4) at 6.79559 8.74269 29.5887 in (null):N-9999 (1) and CD(14) at 8.20604 7.36786 28.6247 in (null):P-9999 (2) neighbor-bump: 2.52023 Ang C(9) at 9.12 7.946 29.398 in (null):N-9999 (1) and CG(13) at 8.14641 5.88023 28.332 in (null):P-9999 (2) Number of specific fragments= 1 total=994 # 1gakA.57.58 read from T0136.t2k.frag # adding 1gakA to template set 1gakA:# found chain 1gakA in template set T0136 57 :NPNNDVSPN 1gakA 59 :YCMDYARYS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81653 Ang CB(50) at -1.86804 49.2541 17.1095 in (null):S-9999 (7) and CD(58) at -2.65967 51.3801 15.4403 in (null):P-9999 (8) other bump:1.64111 Ang O(31) at -1.721 51.814 14.166 in (null):N-9999 (4) and CD(58) at -2.65967 51.3801 15.4403 in (null):P-9999 (8) self-bump: 1.39198 Ang N(54) at -3.937 50.847 15.588 in (null):P-9999 (8) and CD(58) at -2.65967 51.3801 15.4403 in (null):P-9999 (8) other bump:2.73851 Ang C(32) at -0.56 51.867 13.751 in (null):N-9999 (4) and CD(58) at -2.65967 51.3801 15.4403 in (null):P-9999 (8) other bump:2.1745 Ang O(31) at -1.721 51.814 14.166 in (null):N-9999 (4) and CG(57) at -2.92171 52.8603 15.6465 in (null):P-9999 (8) other bump:3.18706 Ang C(32) at -0.56 51.867 13.751 in (null):N-9999 (4) and CG(57) at -2.92171 52.8603 15.6465 in (null):P-9999 (8) Number of specific fragments= 1 total=995 # 1ddbA.57.57 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 57 :NPNNDVSPN 1ddbA 58 :TDGSQASRS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37806 Ang CA(34) at -38.094 17.318 26.805 in (null):D-9999 (5) and CB(35) at -37.7169 18.5855 27.1926 in (null):D-9999 (5) neighbor-bump: 2.15807 Ang O(23) at -35.308 14.132 23.349 in (null):N-9999 (3) and CG(28) at -37.2211 13.4165 24.0456 in (null):N-9999 (4) neighbor-bump: 3.20706 Ang CB(19) at -35.6166 16.3542 20.8227 in (null):N-9999 (3) and CA(26) at -37.497 15.844 23.37 in (null):N-9999 (4) neighbor-bump: 1.88182 Ang CB(19) at -35.6166 16.3542 20.8227 in (null):N-9999 (3) and N(25) at -36.322 15.977 22.526 in (null):N-9999 (4) self-bump: 2.18808 Ang CB(19) at -35.6166 16.3542 20.8227 in (null):N-9999 (3) and C(24) at -35.33 15.102 22.594 in (null):N-9999 (3) neighbor-bump: 1.89428 Ang C(9) at -32.164 12.367 16.874 in (null):N-9999 (1) and CD(14) at -32.0526 11.1453 18.3174 in (null):P-9999 (2) neighbor-bump: 2.85638 Ang OD1(7) at -29.6416 12.5072 19.0181 in (null):N-9999 (1) and CD(14) at -32.0526 11.1453 18.3174 in (null):P-9999 (2) Number of specific fragments= 1 total=996 # 1nozA.58.58 read from T0136.t2k.frag # found chain 1nozA in template set T0136 58 :PNNDVSPNT 1nozA 59 :KFPSMKDAR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99714 Ang O(38) at 38.376 24.554 -39.883 in (null):V-9999 (5) and OG1(65) at 39.4703 25.6696 -41.1266 in (null):T-9999 (9) other bump:2.62156 Ang CB(11) at 37.7678 27.0149 -33.284 in (null):N-9999 (2) and OD1(58) at 39.6951 28.3125 -34.4984 in (null):N-9999 (8) other bump:1.48237 Ang CG(12) at 38.37 28.285 -33.8345 in (null):N-9999 (2) and OD1(58) at 39.6951 28.3125 -34.4984 in (null):N-9999 (8) other bump:0.940276 Ang ND2(13) at 39.6774 28.4534 -33.5689 in (null):N-9999 (2) and OD1(58) at 39.6951 28.3125 -34.4984 in (null):N-9999 (8) other bump:2.13748 Ang OD1(14) at 37.7062 29.0952 -34.4748 in (null):N-9999 (2) and OD1(58) at 39.6951 28.3125 -34.4984 in (null):N-9999 (8) other bump:2.55278 Ang ND2(13) at 39.6774 28.4534 -33.5689 in (null):N-9999 (2) and ND2(57) at 40.3907 26.1974 -34.5272 in (null):N-9999 (8) other bump:2.97794 Ang CB(11) at 37.7678 27.0149 -33.284 in (null):N-9999 (2) and CG(56) at 40.0681 27.3346 -35.1481 in (null):N-9999 (8) other bump:2.34783 Ang CG(12) at 38.37 28.285 -33.8345 in (null):N-9999 (2) and CG(56) at 40.0681 27.3346 -35.1481 in (null):N-9999 (8) other bump:1.97439 Ang ND2(13) at 39.6774 28.4534 -33.5689 in (null):N-9999 (2) and CG(56) at 40.0681 27.3346 -35.1481 in (null):N-9999 (8) other bump:2.45127 Ang CB(27) at 33.8099 23.8155 -36.6959 in (null):D-9999 (4) and CD(50) at 34.767 25.9673 -37.3758 in (null):P-9999 (7) other bump:2.97973 Ang CA(26) at 34.963 23.616 -35.556 in (null):D-9999 (4) and CD(50) at 34.767 25.9673 -37.3758 in (null):P-9999 (7) other bump:2.51073 Ang C(32) at 36.167 24.148 -36.359 in (null):D-9999 (4) and CD(50) at 34.767 25.9673 -37.3758 in (null):P-9999 (7) other bump:2.0383 Ang O(31) at 36.463 25.365 -36.419 in (null):D-9999 (4) and CD(50) at 34.767 25.9673 -37.3758 in (null):P-9999 (7) neighbor-bump: 2.5503 Ang OD1(22) at 32.651 25.3249 -34.7631 in (null):N-9999 (3) and CG(28) at 32.4684 23.2712 -36.2641 in (null):D-9999 (4) neighbor-bump: 2.71236 Ang OD1(22) at 32.651 25.3249 -34.7631 in (null):N-9999 (3) and CB(27) at 33.8099 23.8155 -36.6959 in (null):D-9999 (4) neighbor-bump: 2.07364 Ang OD1(22) at 32.651 25.3249 -34.7631 in (null):N-9999 (3) and N(25) at 34.533 24.493 -34.506 in (null):D-9999 (4) self-bump: 1.37273 Ang CA(18) at 33.784 25.067 -32.331 in (null):N-9999 (3) and CB(19) at 32.4136 25.0296 -32.4021 in (null):N-9999 (3) Number of specific fragments= 1 total=997 # 1php.58.59 read from T0136.t2k.frag # found chain 1php in training set T0136 58 :PNNDVSPNT 1php 60 :LGRPKGKVV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25663 Ang CG(28) at 26.0339 9.28251 22.6073 in (null):D-9999 (4) and OG1(65) at 25.0543 11.3059 22.8038 in (null):T-9999 (9) other bump:1.45462 Ang OD1(29) at 25.8979 10.2607 23.3622 in (null):D-9999 (4) and OG1(65) at 25.0543 11.3059 22.8038 in (null):T-9999 (9) other bump:2.71904 Ang OD1(29) at 25.8979 10.2607 23.3622 in (null):D-9999 (4) and CB(63) at 23.8557 12.0353 23.0916 in (null):T-9999 (9) neighbor-bump: 2.44613 Ang O(0) at 34.714 7.536 20.916 in (null):G-9999 (0) and CD(6) at 32.5435 8.3095 20.095 in (null):P-9999 (1) neighbor-bump: 1.71791 Ang C(1) at 33.521 7.17 20.93 in (null):G-9999 (0) and CD(6) at 32.5435 8.3095 20.095 in (null):P-9999 (1) neighbor-bump: 2.59834 Ang C(1) at 33.521 7.17 20.93 in (null):G-9999 (0) and CG(5) at 33.2673 9.62622 20.1213 in (null):P-9999 (1) Number of specific fragments= 1 total=998 # 1k6dA.58.59 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 58 :PNNDVSPNT 1k6dA 60 :GIGPLIVNG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.60783 Ang O(23) at 23.302 15.747 -26.247 in (null):N-9999 (3) and CD(50) at 24.0796 16.5956 -27.3696 in (null):P-9999 (7) other bump:2.82736 Ang C(24) at 22.586 15.096 -25.495 in (null):N-9999 (3) and CD(50) at 24.0796 16.5956 -27.3696 in (null):P-9999 (7) other bump:2.21257 Ang O(23) at 23.302 15.747 -26.247 in (null):N-9999 (3) and CG(49) at 24.2487 15.3404 -28.205 in (null):P-9999 (7) other bump:3.18881 Ang C(24) at 22.586 15.096 -25.495 in (null):N-9999 (3) and CG(49) at 24.2487 15.3404 -28.205 in (null):P-9999 (7) self-bump: 2.15816 Ang CA(3) at 20.336 12.685 -20.066 in (null):P-9999 (1) and CG(5) at 21.1602 11.4177 -18.5258 in (null):P-9999 (1) self-bump: 1.24158 Ang CA(3) at 20.336 12.685 -20.066 in (null):P-9999 (1) and CB(4) at 20.9295 12.8244 -18.9844 in (null):P-9999 (1) Number of specific fragments= 1 total=999 # 1gakA.58.59 read from T0136.t2k.frag # found chain 1gakA in template set T0136 58 :PNNDVSPNT 1gakA 60 :CMDYARYSK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39198 Ang N(46) at -3.937 50.847 15.588 in (null):P-9999 (7) and CD(50) at -2.65966 51.3801 15.4403 in (null):P-9999 (7) neighbor-bump: 2.81654 Ang CB(42) at -1.86804 49.2541 17.1095 in (null):S-9999 (6) and CD(50) at -2.65966 51.3801 15.4403 in (null):P-9999 (7) other bump:1.64111 Ang O(23) at -1.721 51.814 14.166 in (null):N-9999 (3) and CD(50) at -2.65966 51.3801 15.4403 in (null):P-9999 (7) other bump:2.73851 Ang C(24) at -0.56 51.867 13.751 in (null):N-9999 (3) and CD(50) at -2.65966 51.3801 15.4403 in (null):P-9999 (7) other bump:2.17449 Ang O(23) at -1.721 51.814 14.166 in (null):N-9999 (3) and CG(49) at -2.92171 52.8603 15.6465 in (null):P-9999 (7) other bump:3.18706 Ang C(24) at -0.56 51.867 13.751 in (null):N-9999 (3) and CG(49) at -2.92171 52.8603 15.6465 in (null):P-9999 (7) Number of specific fragments= 1 total=1000 # 1eguA.58.61 read from T0136.t2k.frag # found chain 1eguA in training set T0136 58 :PNNDVSPNT 1eguA 229 :FSNYKTSAN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55435 Ang O(7) at 11.884 6.741 25.947 in (null):P-9999 (1) and CG2(64) at 12.6562 4.42491 26.6981 in (null):T-9999 (9) other bump:2.92121 Ang C(8) at 11.596 7.119 27.087 in (null):P-9999 (1) and CG2(64) at 12.6562 4.42491 26.6981 in (null):T-9999 (9) self-bump: 1.37954 Ang N(46) at 16.191 -0.791 28.861 in (null):P-9999 (7) and CD(50) at 17.2218 -1.32494 29.6063 in (null):P-9999 (7) neighbor-bump: 2.722 Ang C(1) at 9.12 7.946 29.398 in (null):G-9999 (0) and CG(5) at 8.31758 5.71934 28.0536 in (null):P-9999 (1) self-bump: 1.39209 Ang CA(3) at 10.382 6.564 27.819 in (null):P-9999 (1) and CB(4) at 9.73178 5.33492 27.7518 in (null):P-9999 (1) Number of specific fragments= 1 total=1001 # 1ddbA.58.58 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 58 :PNNDVSPNT 1ddbA 59 :DGSQASRSF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.82434 Ang O(59) at -42.849 7.163 34.111 in (null):N-9999 (8) and OG1(65) at -43.7106 6.27209 32.7723 in (null):T-9999 (9) neighbor-bump: 2.56989 Ang C(60) at -41.753 7.605 33.77 in (null):N-9999 (8) and OG1(65) at -43.7106 6.27209 32.7723 in (null):T-9999 (9) self-bump: 1.37806 Ang CA(26) at -38.094 17.318 26.805 in (null):D-9999 (4) and CB(27) at -37.7169 18.5855 27.1926 in (null):D-9999 (4) neighbor-bump: 2.15807 Ang O(15) at -35.308 14.132 23.349 in (null):N-9999 (2) and CG(20) at -37.2211 13.4165 24.0456 in (null):N-9999 (3) neighbor-bump: 3.20706 Ang CB(11) at -35.6166 16.3542 20.8227 in (null):N-9999 (2) and CA(18) at -37.497 15.844 23.37 in (null):N-9999 (3) neighbor-bump: 1.88182 Ang CB(11) at -35.6166 16.3542 20.8227 in (null):N-9999 (2) and N(17) at -36.322 15.977 22.526 in (null):N-9999 (3) self-bump: 2.18807 Ang CB(11) at -35.6166 16.3542 20.8227 in (null):N-9999 (2) and C(16) at -35.33 15.102 22.594 in (null):N-9999 (2) neighbor-bump: 1.89428 Ang C(1) at -32.164 12.367 16.874 in (null):G-9999 (0) and CD(6) at -32.0526 11.1453 18.3174 in (null):P-9999 (1) Number of specific fragments= 1 total=1002 # 1nozA.59.59 read from T0136.t2k.frag # found chain 1nozA in template set T0136 59 :NNDVSPNTE 1nozA 60 :FPSMKDARD Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99714 Ang O(31) at 38.376 24.554 -39.883 in (null):V-9999 (4) and OG1(58) at 39.4703 25.6696 -41.1266 in (null):T-9999 (8) other bump:1.48237 Ang CG(5) at 38.37 28.285 -33.8345 in (null):N-9999 (1) and OD1(51) at 39.6951 28.3125 -34.4984 in (null):N-9999 (7) other bump:2.13748 Ang OD1(7) at 37.7062 29.0952 -34.4748 in (null):N-9999 (1) and OD1(51) at 39.6951 28.3125 -34.4984 in (null):N-9999 (7) other bump:2.62156 Ang CB(4) at 37.7678 27.0149 -33.284 in (null):N-9999 (1) and OD1(51) at 39.6951 28.3125 -34.4984 in (null):N-9999 (7) other bump:0.940269 Ang ND2(6) at 39.6774 28.4534 -33.5689 in (null):N-9999 (1) and OD1(51) at 39.6951 28.3125 -34.4984 in (null):N-9999 (7) other bump:2.55277 Ang ND2(6) at 39.6774 28.4534 -33.5689 in (null):N-9999 (1) and ND2(50) at 40.3907 26.1974 -34.5272 in (null):N-9999 (7) other bump:2.34782 Ang CG(5) at 38.37 28.285 -33.8345 in (null):N-9999 (1) and CG(49) at 40.0681 27.3346 -35.1481 in (null):N-9999 (7) other bump:2.97793 Ang CB(4) at 37.7678 27.0149 -33.284 in (null):N-9999 (1) and CG(49) at 40.0681 27.3346 -35.1481 in (null):N-9999 (7) other bump:1.97438 Ang ND2(6) at 39.6774 28.4534 -33.5689 in (null):N-9999 (1) and CG(49) at 40.0681 27.3346 -35.1481 in (null):N-9999 (7) other bump:2.45128 Ang CB(20) at 33.8099 23.8155 -36.6959 in (null):D-9999 (3) and CD(43) at 34.767 25.9673 -37.3758 in (null):P-9999 (6) other bump:2.97973 Ang CA(19) at 34.963 23.616 -35.556 in (null):D-9999 (3) and CD(43) at 34.767 25.9673 -37.3758 in (null):P-9999 (6) other bump:2.51074 Ang C(25) at 36.167 24.148 -36.359 in (null):D-9999 (3) and CD(43) at 34.767 25.9673 -37.3758 in (null):P-9999 (6) other bump:2.0383 Ang O(24) at 36.463 25.365 -36.419 in (null):D-9999 (3) and CD(43) at 34.767 25.9673 -37.3758 in (null):P-9999 (6) neighbor-bump: 2.55031 Ang OD1(15) at 32.651 25.3249 -34.7632 in (null):N-9999 (2) and CG(21) at 32.4684 23.2711 -36.2641 in (null):D-9999 (3) neighbor-bump: 2.71236 Ang OD1(15) at 32.651 25.3249 -34.7632 in (null):N-9999 (2) and CB(20) at 33.8099 23.8155 -36.6959 in (null):D-9999 (3) neighbor-bump: 2.07364 Ang OD1(15) at 32.651 25.3249 -34.7632 in (null):N-9999 (2) and N(18) at 34.533 24.493 -34.506 in (null):D-9999 (3) self-bump: 1.37273 Ang CA(11) at 33.784 25.067 -32.331 in (null):N-9999 (2) and CB(12) at 32.4136 25.0296 -32.4021 in (null):N-9999 (2) Number of specific fragments= 1 total=1003 # 1php.59.60 read from T0136.t2k.frag # found chain 1php in training set T0136 59 :NNDVSPNTE 1php 61 :GRPKGKVVE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25663 Ang CG(21) at 26.0339 9.28251 22.6073 in (null):D-9999 (3) and OG1(58) at 25.0543 11.3059 22.8038 in (null):T-9999 (8) other bump:1.45462 Ang OD1(22) at 25.8979 10.2607 23.3622 in (null):D-9999 (3) and OG1(58) at 25.0543 11.3059 22.8038 in (null):T-9999 (8) other bump:2.71904 Ang OD1(22) at 25.8979 10.2607 23.3622 in (null):D-9999 (3) and CB(56) at 23.8557 12.0353 23.0916 in (null):T-9999 (8) Number of specific fragments= 1 total=1004 # 1k6dA.59.60 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 59 :NNDVSPNTE 1k6dA 61 :IGPLIVNGR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55215 Ang C(53) at 22.663 21.123 -31.01 in (null):N-9999 (7) and CB(56) at 24.2247 22.8612 -32.0362 in (null):T-9999 (8) other bump:1.60783 Ang O(16) at 23.302 15.747 -26.247 in (null):N-9999 (2) and CD(43) at 24.0796 16.5956 -27.3696 in (null):P-9999 (6) other bump:2.82736 Ang C(17) at 22.586 15.096 -25.495 in (null):N-9999 (2) and CD(43) at 24.0796 16.5956 -27.3696 in (null):P-9999 (6) other bump:2.21257 Ang O(16) at 23.302 15.747 -26.247 in (null):N-9999 (2) and CG(42) at 24.2487 15.3404 -28.205 in (null):P-9999 (6) other bump:3.18881 Ang C(17) at 22.586 15.096 -25.495 in (null):N-9999 (2) and CG(42) at 24.2487 15.3404 -28.205 in (null):P-9999 (6) Number of specific fragments= 1 total=1005 # 1gakA.59.60 read from T0136.t2k.frag # found chain 1gakA in template set T0136 59 :NNDVSPNTE 1gakA 61 :MDYARYSKK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39198 Ang N(39) at -3.937 50.847 15.588 in (null):P-9999 (6) and CD(43) at -2.65966 51.3801 15.4403 in (null):P-9999 (6) neighbor-bump: 2.81653 Ang CB(35) at -1.86804 49.2541 17.1095 in (null):S-9999 (5) and CD(43) at -2.65966 51.3801 15.4403 in (null):P-9999 (6) other bump:1.64111 Ang O(16) at -1.721 51.814 14.166 in (null):N-9999 (2) and CD(43) at -2.65966 51.3801 15.4403 in (null):P-9999 (6) other bump:2.73851 Ang C(17) at -0.56 51.867 13.751 in (null):N-9999 (2) and CD(43) at -2.65966 51.3801 15.4403 in (null):P-9999 (6) other bump:2.17449 Ang O(16) at -1.721 51.814 14.166 in (null):N-9999 (2) and CG(42) at -2.92171 52.8603 15.6465 in (null):P-9999 (6) other bump:3.18705 Ang C(17) at -0.56 51.867 13.751 in (null):N-9999 (2) and CG(42) at -2.92171 52.8603 15.6465 in (null):P-9999 (6) Number of specific fragments= 1 total=1006 # 1ddbA.59.59 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 59 :NNDVSPNTE 1ddbA 60 :GSQASRSFN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.21382 Ang O(59) at -40.385 6.069 29.883 in (null):T-9999 (8) and CG(64) at -38.2987 6.25467 29.1662 in (null):E-9999 (9) self-bump: 1.33366 Ang CA(55) at -41.464 5.955 32.025 in (null):T-9999 (8) and CB(56) at -42.6294 5.31692 32.141 in (null):T-9999 (8) self-bump: 1.37806 Ang CA(19) at -38.094 17.318 26.805 in (null):D-9999 (3) and CB(20) at -37.7169 18.5855 27.1926 in (null):D-9999 (3) neighbor-bump: 2.15807 Ang O(8) at -35.308 14.132 23.349 in (null):N-9999 (1) and CG(13) at -37.2211 13.4165 24.0456 in (null):N-9999 (2) self-bump: 1.3348 Ang CA(3) at -34.162 15.373 21.644 in (null):N-9999 (1) and CB(4) at -33.6174 16.5302 22.0261 in (null):N-9999 (1) Number of specific fragments= 1 total=1007 # 1qe3A.59.61 read from T0136.t2k.frag # adding 1qe3A to template set 1qe3A:# found chain 1qe3A in template set T0136 59 :NND 1qe3A 62 :PQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 1 total=1008 # 1nozA.60.60 read from T0136.t2k.frag # found chain 1nozA in template set T0136 60 :NDVSPNTEL 1nozA 61 :PSMKDARDW Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99714 Ang O(23) at 38.376 24.554 -39.883 in (null):V-9999 (3) and OG1(50) at 39.4703 25.6696 -41.1266 in (null):T-9999 (7) other bump:2.45094 Ang CG(13) at 33.1263 24.1614 -37.1438 in (null):D-9999 (2) and CD(35) at 34.767 25.9673 -37.3758 in (null):P-9999 (5) other bump:1.2757 Ang OD1(14) at 33.7179 25.2427 -37.3328 in (null):D-9999 (2) and CD(35) at 34.767 25.9673 -37.3758 in (null):P-9999 (5) other bump:2.97973 Ang CA(11) at 34.963 23.616 -35.556 in (null):D-9999 (2) and CD(35) at 34.767 25.9673 -37.3758 in (null):P-9999 (5) other bump:2.0383 Ang O(16) at 36.463 25.365 -36.419 in (null):D-9999 (2) and CD(35) at 34.767 25.9673 -37.3758 in (null):P-9999 (5) other bump:2.51073 Ang C(17) at 36.167 24.148 -36.359 in (null):D-9999 (2) and CD(35) at 34.767 25.9673 -37.3758 in (null):P-9999 (5) other bump:3.05895 Ang CG(13) at 33.1263 24.1614 -37.1438 in (null):D-9999 (2) and CG(34) at 34.0806 26.9943 -36.4947 in (null):P-9999 (5) other bump:1.97532 Ang OD1(14) at 33.7179 25.2427 -37.3328 in (null):D-9999 (2) and CG(34) at 34.0806 26.9943 -36.4947 in (null):P-9999 (5) self-bump: 1.38612 Ang CA(3) at 33.784 25.067 -32.331 in (null):N-9999 (1) and CB(4) at 32.4019 25.1622 -32.3778 in (null):N-9999 (1) Number of specific fragments= 1 total=1009 # 1php.60.61 read from T0136.t2k.frag # found chain 1php in training set T0136 60 :NDVSPNTEL 1php 62 :RPKGKVVEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25663 Ang CG(13) at 26.0339 9.28251 22.6073 in (null):D-9999 (2) and OG1(50) at 25.0543 11.3059 22.8038 in (null):T-9999 (7) other bump:1.45462 Ang OD1(14) at 25.8979 10.2607 23.3622 in (null):D-9999 (2) and OG1(50) at 25.0543 11.3059 22.8038 in (null):T-9999 (7) other bump:2.71904 Ang OD1(14) at 25.8979 10.2607 23.3622 in (null):D-9999 (2) and CB(48) at 23.8557 12.0353 23.0916 in (null):T-9999 (7) Number of specific fragments= 1 total=1010 # 1gakA.60.61 read from T0136.t2k.frag # found chain 1gakA in template set T0136 60 :NDVSPNTEL 1gakA 62 :DYARYSKKI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39198 Ang N(31) at -3.937 50.847 15.588 in (null):P-9999 (5) and CD(35) at -2.65967 51.3801 15.4403 in (null):P-9999 (5) neighbor-bump: 2.81654 Ang CB(27) at -1.86804 49.2541 17.1095 in (null):S-9999 (4) and CD(35) at -2.65967 51.3801 15.4403 in (null):P-9999 (5) other bump:1.64111 Ang O(8) at -1.721 51.814 14.166 in (null):N-9999 (1) and CD(35) at -2.65967 51.3801 15.4403 in (null):P-9999 (5) other bump:2.73851 Ang C(9) at -0.56 51.867 13.751 in (null):N-9999 (1) and CD(35) at -2.65967 51.3801 15.4403 in (null):P-9999 (5) other bump:2.17449 Ang O(8) at -1.721 51.814 14.166 in (null):N-9999 (1) and CG(34) at -2.92171 52.8603 15.6465 in (null):P-9999 (5) other bump:3.18706 Ang C(9) at -0.56 51.867 13.751 in (null):N-9999 (1) and CG(34) at -2.92171 52.8603 15.6465 in (null):P-9999 (5) Number of specific fragments= 1 total=1011 # 1k6dA.60.61 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 60 :NDVSPNTEL 1k6dA 62 :GPLIVNGRV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56651 Ang CG1(21) at 21.0093 21.3174 -24.5774 in (null):V-9999 (3) and CD1(66) at 22.2375 23.3164 -23.5367 in (null):L-9999 (9) neighbor-bump: 2.55215 Ang C(45) at 22.663 21.123 -31.01 in (null):N-9999 (6) and CB(48) at 24.2247 22.8612 -32.0362 in (null):T-9999 (7) other bump:1.60783 Ang O(8) at 23.302 15.747 -26.247 in (null):N-9999 (1) and CD(35) at 24.0796 16.5956 -27.3696 in (null):P-9999 (5) other bump:2.82736 Ang C(9) at 22.586 15.096 -25.495 in (null):N-9999 (1) and CD(35) at 24.0796 16.5956 -27.3696 in (null):P-9999 (5) other bump:2.21257 Ang O(8) at 23.302 15.747 -26.247 in (null):N-9999 (1) and CG(34) at 24.2487 15.3404 -28.205 in (null):P-9999 (5) other bump:3.18881 Ang C(9) at 22.586 15.096 -25.495 in (null):N-9999 (1) and CG(34) at 24.2487 15.3404 -28.205 in (null):P-9999 (5) Number of specific fragments= 1 total=1012 # 1qe3A.60.62 read from T0136.t2k.frag # found chain 1qe3A in template set T0136 60 :ND 1qe3A 63 :QP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 1 total=1013 # 1ddbA.60.60 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 60 :NDVSPNTEL 1ddbA 61 :SQASRSFNQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.3224 Ang O(60) at -37.62 3.109 32.507 in (null):E-9999 (8) and CG(65) at -37.675 0.886723 33.1793 in (null):L-9999 (9) self-bump: 1.33366 Ang CA(47) at -41.464 5.955 32.025 in (null):T-9999 (7) and CB(48) at -42.6294 5.31692 32.141 in (null):T-9999 (7) self-bump: 1.37806 Ang CA(11) at -38.094 17.318 26.805 in (null):D-9999 (2) and CB(12) at -37.7169 18.5855 27.1926 in (null):D-9999 (2) neighbor-bump: 2.15807 Ang O(0) at -35.308 14.132 23.349 in (null):G-9999 (0) and CG(5) at -37.2211 13.4165 24.0456 in (null):N-9999 (1) Number of specific fragments= 1 total=1014 # 1nozA.61.61 read from T0136.t2k.frag # found chain 1nozA in template set T0136 61 :DVSPNTELR 1nozA 62 :SMKDARDWM Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99714 Ang O(15) at 38.376 24.554 -39.883 in (null):V-9999 (2) and OG1(42) at 39.4703 25.6696 -41.1266 in (null):T-9999 (6) other bump:2.59435 Ang CG(5) at 32.9598 24.1579 -36.9392 in (null):D-9999 (1) and CD(27) at 34.767 25.9673 -37.3758 in (null):P-9999 (4) other bump:1.53383 Ang OD1(6) at 33.4157 25.3271 -37.0342 in (null):D-9999 (1) and CD(27) at 34.767 25.9673 -37.3758 in (null):P-9999 (4) other bump:2.97973 Ang CA(3) at 34.963 23.616 -35.556 in (null):D-9999 (1) and CD(27) at 34.767 25.9673 -37.3758 in (null):P-9999 (4) other bump:2.0383 Ang O(8) at 36.463 25.365 -36.419 in (null):D-9999 (1) and CD(27) at 34.767 25.9673 -37.3758 in (null):P-9999 (4) other bump:2.51073 Ang C(9) at 36.167 24.148 -36.359 in (null):D-9999 (1) and CD(27) at 34.767 25.9673 -37.3758 in (null):P-9999 (4) other bump:3.082 Ang CG(5) at 32.9598 24.1579 -36.9392 in (null):D-9999 (1) and CG(26) at 34.0806 26.9943 -36.4947 in (null):P-9999 (4) other bump:1.87419 Ang OD1(6) at 33.4157 25.3271 -37.0342 in (null):D-9999 (1) and CG(26) at 34.0806 26.9943 -36.4947 in (null):P-9999 (4) Number of specific fragments= 1 total=1015 # 1php.61.62 read from T0136.t2k.frag # found chain 1php in training set T0136 61 :DVSPNTELR 1php 63 :PKGKVVEEL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42871 Ang C(1) at 26.984 7.358 26.325 in (null):G-9999 (0) and NH2(70) at 28.4004 9.08944 27.2708 in (null):R-9999 (9) other bump:2.72305 Ang C(1) at 26.984 7.358 26.325 in (null):G-9999 (0) and CZ(68) at 27.656 9.97944 26.6274 in (null):R-9999 (9) other bump:2.86272 Ang OG1(42) at 25.0543 11.3059 22.8038 in (null):T-9999 (6) and CD(66) at 27.2485 11.3749 24.6412 in (null):R-9999 (9) Number of specific fragments= 1 total=1016 # 1gakA.61.62 read from T0136.t2k.frag # found chain 1gakA in template set T0136 61 :DVSPNTELR 1gakA 63 :YARYSKKIL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39198 Ang N(23) at -3.937 50.847 15.588 in (null):P-9999 (4) and CD(27) at -2.65966 51.3801 15.4403 in (null):P-9999 (4) neighbor-bump: 2.81653 Ang CB(19) at -1.86804 49.2541 17.1095 in (null):S-9999 (3) and CD(27) at -2.65966 51.3801 15.4403 in (null):P-9999 (4) other bump:1.64111 Ang O(0) at -1.721 51.814 14.166 in (null):G-9999 (0) and CD(27) at -2.65966 51.3801 15.4403 in (null):P-9999 (4) other bump:2.73851 Ang C(1) at -0.56 51.867 13.751 in (null):G-9999 (0) and CD(27) at -2.65966 51.3801 15.4403 in (null):P-9999 (4) other bump:2.17449 Ang O(0) at -1.721 51.814 14.166 in (null):G-9999 (0) and CG(26) at -2.92171 52.8603 15.6465 in (null):P-9999 (4) other bump:3.18706 Ang C(1) at -0.56 51.867 13.751 in (null):G-9999 (0) and CG(26) at -2.92171 52.8603 15.6465 in (null):P-9999 (4) Number of specific fragments= 1 total=1017 # 1ycqA.61.61 read from T0136.t2k.frag # adding 1ycqA to template set 1ycqA:# found chain 1ycqA in template set T0136 61 :DVSPNTELR 1ycqA 74 :SNDPLGELF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.84373 Ang CD2(59) at 51.054 21.772 34.236 in (null):L-9999 (8) and NH1(69) at 52.2449 19.521 35.5016 in (null):R-9999 (9) other bump:1.02695 Ang O(0) at 53.538 29.221 40.398 in (null):G-9999 (0) and OG1(42) at 53.3988 28.2119 40.5286 in (null):T-9999 (6) other bump:1.67998 Ang C(1) at 54.573 29.29 41.059 in (null):G-9999 (0) and OG1(42) at 53.3988 28.2119 40.5286 in (null):T-9999 (6) other bump:1.95517 Ang O(0) at 53.538 29.221 40.398 in (null):G-9999 (0) and CB(40) at 51.9513 28.0813 40.4777 in (null):T-9999 (6) other bump:2.94482 Ang C(1) at 54.573 29.29 41.059 in (null):G-9999 (0) and CB(40) at 51.9513 28.0813 40.4777 in (null):T-9999 (6) Number of specific fragments= 1 total=1018 # 1ddbA.61.61 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 61 :DVSPNTELR 1ddbA 62 :QASRSFNQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.49247 Ang O(52) at -37.62 3.109 32.507 in (null):E-9999 (7) and CD1(58) at -38.2016 2.05242 33.3861 in (null):L-9999 (8) neighbor-bump: 2.40773 Ang C(53) at -37.67 3.087 31.278 in (null):E-9999 (7) and CD1(58) at -38.2016 2.05242 33.3861 in (null):L-9999 (8) neighbor-bump: 2.33292 Ang O(52) at -37.62 3.109 32.507 in (null):E-9999 (7) and CG(57) at -37.0061 1.11834 33.5572 in (null):L-9999 (8) self-bump: 1.33366 Ang CA(39) at -41.464 5.955 32.025 in (null):T-9999 (6) and CB(40) at -42.6294 5.31692 32.141 in (null):T-9999 (6) Number of specific fragments= 1 total=1019 # 1qe3A.61.63 read from T0136.t2k.frag # found chain 1qe3A in template set T0136 61 :D 1qe3A 64 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 1 total=1020 # 1nozA.62.62 read from T0136.t2k.frag # found chain 1nozA in template set T0136 62 :VSPNTELRD 1nozA 63 :MKDARDWMK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99715 Ang O(7) at 38.376 24.554 -39.883 in (null):V-9999 (1) and OG1(34) at 39.4703 25.6696 -41.1266 in (null):T-9999 (5) other bump:2.51074 Ang C(1) at 36.167 24.148 -36.359 in (null):G-9999 (0) and CD(19) at 34.767 25.9673 -37.3758 in (null):P-9999 (3) other bump:2.03831 Ang O(0) at 36.463 25.365 -36.419 in (null):G-9999 (0) and CD(19) at 34.767 25.9673 -37.3758 in (null):P-9999 (3) Number of specific fragments= 1 total=1021 # 1php.62.63 read from T0136.t2k.frag # found chain 1php in training set T0136 62 :VSPNTELRD 1php 64 :KGKVVEELR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1022 # 1aihA.62.69 read from T0136.t2k.frag # adding 1aihA to template set 1aihA:# found chain 1aihA in template set T0136 62 :VSPNTELRD 1aihA 237 :VPISDELFD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75243 Ang OD1(27) at -16.5189 98.0786 54.3427 in (null):N-9999 (4) and CB(48) at -17.832 98.267 51.931 in (null):L-9999 (7) Number of specific fragments= 1 total=1023 # 1ycqA.62.62 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 62 :VSPNTELRD 1ycqA 75 :NDPLGELFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1024 # 1bt3A.62.62 read from T0136.t2k.frag # adding 1bt3A to template set 1bt3A:# found chain 1bt3A in template set T0136 62 :VSPNTELRD 1bt3A 63 :FAKAVELMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1025 # 1gakA.62.63 read from T0136.t2k.frag # found chain 1gakA in template set T0136 62 :VSPNTELRD 1gakA 64 :ARYSKKILQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81653 Ang CB(11) at -1.86804 49.2541 17.1095 in (null):S-9999 (2) and CD(19) at -2.65966 51.3801 15.4403 in (null):P-9999 (3) self-bump: 1.39198 Ang N(15) at -3.937 50.847 15.588 in (null):P-9999 (3) and CD(19) at -2.65966 51.3801 15.4403 in (null):P-9999 (3) Number of specific fragments= 1 total=1026 # 1nozA.63.63 read from T0136.t2k.frag # found chain 1nozA in template set T0136 63 :SPNTELRD 1nozA 64 :KDARDWMK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.99714 Ang O(0) at 38.376 24.554 -39.883 in (null):G-9999 (0) and OG1(27) at 39.4703 25.6696 -41.1266 in (null):T-9999 (4) Number of specific fragments= 1 total=1027 # 1aihA.63.70 read from T0136.t2k.frag # found chain 1aihA in template set T0136 63 :SPNTELRDI 1aihA 238 :PISDELFDM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69127 Ang CD2(44) at -18.179 99.4 49.657 in (null):L-9999 (6) and CD1(71) at -19.0715 101.919 49.3364 in (null):I-9999 (9) other bump:2.75243 Ang OD1(20) at -16.5189 98.0786 54.3427 in (null):N-9999 (3) and CB(41) at -17.832 98.267 51.931 in (null):L-9999 (6) Number of specific fragments= 1 total=1028 # 1bt3A.63.63 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 63 :SPNTELRDI 1bt3A 64 :AKAVELMKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39582 Ang O(37) at 10.286 41.216 21.821 in (null):E-9999 (5) and CD1(71) at 11.0024 43.4104 22.4624 in (null):I-9999 (9) Number of specific fragments= 1 total=1029 # 1ycqA.63.63 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 63 :SPNTELRDI 1ycqA 76 :DPLGELFGV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5595 Ang CG2(26) at 51.4047 28.1234 41.8914 in (null):T-9999 (4) and O(72) at 52.297 26.206 43.333 in (null):I-9999 (9) Number of specific fragments= 1 total=1030 # 1gakA.63.64 read from T0136.t2k.frag # found chain 1gakA in template set T0136 63 :SPNTELRDI 1gakA 65 :RYSKKILQL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13061 Ang CD(34) at -8.72581 52.6899 19.433 in (null):E-9999 (5) and CG1(69) at -11.7668 52.3008 20.0669 in (null):I-9999 (9) other bump:2.77693 Ang OE2(36) at -9.16136 53.1551 20.5066 in (null):E-9999 (5) and CG1(69) at -11.7668 52.3008 20.0669 in (null):I-9999 (9) neighbor-bump: 2.81654 Ang CB(4) at -1.86804 49.2541 17.1095 in (null):S-9999 (1) and CD(12) at -2.65967 51.3801 15.4403 in (null):P-9999 (2) self-bump: 1.39198 Ang N(8) at -3.937 50.847 15.588 in (null):P-9999 (2) and CD(12) at -2.65967 51.3801 15.4403 in (null):P-9999 (2) Number of specific fragments= 1 total=1031 # 1php.63.64 read from T0136.t2k.frag # found chain 1php in training set T0136 63 :SPNTELRDI 1php 65 :GKVVEELRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1032 # 1aihA.64.71 read from T0136.t2k.frag # found chain 1aihA in template set T0136 64 :PNTELRDIV 1aihA 239 :ISDELFDML Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75243 Ang OD1(14) at -16.5189 98.0786 54.3427 in (null):N-9999 (2) and CB(35) at -17.832 98.267 51.931 in (null):L-9999 (5) Number of specific fragments= 1 total=1033 # 1nozA.64.64 read from T0136.t2k.frag # found chain 1nozA in template set T0136 64 :PNTELRD 1nozA 65 :DARDWMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=1034 # 1bt3A.64.64 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 64 :PNTELRDIV 1bt3A 65 :KAVELMKAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39582 Ang O(31) at 10.286 41.216 21.821 in (null):E-9999 (4) and CD1(65) at 11.0024 43.4104 22.4624 in (null):I-9999 (8) Number of specific fragments= 1 total=1035 # 1ycqA.64.64 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 64 :PNTELRDIV 1ycqA 77 :PLGELFGVQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5595 Ang CG2(20) at 51.4047 28.1234 41.8914 in (null):T-9999 (3) and O(66) at 52.297 26.206 43.333 in (null):I-9999 (8) Number of specific fragments= 1 total=1036 # 1ddbA.64.64 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 64 :PNTELRDIV 1ddbA 65 :RSFNQGRIE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.49247 Ang O(31) at -37.62 3.109 32.507 in (null):E-9999 (4) and CD1(37) at -38.2016 2.05242 33.3861 in (null):L-9999 (5) neighbor-bump: 2.40773 Ang C(32) at -37.67 3.087 31.278 in (null):E-9999 (4) and CD1(37) at -38.2016 2.05242 33.3861 in (null):L-9999 (5) neighbor-bump: 2.33292 Ang O(31) at -37.62 3.109 32.507 in (null):E-9999 (4) and CG(36) at -37.0061 1.11834 33.5572 in (null):L-9999 (5) self-bump: 1.33366 Ang CA(18) at -41.464 5.955 32.025 in (null):T-9999 (3) and CB(19) at -42.6294 5.31692 32.141 in (null):T-9999 (3) Number of specific fragments= 1 total=1037 # 1gakA.64.65 read from T0136.t2k.frag # found chain 1gakA in template set T0136 64 :PNTELRDIV 1gakA 66 :YSKKILQLK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10222 Ang CD(28) at -8.72581 52.6899 19.433 in (null):E-9999 (4) and CD1(65) at -10.7197 53.3007 19.6986 in (null):I-9999 (8) other bump:2.283 Ang OE1(29) at -8.91527 53.2052 18.3033 in (null):E-9999 (4) and CD1(65) at -10.7197 53.3007 19.6986 in (null):I-9999 (8) other bump:1.7614 Ang OE2(30) at -9.16136 53.1551 20.5066 in (null):E-9999 (4) and CD1(65) at -10.7197 53.3007 19.6986 in (null):I-9999 (8) other bump:3.15867 Ang CD(28) at -8.72581 52.6899 19.433 in (null):E-9999 (4) and CG1(63) at -11.7788 52.2994 20.143 in (null):I-9999 (8) other bump:2.77761 Ang OE2(30) at -9.16136 53.1551 20.5066 in (null):E-9999 (4) and CG1(63) at -11.7788 52.2994 20.143 in (null):I-9999 (8) self-bump: 1.39198 Ang N(2) at -3.937 50.847 15.588 in (null):P-9999 (1) and CD(6) at -2.65966 51.3801 15.4403 in (null):P-9999 (1) Number of specific fragments= 1 total=1038 # 1aihA.65.72 read from T0136.t2k.frag # found chain 1aihA in template set T0136 65 :NTELRDIVP 1aihA 240 :SDELFDMLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1039 # 1bt3A.65.65 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 65 :NTELRDIVP 1bt3A 66 :AVELMKALP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39582 Ang O(24) at 10.286 41.216 21.821 in (null):E-9999 (3) and CD1(58) at 11.0024 43.4104 22.4624 in (null):I-9999 (7) Number of specific fragments= 1 total=1040 # 1nozA.65.65 read from T0136.t2k.frag # found chain 1nozA in template set T0136 65 :NTELRD 1nozA 66 :ARDWMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 1 total=1041 # 1ddbA.65.65 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 65 :NTELRDIVP 1ddbA 66 :SFNQGRIEP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85885 Ang CG1(64) at -25.3984 0.536949 19.7335 in (null):V-9999 (8) and CD(72) at -27.932 0.89 18.457 in (null):P-9999 (9) neighbor-bump: 1.49248 Ang O(24) at -37.62 3.109 32.507 in (null):E-9999 (3) and CD1(30) at -38.2016 2.05241 33.3862 in (null):L-9999 (4) neighbor-bump: 2.40775 Ang C(25) at -37.67 3.087 31.278 in (null):E-9999 (3) and CD1(30) at -38.2016 2.05241 33.3862 in (null):L-9999 (4) neighbor-bump: 2.33293 Ang O(24) at -37.62 3.109 32.507 in (null):E-9999 (3) and CG(29) at -37.0061 1.11833 33.5572 in (null):L-9999 (4) self-bump: 1.33367 Ang CA(11) at -41.464 5.955 32.025 in (null):T-9999 (2) and CB(12) at -42.6294 5.31693 32.141 in (null):T-9999 (2) Number of specific fragments= 1 total=1042 # 1ycqA.65.65 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 65 :NTELRDIVP 1ycqA 78 :LGELFGVQE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0262 Ang CG2(57) at 54.1695 23.3973 44.8299 in (null):I-9999 (7) and C(74) at 57.169 23.798 44.811 in (null):P-9999 (9) other bump:2.18529 Ang CG2(57) at 54.1695 23.3973 44.8299 in (null):I-9999 (7) and O(73) at 56.282 23.119 45.315 in (null):P-9999 (9) other bump:2.5595 Ang CG2(13) at 51.4047 28.1234 41.8914 in (null):T-9999 (2) and O(59) at 52.297 26.206 43.333 in (null):I-9999 (7) Number of specific fragments= 1 total=1043 # 1b87A.65.69 read from T0136.t2k.frag # adding 1b87A to template set 1b87A:# found chain 1b87A in template set T0136 65 :NTELRDIVP 1b87A 70 :GWELHPLVV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28065 Ang OD1(49) at 58.5241 32.3342 34.384 in (null):D-9999 (6) and C(60) at 56.942 32.115 32.756 in (null):I-9999 (7) other bump:2.639 Ang CG(29) at 60.309 37.614 29.542 in (null):L-9999 (4) and CD1(58) at 58.1058 36.2321 29.99 in (null):I-9999 (7) other bump:2.82642 Ang CD2(31) at 59.412 38.241 28.491 in (null):L-9999 (4) and CD1(58) at 58.1058 36.2321 29.99 in (null):I-9999 (7) other bump:2.12879 Ang CD1(30) at 59.585 37.498 30.851 in (null):L-9999 (4) and CD1(58) at 58.1058 36.2321 29.99 in (null):I-9999 (7) other bump:2.556 Ang CD1(30) at 59.585 37.498 30.851 in (null):L-9999 (4) and CG1(56) at 57.9593 35.5965 31.3752 in (null):I-9999 (7) neighbor-bump: 2.30493 Ang OD1(49) at 58.5241 32.3342 34.384 in (null):D-9999 (6) and CA(54) at 57.486 33.534 32.712 in (null):I-9999 (7) neighbor-bump: 2.49423 Ang CG(48) at 58.9795 32.3738 35.544 in (null):D-9999 (6) and N(53) at 58.809 33.502 33.326 in (null):I-9999 (7) neighbor-bump: 1.60133 Ang OD1(49) at 58.5241 32.3342 34.384 in (null):D-9999 (6) and N(53) at 58.809 33.502 33.326 in (null):I-9999 (7) self-bump: 2.38777 Ang OD1(49) at 58.5241 32.3342 34.384 in (null):D-9999 (6) and C(52) at 59.336 34.541 33.969 in (null):D-9999 (6) other bump:2.08135 Ang OE2(23) at 67.98 36.312 31.741 in (null):E-9999 (3) and CZ(40) at 67.6185 34.3942 31.0176 in (null):R-9999 (5) other bump:2.97875 Ang CG(20) at 66.71 38.291 31.46 in (null):E-9999 (3) and NE(39) at 67.3442 35.4017 31.81 in (null):R-9999 (5) other bump:2.12017 Ang CD(21) at 67.733 37.45 32.195 in (null):E-9999 (3) and NE(39) at 67.3442 35.4017 31.81 in (null):R-9999 (5) other bump:1.11255 Ang OE2(23) at 67.98 36.312 31.741 in (null):E-9999 (3) and NE(39) at 67.3442 35.4017 31.81 in (null):R-9999 (5) other bump:2.5112 Ang CD(21) at 67.733 37.45 32.195 in (null):E-9999 (3) and CD(38) at 66.5432 35.3986 33.021 in (null):R-9999 (5) other bump:2.13002 Ang OE2(23) at 67.98 36.312 31.741 in (null):E-9999 (3) and CD(38) at 66.5432 35.3986 33.021 in (null):R-9999 (5) Number of specific fragments= 1 total=1044 # 1aihA.66.73 read from T0136.t2k.frag # found chain 1aihA in template set T0136 66 :TELRDIVPI 1aihA 241 :DELFDMLPK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1045 # 1bt3A.66.66 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 66 :TELRDIVPI 1bt3A 67 :VELMKALPA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39582 Ang O(16) at 10.286 41.216 21.821 in (null):E-9999 (2) and CD1(50) at 11.0024 43.4104 22.4624 in (null):I-9999 (6) other bump:2.49246 Ang CG2(5) at 5.67113 37.1489 17.4253 in (null):T-9999 (1) and NH2(34) at 6.98573 35.0331 17.5136 in (null):R-9999 (4) Number of specific fragments= 1 total=1046 # 1ktbA.66.69 read from T0136.t2k.frag # adding 1ktbA to template set 1ktbA:# found chain 1ktbA in template set T0136 66 :TELRDIVPI 1ktbA 70 :DAEGRLVPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67022 Ang CG2(5) at 65.6221 47.6041 10.6508 in (null):T-9999 (1) and CG1(56) at 64.081 47.757 12.826 in (null):V-9999 (7) Number of specific fragments= 1 total=1047 # 1nozA.66.66 read from T0136.t2k.frag # found chain 1nozA in template set T0136 66 :TELRD 1nozA 67 :RDWMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 1 total=1048 # 1ddbA.66.66 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 66 :TELRDIVPI 1ddbA 67 :FNQGRIEPD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.9734 Ang C(66) at -26.727 -2.112 17.464 in (null):P-9999 (8) and CG1(70) at -24.4799 -3.66267 18.6417 in (null):I-9999 (9) neighbor-bump: 2.85885 Ang CG1(56) at -25.3984 0.536949 19.7335 in (null):V-9999 (7) and CD(64) at -27.932 0.89 18.457 in (null):P-9999 (8) neighbor-bump: 1.49248 Ang O(16) at -37.62 3.109 32.507 in (null):E-9999 (2) and CD1(22) at -38.2016 2.05242 33.3861 in (null):L-9999 (3) neighbor-bump: 2.40774 Ang C(17) at -37.67 3.087 31.278 in (null):E-9999 (2) and CD1(22) at -38.2016 2.05242 33.3861 in (null):L-9999 (3) neighbor-bump: 2.33292 Ang O(16) at -37.62 3.109 32.507 in (null):E-9999 (2) and CG(21) at -37.0061 1.11834 33.5572 in (null):L-9999 (3) neighbor-bump: 1.77068 Ang O(0) at -42.849 7.163 34.111 in (null):G-9999 (0) and CG2(5) at -43.6779 5.88527 33.2079 in (null):T-9999 (1) neighbor-bump: 2.64173 Ang C(1) at -41.753 7.605 33.77 in (null):G-9999 (0) and CG2(5) at -43.6779 5.88527 33.2079 in (null):T-9999 (1) Number of specific fragments= 1 total=1049 # 1b87A.66.70 read from T0136.t2k.frag # found chain 1b87A in template set T0136 66 :TELRDIVPI 1b87A 71 :WELHPLVVE Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28065 Ang OD1(41) at 58.5241 32.3342 34.384 in (null):D-9999 (5) and C(52) at 56.942 32.115 32.756 in (null):I-9999 (6) other bump:2.12879 Ang CD1(22) at 59.585 37.498 30.851 in (null):L-9999 (3) and CD1(50) at 58.1058 36.2321 29.99 in (null):I-9999 (6) other bump:2.82642 Ang CD2(23) at 59.412 38.241 28.491 in (null):L-9999 (3) and CD1(50) at 58.1058 36.2321 29.99 in (null):I-9999 (6) other bump:2.639 Ang CG(21) at 60.309 37.614 29.542 in (null):L-9999 (3) and CD1(50) at 58.1058 36.2321 29.99 in (null):I-9999 (6) other bump:2.556 Ang CD1(22) at 59.585 37.498 30.851 in (null):L-9999 (3) and CG1(48) at 57.9593 35.5965 31.3752 in (null):I-9999 (6) neighbor-bump: 2.30493 Ang OD1(41) at 58.5241 32.3342 34.384 in (null):D-9999 (5) and CA(46) at 57.486 33.534 32.712 in (null):I-9999 (6) neighbor-bump: 1.60133 Ang OD1(41) at 58.5241 32.3342 34.384 in (null):D-9999 (5) and N(45) at 58.809 33.502 33.326 in (null):I-9999 (6) neighbor-bump: 2.49423 Ang CG(40) at 58.9795 32.3738 35.544 in (null):D-9999 (5) and N(45) at 58.809 33.502 33.326 in (null):I-9999 (6) self-bump: 2.38777 Ang OD1(41) at 58.5241 32.3342 34.384 in (null):D-9999 (5) and C(44) at 59.336 34.541 33.969 in (null):D-9999 (5) other bump:2.08135 Ang OE2(15) at 67.98 36.312 31.741 in (null):E-9999 (2) and CZ(32) at 67.6185 34.3942 31.0176 in (null):R-9999 (4) other bump:1.11255 Ang OE2(15) at 67.98 36.312 31.741 in (null):E-9999 (2) and NE(31) at 67.3442 35.4017 31.81 in (null):R-9999 (4) other bump:2.97875 Ang CG(12) at 66.71 38.291 31.46 in (null):E-9999 (2) and NE(31) at 67.3442 35.4017 31.81 in (null):R-9999 (4) other bump:2.12017 Ang CD(13) at 67.733 37.45 32.195 in (null):E-9999 (2) and NE(31) at 67.3442 35.4017 31.81 in (null):R-9999 (4) other bump:2.13002 Ang OE2(15) at 67.98 36.312 31.741 in (null):E-9999 (2) and CD(30) at 66.5432 35.3986 33.021 in (null):R-9999 (4) other bump:2.5112 Ang CD(13) at 67.733 37.45 32.195 in (null):E-9999 (2) and CD(30) at 66.5432 35.3986 33.021 in (null):R-9999 (4) Number of specific fragments= 1 total=1050 # 1aihA.67.74 read from T0136.t2k.frag # found chain 1aihA in template set T0136 67 :ELRDIVPID 1aihA 242 :ELFDMLPKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1051 # 1bt3A.67.67 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 67 :ELRDIVPID 1bt3A 68 :ELMKALPAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39582 Ang O(9) at 10.286 41.216 21.821 in (null):E-9999 (1) and CD1(43) at 11.0024 43.4104 22.4624 in (null):I-9999 (5) Number of specific fragments= 1 total=1052 # 1ktbA.67.70 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 67 :ELRDIVPID 1ktbA 71 :AEGRLVPDP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1053 # 1ddbA.67.67 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 67 :ELRDIVPID 1ddbA 68 :NQGRIEPDS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05212 Ang C(59) at -26.727 -2.112 17.464 in (null):P-9999 (7) and CG1(63) at -24.7388 -3.97873 18.8343 in (null):I-9999 (8) neighbor-bump: 2.85885 Ang CG1(49) at -25.3984 0.536949 19.7335 in (null):V-9999 (6) and CD(57) at -27.932 0.89 18.457 in (null):P-9999 (7) neighbor-bump: 1.49247 Ang O(9) at -37.62 3.109 32.507 in (null):E-9999 (1) and CD1(15) at -38.2016 2.05242 33.3862 in (null):L-9999 (2) neighbor-bump: 2.40774 Ang C(10) at -37.67 3.087 31.278 in (null):E-9999 (1) and CD1(15) at -38.2016 2.05242 33.3862 in (null):L-9999 (2) neighbor-bump: 2.33292 Ang O(9) at -37.62 3.109 32.507 in (null):E-9999 (1) and CG(14) at -37.0061 1.11834 33.5572 in (null):L-9999 (2) Number of specific fragments= 1 total=1054 # 1nozA.67.67 read from T0136.t2k.frag # found chain 1nozA in template set T0136 67 :ELRD 1nozA 68 :DWMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 1 total=1055 # 1b87A.67.71 read from T0136.t2k.frag # found chain 1b87A in template set T0136 67 :ELRDIVPID 1b87A 72 :ELHPLVVES Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28065 Ang OD1(34) at 58.5241 32.3342 34.384 in (null):D-9999 (4) and C(45) at 56.942 32.115 32.756 in (null):I-9999 (5) other bump:2.639 Ang CG(14) at 60.309 37.614 29.542 in (null):L-9999 (2) and CD1(43) at 58.1058 36.2321 29.99 in (null):I-9999 (5) other bump:2.12879 Ang CD1(15) at 59.585 37.498 30.851 in (null):L-9999 (2) and CD1(43) at 58.1058 36.2321 29.99 in (null):I-9999 (5) other bump:2.82642 Ang CD2(16) at 59.412 38.241 28.491 in (null):L-9999 (2) and CD1(43) at 58.1058 36.2321 29.99 in (null):I-9999 (5) other bump:2.556 Ang CD1(15) at 59.585 37.498 30.851 in (null):L-9999 (2) and CG1(41) at 57.9593 35.5965 31.3752 in (null):I-9999 (5) neighbor-bump: 2.30493 Ang OD1(34) at 58.5241 32.3342 34.384 in (null):D-9999 (4) and CA(39) at 57.486 33.534 32.712 in (null):I-9999 (5) neighbor-bump: 1.60133 Ang OD1(34) at 58.5241 32.3342 34.384 in (null):D-9999 (4) and N(38) at 58.809 33.502 33.326 in (null):I-9999 (5) neighbor-bump: 2.49423 Ang CG(33) at 58.9795 32.3738 35.544 in (null):D-9999 (4) and N(38) at 58.809 33.502 33.326 in (null):I-9999 (5) self-bump: 2.38777 Ang OD1(34) at 58.5241 32.3342 34.384 in (null):D-9999 (4) and C(37) at 59.336 34.541 33.969 in (null):D-9999 (4) other bump:2.08135 Ang OE2(8) at 67.98 36.312 31.741 in (null):E-9999 (1) and CZ(25) at 67.6185 34.3942 31.0176 in (null):R-9999 (3) other bump:2.97875 Ang CG(5) at 66.71 38.291 31.46 in (null):E-9999 (1) and NE(24) at 67.3442 35.4017 31.81 in (null):R-9999 (3) other bump:2.12017 Ang CD(6) at 67.733 37.45 32.195 in (null):E-9999 (1) and NE(24) at 67.3442 35.4017 31.81 in (null):R-9999 (3) other bump:1.11255 Ang OE2(8) at 67.98 36.312 31.741 in (null):E-9999 (1) and NE(24) at 67.3442 35.4017 31.81 in (null):R-9999 (3) other bump:2.5112 Ang CD(6) at 67.733 37.45 32.195 in (null):E-9999 (1) and CD(23) at 66.5432 35.3986 33.021 in (null):R-9999 (3) other bump:2.13002 Ang OE2(8) at 67.98 36.312 31.741 in (null):E-9999 (1) and CD(23) at 66.5432 35.3986 33.021 in (null):R-9999 (3) Number of specific fragments= 1 total=1056 # 1aihA.68.75 read from T0136.t2k.frag # found chain 1aihA in template set T0136 68 :LRDIVPIDG 1aihA 243 :LFDMLPKKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1057 # 1bt3A.68.68 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 68 :LRDIVPIDG 1bt3A 69 :LMKALPADD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39582 Ang O(0) at 10.286 41.216 21.821 in (null):G-9999 (0) and CD1(34) at 11.0024 43.4104 22.4624 in (null):I-9999 (4) Number of specific fragments= 1 total=1058 # 1ktbA.68.71 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 68 :LRDIVPIDG 1ktbA 72 :EGRLVPDPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1059 # 1ddbA.68.68 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 68 :LRDIVPIDG 1ddbA 69 :QGRIEPDSE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05212 Ang C(50) at -26.727 -2.112 17.464 in (null):P-9999 (6) and CG1(54) at -24.7388 -3.97873 18.8343 in (null):I-9999 (7) neighbor-bump: 2.85885 Ang CG1(40) at -25.3984 0.536949 19.7335 in (null):V-9999 (5) and CD(48) at -27.932 0.89 18.457 in (null):P-9999 (6) neighbor-bump: 1.49247 Ang O(0) at -37.62 3.109 32.507 in (null):G-9999 (0) and CD1(6) at -38.2016 2.05242 33.3861 in (null):L-9999 (1) neighbor-bump: 2.40774 Ang C(1) at -37.67 3.087 31.278 in (null):G-9999 (0) and CD1(6) at -38.2016 2.05242 33.3861 in (null):L-9999 (1) neighbor-bump: 2.33292 Ang O(0) at -37.62 3.109 32.507 in (null):G-9999 (0) and CG(5) at -37.0061 1.11835 33.5572 in (null):L-9999 (1) Number of specific fragments= 1 total=1060 # 1b87A.68.72 read from T0136.t2k.frag # found chain 1b87A in template set T0136 68 :LRDIVPIDG 1b87A 73 :LHPLVVESS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28065 Ang OD1(25) at 58.5241 32.3342 34.384 in (null):D-9999 (3) and C(36) at 56.942 32.115 32.756 in (null):I-9999 (4) other bump:2.12879 Ang CD1(6) at 59.585 37.498 30.851 in (null):L-9999 (1) and CD1(34) at 58.1058 36.2321 29.99 in (null):I-9999 (4) other bump:2.82642 Ang CD2(7) at 59.412 38.241 28.491 in (null):L-9999 (1) and CD1(34) at 58.1058 36.2321 29.99 in (null):I-9999 (4) other bump:2.639 Ang CG(5) at 60.309 37.614 29.542 in (null):L-9999 (1) and CD1(34) at 58.1058 36.2321 29.99 in (null):I-9999 (4) other bump:2.556 Ang CD1(6) at 59.585 37.498 30.851 in (null):L-9999 (1) and CG1(32) at 57.9593 35.5965 31.3752 in (null):I-9999 (4) neighbor-bump: 2.30493 Ang OD1(25) at 58.5241 32.3342 34.384 in (null):D-9999 (3) and CA(30) at 57.486 33.534 32.712 in (null):I-9999 (4) neighbor-bump: 1.60133 Ang OD1(25) at 58.5241 32.3342 34.384 in (null):D-9999 (3) and N(29) at 58.809 33.502 33.326 in (null):I-9999 (4) neighbor-bump: 2.49423 Ang CG(24) at 58.9795 32.3738 35.544 in (null):D-9999 (3) and N(29) at 58.809 33.502 33.326 in (null):I-9999 (4) self-bump: 2.38777 Ang OD1(25) at 58.5241 32.3342 34.384 in (null):D-9999 (3) and C(28) at 59.336 34.541 33.969 in (null):D-9999 (3) Number of specific fragments= 1 total=1061 # 1nozA.68.68 read from T0136.t2k.frag # found chain 1nozA in template set T0136 68 :LRD 1nozA 69 :WMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 1 total=1062 # 1aihA.69.76 read from T0136.t2k.frag # found chain 1aihA in template set T0136 69 :RDIVPIDGK 1aihA 244 :FDMLPKKRG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19571 Ang CG(66) at -31.8561 93.8908 38.9869 in (null):K-9999 (9) and N(72) at -30.424 95.183 40.036 in (null):G-9999 (10) self-bump: 2.53489 Ang CG(66) at -31.8561 93.8908 38.9869 in (null):K-9999 (9) and C(71) at -30.786 94.596 41.174 in (null):K-9999 (9) self-bump: 1.28408 Ang CA(64) at -32.248 94.211 41.328 in (null):K-9999 (9) and CB(65) at -32.7417 93.8978 40.1848 in (null):K-9999 (9) Number of specific fragments= 1 total=1063 # 1bt3A.69.69 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 69 :RDIVPIDGK 1bt3A 70 :MKALPADDP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1064 # 1ktbA.69.72 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 69 :RDIVPIDGK 1ktbA 73 :GRLVPDPER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1065 # 1ddbA.69.69 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 69 :RDIVPIDGK 1ddbA 70 :GRIEPDSES Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05212 Ang C(42) at -26.727 -2.112 17.464 in (null):P-9999 (5) and CG1(46) at -24.7388 -3.97873 18.8343 in (null):I-9999 (6) neighbor-bump: 2.85885 Ang CG1(32) at -25.3984 0.536949 19.7335 in (null):V-9999 (4) and CD(40) at -27.932 0.89 18.457 in (null):P-9999 (5) Number of specific fragments= 1 total=1066 # 1b87A.69.73 read from T0136.t2k.frag # found chain 1b87A in template set T0136 69 :RDIVPIDGK 1b87A 74 :HPLVVESSR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08637 Ang CG2(47) at 47.4162 27.3548 35.5112 in (null):I-9999 (6) and CG(66) at 44.8429 28.1226 33.9898 in (null):K-9999 (9) neighbor-bump: 2.28065 Ang OD1(17) at 58.5241 32.3342 34.384 in (null):D-9999 (2) and C(28) at 56.942 32.115 32.756 in (null):I-9999 (3) neighbor-bump: 2.30493 Ang OD1(17) at 58.5241 32.3342 34.384 in (null):D-9999 (2) and CA(22) at 57.486 33.534 32.712 in (null):I-9999 (3) neighbor-bump: 1.60133 Ang OD1(17) at 58.5241 32.3342 34.384 in (null):D-9999 (2) and N(21) at 58.809 33.502 33.326 in (null):I-9999 (3) neighbor-bump: 2.49423 Ang CG(16) at 58.9795 32.3738 35.544 in (null):D-9999 (2) and N(21) at 58.809 33.502 33.326 in (null):I-9999 (3) self-bump: 2.38777 Ang OD1(17) at 58.5241 32.3342 34.384 in (null):D-9999 (2) and C(20) at 59.336 34.541 33.969 in (null):D-9999 (2) Number of specific fragments= 1 total=1067 # 1nozA.69.69 read from T0136.t2k.frag # found chain 1nozA in template set T0136 69 :RD 1nozA 70 :MK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 1 total=1068 # 1bt3A.70.70 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 70 :DIVPIDGKK 1bt3A 71 :KALPADDPR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45775 Ang CG1(21) at 12.9025 35.4766 24.9176 in (null):V-9999 (3) and CA(71) at 12.932 33.228 23.926 in (null):G-9999 (10) Number of specific fragments= 1 total=1069 # 1aihA.70.77 read from T0136.t2k.frag # found chain 1aihA in template set T0136 70 :DIVPIDGKK 1aihA 245 :DMLPKKRGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40626 Ang CB(54) at -32.4704 93.919 40.1053 in (null):K-9999 (8) and N(61) at -30.424 95.183 40.036 in (null):K-9999 (9) self-bump: 2.10653 Ang CB(54) at -32.4704 93.919 40.1053 in (null):K-9999 (8) and C(60) at -30.786 94.596 41.174 in (null):K-9999 (8) self-bump: 1.27656 Ang CA(53) at -32.248 94.211 41.328 in (null):K-9999 (8) and CB(54) at -32.4704 93.919 40.1053 in (null):K-9999 (8) Number of specific fragments= 1 total=1070 # 1ktbA.70.73 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 70 :DIVPIDGKK 1ktbA 74 :RLVPDPERF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1071 # 1ddbA.70.70 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 70 :DIVPIDGKK 1ddbA 71 :RIEPDSESQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05212 Ang C(31) at -26.727 -2.112 17.464 in (null):P-9999 (4) and CG1(35) at -24.7388 -3.97873 18.8343 in (null):I-9999 (5) neighbor-bump: 2.85885 Ang CG1(21) at -25.3984 0.536949 19.7335 in (null):V-9999 (3) and CD(29) at -27.932 0.89 18.457 in (null):P-9999 (4) Number of specific fragments= 1 total=1072 # 1b87A.70.74 read from T0136.t2k.frag # found chain 1b87A in template set T0136 70 :DIVPIDGKK 1b87A 75 :PLVVESSRR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08637 Ang CG2(36) at 47.4162 27.3548 35.5112 in (null):I-9999 (5) and CG(55) at 44.8429 28.1226 33.9898 in (null):K-9999 (8) Number of specific fragments= 1 total=1073 # 1nozA.70.70 read from T0136.t2k.frag # found chain 1nozA in template set T0136 70 :D 1nozA 71 :K Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 1 total=1074 # 1bt3A.71.71 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 71 :IVPIDGKKG 1bt3A 72 :ALPADDPRN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45775 Ang CG1(13) at 12.9025 35.4766 24.9176 in (null):V-9999 (2) and CA(63) at 12.932 33.228 23.926 in (null):G-9999 (9) Number of specific fragments= 1 total=1075 # 1ktbA.71.74 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 71 :IVPIDGKKG 1ktbA 75 :LVPDPERFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1076 # 1ddbA.71.71 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 71 :IVPIDGKKG 1ddbA 72 :IEPDSESQE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05212 Ang C(23) at -26.727 -2.112 17.464 in (null):P-9999 (3) and CG1(27) at -24.7388 -3.97873 18.8343 in (null):I-9999 (4) neighbor-bump: 2.85885 Ang CG1(13) at -25.3984 0.536949 19.7335 in (null):V-9999 (2) and CD(21) at -27.932 0.89 18.457 in (null):P-9999 (3) Number of specific fragments= 1 total=1077 # 1aihA.71.78 read from T0136.t2k.frag # found chain 1aihA in template set T0136 71 :IVPIDGKKG 1aihA 246 :MLPKKRGRL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40626 Ang CB(46) at -32.4704 93.919 40.1053 in (null):K-9999 (7) and N(53) at -30.424 95.183 40.036 in (null):K-9999 (8) self-bump: 2.10653 Ang CB(46) at -32.4704 93.919 40.1053 in (null):K-9999 (7) and C(52) at -30.786 94.596 41.174 in (null):K-9999 (7) self-bump: 1.27656 Ang CA(45) at -32.248 94.211 41.328 in (null):K-9999 (7) and CB(46) at -32.4704 93.919 40.1053 in (null):K-9999 (7) Number of specific fragments= 1 total=1078 # 1b87A.71.75 read from T0136.t2k.frag # found chain 1b87A in template set T0136 71 :IVPIDGKKG 1b87A 76 :LVVESSRRK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08637 Ang CG2(28) at 47.4162 27.3548 35.5112 in (null):I-9999 (4) and CG(47) at 44.8429 28.1226 33.9898 in (null):K-9999 (7) Number of specific fragments= 1 total=1079 # 1nozA.71.71 read from T0136.t2k.frag # found chain 1nozA in template set Number of specific fragments= 0 total=1079 # 1ddbA.72.72 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 72 :VPIDGKKGY 1ddbA 73 :EPDSESQEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.93917 Ang O(56) at -18.906 -7.322 0.737 in (null):G-9999 (8) and CB(60) at -17.8439 -7.5636 -0.867345 in (null):Y-9999 (9) neighbor-bump: 2.30669 Ang C(57) at -19.504 -8.374 0.514 in (null):G-9999 (8) and CB(60) at -17.8439 -7.5636 -0.867345 in (null):Y-9999 (9) neighbor-bump: 3.05212 Ang C(15) at -26.727 -2.112 17.464 in (null):P-9999 (2) and CG1(19) at -24.7388 -3.97873 18.8343 in (null):I-9999 (3) Number of specific fragments= 1 total=1080 # 1bt3A.72.72 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 72 :VPIDGKKGY 1bt3A 73 :LPADDPRNF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58165 Ang CG2(6) at 12.6671 35.4072 25.2845 in (null):V-9999 (1) and CA(55) at 12.932 33.228 23.926 in (null):G-9999 (8) Number of specific fragments= 1 total=1081 # 1ktbA.72.75 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 72 :VPIDGKKGY 1ktbA 76 :VPDPERFPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1082 # 1aihA.72.79 read from T0136.t2k.frag # found chain 1aihA in template set T0136 72 :VPIDGKKGY 1aihA 247 :LPKKRGRLF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40626 Ang CB(38) at -32.4704 93.919 40.1053 in (null):K-9999 (6) and N(45) at -30.424 95.183 40.036 in (null):K-9999 (7) self-bump: 2.10653 Ang CB(38) at -32.4704 93.919 40.1053 in (null):K-9999 (6) and C(44) at -30.786 94.596 41.174 in (null):K-9999 (6) self-bump: 1.27656 Ang CA(37) at -32.248 94.211 41.328 in (null):K-9999 (6) and CB(38) at -32.4704 93.919 40.1053 in (null):K-9999 (6) Number of specific fragments= 1 total=1083 # 1b87A.72.76 read from T0136.t2k.frag # found chain 1b87A in template set T0136 72 :VPIDGKKGY 1b87A 77 :VVESSRRKN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5207 Ang O(52) at 46.248 26.778 27.352 in (null):K-9999 (7) and CD1(62) at 44.083 27.732 28.2216 in (null):Y-9999 (9) other bump:3.08637 Ang CG2(20) at 47.4162 27.3548 35.5112 in (null):I-9999 (3) and CG(39) at 44.8429 28.1226 33.9898 in (null):K-9999 (6) Number of specific fragments= 1 total=1084 # 1nozA.72.72 read from T0136.t2k.frag # found chain 1nozA in template set Number of specific fragments= 0 total=1084 # 1ddbA.73.73 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 73 :PIDGKKGYD 1ddbA 74 :PDSESQEEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05212 Ang C(8) at -26.727 -2.112 17.464 in (null):P-9999 (1) and CG1(12) at -24.7388 -3.97873 18.8343 in (null):I-9999 (2) Number of specific fragments= 1 total=1085 # 1bt3A.73.73 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 73 :PIDGKKGYD 1bt3A 74 :PADDPRNFY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.97211 Ang CD1(55) at 12.5976 34.2641 17.0125 in (null):Y-9999 (8) and OD1(67) at 15.5343 33.8469 17.1995 in (null):D-9999 (9) Number of specific fragments= 1 total=1086 # 1ktbA.73.76 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 73 :PIDGKKGYD 1ktbA 77 :PDPERFPRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26773 Ang O(61) at 55.732 54.096 16.222 in (null):Y-9999 (8) and CG(66) at 57.9647 54.1156 15.8252 in (null):D-9999 (9) Number of specific fragments= 1 total=1087 # 1b87A.73.77 read from T0136.t2k.frag # found chain 1b87A in template set T0136 73 :PIDGKKGYD 1b87A 78 :VESSRRKNQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75499 Ang O(45) at 46.248 26.778 27.352 in (null):K-9999 (6) and CE2(58) at 43.577 26.2726 27.7998 in (null):Y-9999 (8) other bump:2.4125 Ang O(45) at 46.248 26.778 27.352 in (null):K-9999 (6) and CD2(56) at 44.0578 27.5598 27.994 in (null):Y-9999 (8) other bump:3.08637 Ang CG2(13) at 47.4162 27.3548 35.5112 in (null):I-9999 (2) and CG(32) at 44.8429 28.1226 33.9898 in (null):K-9999 (5) Number of specific fragments= 1 total=1088 # 1aihA.73.80 read from T0136.t2k.frag # found chain 1aihA in template set T0136 73 :PIDGKKGYD 1aihA 248 :PKKRGRLFN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40626 Ang CB(31) at -32.4704 93.919 40.1053 in (null):K-9999 (5) and N(38) at -30.424 95.183 40.036 in (null):K-9999 (6) self-bump: 2.10653 Ang CB(31) at -32.4704 93.919 40.1053 in (null):K-9999 (5) and C(37) at -30.786 94.596 41.174 in (null):K-9999 (5) self-bump: 1.27656 Ang CA(30) at -32.248 94.211 41.328 in (null):K-9999 (5) and CB(31) at -32.4704 93.919 40.1053 in (null):K-9999 (5) Number of specific fragments= 1 total=1089 # 1nozA.73.73 read from T0136.t2k.frag # found chain 1nozA in template set Number of specific fragments= 0 total=1089 # 1ddbA.74.74 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 74 :IDGKKGYDV 1ddbA 75 :DSESQEEII Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.05212 Ang C(1) at -26.727 -2.112 17.464 in (null):G-9999 (0) and CG1(5) at -24.7388 -3.97873 18.8343 in (null):I-9999 (1) Number of specific fragments= 1 total=1090 # 1bt3A.74.74 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 74 :IDGKKGYDV 1bt3A 75 :ADDPRNFYQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73861 Ang CA(23) at 13.652 28.512 26.583 in (null):K-9999 (4) and CG1(67) at 14.8798 28.3097 24.1434 in (null):V-9999 (9) neighbor-bump: 2.9721 Ang CD1(48) at 12.5976 34.2641 17.0125 in (null):Y-9999 (7) and OD1(60) at 15.5343 33.8469 17.1995 in (null):D-9999 (8) Number of specific fragments= 1 total=1091 # 1ktbA.74.77 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 74 :IDGKKGYDV 1ktbA 78 :DPERFPRGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26773 Ang O(54) at 55.732 54.096 16.222 in (null):Y-9999 (7) and CG(59) at 57.9647 54.1156 15.8252 in (null):D-9999 (8) Number of specific fragments= 1 total=1092 # 1ycqA.74.74 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 74 :IDGKKGYDV 1ycqA 87 :FSVKEPRRL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98769 Ang CG(13) at 63.6896 18.7045 45.8784 in (null):D-9999 (2) and CB(24) at 65.775 16.63 45.355 in (null):K-9999 (4) other bump:2.48509 Ang OD1(14) at 64.4001 18.6511 44.9071 in (null):D-9999 (2) and CB(24) at 65.775 16.63 45.355 in (null):K-9999 (4) other bump:3.23848 Ang CG(13) at 63.6896 18.7045 45.8784 in (null):D-9999 (2) and CA(23) at 64.8 16.09 44.323 in (null):K-9999 (4) other bump:2.65709 Ang OD1(14) at 64.4001 18.6511 44.9071 in (null):D-9999 (2) and CA(23) at 64.8 16.09 44.323 in (null):K-9999 (4) other bump:2.84767 Ang CG(13) at 63.6896 18.7045 45.8784 in (null):D-9999 (2) and N(22) at 64.243 17.178 43.539 in (null):K-9999 (4) other bump:2.01651 Ang OD1(14) at 64.4001 18.6511 44.9071 in (null):D-9999 (2) and N(22) at 64.243 17.178 43.539 in (null):K-9999 (4) Number of specific fragments= 1 total=1093 # 1b87A.74.78 read from T0136.t2k.frag # found chain 1b87A in template set T0136 74 :IDGKKGYDV 1b87A 79 :ESSRRKNQI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75499 Ang O(38) at 46.248 26.778 27.352 in (null):K-9999 (5) and CE2(51) at 43.577 26.2726 27.7998 in (null):Y-9999 (7) other bump:2.4125 Ang O(38) at 46.248 26.778 27.352 in (null):K-9999 (5) and CD2(49) at 44.0578 27.5598 27.994 in (null):Y-9999 (7) Number of specific fragments= 1 total=1094 # 1nozA.74.74 read from T0136.t2k.frag # found chain 1nozA in template set T0136 82 :V 1nozA 83 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 1 total=1095 # 1ddbA.75.75 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 75 :DGKKGYDVR 1ddbA 76 :SESQEEIIH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21165 Ang CG(39) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (6) and NH2(71) at -18.4082 -6.66889 -4.05995 in (null):R-9999 (9) other bump:1.41035 Ang CD2(41) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (6) and NH2(71) at -18.4082 -6.66889 -4.05995 in (null):R-9999 (9) other bump:2.12772 Ang CE2(43) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (6) and NH2(71) at -18.4082 -6.66889 -4.05995 in (null):R-9999 (9) other bump:2.99699 Ang CG(39) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (6) and CZ(69) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (9) other bump:2.63856 Ang CD2(41) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (6) and CZ(69) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (9) other bump:3.20005 Ang CE2(43) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (6) and CZ(69) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (9) Number of specific fragments= 1 total=1096 # 1bt3A.75.75 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 75 :DGKKGYDVR 1bt3A 76 :DDPRNFYQQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73862 Ang CA(15) at 13.652 28.512 26.583 in (null):K-9999 (3) and CG1(59) at 14.8798 28.3097 24.1434 in (null):V-9999 (8) neighbor-bump: 2.9721 Ang CD1(40) at 12.5976 34.2641 17.0125 in (null):Y-9999 (6) and OD1(52) at 15.5343 33.8469 17.1995 in (null):D-9999 (7) Number of specific fragments= 1 total=1097 # 1ktbA.75.78 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 75 :DGKKGYDVR 1ktbA 79 :PERFPRGIK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26773 Ang O(46) at 55.732 54.096 16.222 in (null):Y-9999 (6) and CG(51) at 57.9647 54.1156 15.8252 in (null):D-9999 (7) Number of specific fragments= 1 total=1098 # 1jj7A.75.78 read from T0136.t2k.frag # adding 1jj7A to template set 1jj7A:Skipped atom 293, because occupancy 0.5 <= existing 0.500001 Skipped atom 295, because occupancy 0.5 <= existing 0.500001 Skipped atom 297, because occupancy 0.5 <= existing 0.500001 Skipped atom 299, because occupancy 0.5 <= existing 0.500001 Skipped atom 301, because occupancy 0.5 <= existing 0.500001 Skipped atom 303, because occupancy 0.5 <= existing 0.500001 Skipped atom 305, because occupancy 0.5 <= existing 0.500001 Skipped atom 307, because occupancy 0.5 <= existing 0.500001 Skipped atom 309, because occupancy 0.5 <= existing 0.500001 Skipped atom 311, because occupancy 0.5 <= existing 0.500001 Skipped atom 313, because occupancy 0.5 <= existing 0.500001 # found chain 1jj7A in template set T0136 75 :DGKKGYDVR 1jj7A 567 :KPLPQYEHR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1099 # 1ycqA.75.75 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 75 :DGKKGYDVR 1ycqA 88 :SVKEPRRLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1100 # 1f3lA.75.75 read from T0136.t2k.frag # adding 1f3lA to template set 1f3lA:# found chain 1f3lA in template set T0136 75 :DGKKGYDVR 1f3lA 283 :QSEILYQAM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18247 Ang CE2(43) at 72.323 41.219 230.761 in (null):Y-9999 (6) and NH2(71) at 70.3346 40.6446 230.068 in (null):R-9999 (9) other bump:2.11728 Ang CD2(41) at 71.335 42 231.351 in (null):Y-9999 (6) and NH2(71) at 70.3346 40.6446 230.068 in (null):R-9999 (9) Number of specific fragments= 1 total=1101 # 1ddbA.76.76 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 76 :GKKGYDVRD 1ddbA 77 :ESQEEIIHN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21165 Ang CG(31) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (5) and NH2(63) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (8) other bump:1.41036 Ang CD2(33) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (5) and NH2(63) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (8) other bump:2.12772 Ang CE2(35) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (5) and NH2(63) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (8) other bump:2.99699 Ang CG(31) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (5) and CZ(61) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (8) other bump:2.63856 Ang CD2(33) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (5) and CZ(61) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (8) other bump:3.20005 Ang CE2(35) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (5) and CZ(61) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (8) Number of specific fragments= 1 total=1102 # 1bt3A.76.76 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 76 :GKKGYDVRD 1bt3A 77 :DPRNFYQQA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73862 Ang CA(7) at 13.652 28.512 26.583 in (null):K-9999 (2) and CG1(51) at 14.8798 28.3097 24.1434 in (null):V-9999 (7) neighbor-bump: 2.9721 Ang CD1(32) at 12.5976 34.2641 17.0125 in (null):Y-9999 (5) and OD1(44) at 15.5343 33.8469 17.1995 in (null):D-9999 (6) Number of specific fragments= 1 total=1103 # 1jj7A.76.79 read from T0136.t2k.frag # found chain 1jj7A in template set T0136 76 :GKKGYDVRD 1jj7A 568 :PLPQYEHRY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1104 # 1ktbA.76.79 read from T0136.t2k.frag # found chain 1ktbA in template set T0136 76 :GKKGYDVRD 1ktbA 80 :ERFPRGIKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.26773 Ang O(38) at 55.732 54.096 16.222 in (null):Y-9999 (5) and CG(43) at 57.9647 54.1156 15.8252 in (null):D-9999 (6) Number of specific fragments= 1 total=1105 # 1ycqA.76.76 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 76 :GKKGYDVRD 1ycqA 89 :VKEPRRLYA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1106 # 1bhdA.76.80 read from T0136.t2k.frag # adding 1bhdA to template set 1bhdA:# found chain 1bhdA in template set T0136 76 :GKKGYDVRD 1bhdA 224 :IEKLLDPED Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1107 # 1ddbA.77.77 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 77 :KKGYDVRDV 1ddbA 78 :SQEEIIHNI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21165 Ang CG(27) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (4) and NH2(59) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (7) other bump:1.41036 Ang CD2(29) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (4) and NH2(59) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (7) other bump:2.12772 Ang CE2(31) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (4) and NH2(59) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (7) other bump:2.99699 Ang CG(27) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (4) and CZ(57) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (7) other bump:2.63856 Ang CD2(29) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (4) and CZ(57) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (7) other bump:3.20005 Ang CE2(31) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (4) and CZ(57) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (7) Number of specific fragments= 1 total=1108 # 7icd.77.82 read from T0136.t2k.frag # adding 7icd to template set 7icd:# found chain 7icd in template set T0136 77 :KKGYDVRDV 7icd 83 :WLPAETLDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1109 # 1iso.77.82 read from T0136.t2k.frag # adding 1iso to template set 1iso:# found chain 1iso in template set T0136 77 :KKGYDVRDV 1iso 83 :WLPAETLDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1110 # 1bhdA.77.81 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 77 :KKGYDVRDV 1bhdA 225 :EKLLDPEDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1111 # 1bt3A.77.77 read from T0136.t2k.frag # found chain 1bt3A in template set T0136 77 :KKGYDVRDV 1bt3A 78 :PRNFYQQAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73862 Ang CA(3) at 13.652 28.512 26.583 in (null):K-9999 (1) and CG1(47) at 14.8798 28.3097 24.1434 in (null):V-9999 (6) neighbor-bump: 2.9721 Ang CD1(28) at 12.5976 34.2641 17.0125 in (null):Y-9999 (4) and OD1(40) at 15.5343 33.8469 17.1995 in (null):D-9999 (5) Number of specific fragments= 1 total=1112 # 1jj7A.77.80 read from T0136.t2k.frag # found chain 1jj7A in template set T0136 77 :KKGYDVRDV 1jj7A 569 :LPQYEHRYL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43997 Ang CB(26) at 134.207 8.955 -7.376 in (null):Y-9999 (4) and CG2(74) at 136.556 8.91407 -6.7164 in (null):V-9999 (9) Number of specific fragments= 1 total=1113 # 1ddbA.78.78 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 78 :KGYDVRDVI 1ddbA 79 :QEEIIHNIA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12772 Ang CE2(22) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (3) and NH2(50) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (6) other bump:2.21165 Ang CG(18) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (3) and NH2(50) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (6) other bump:1.41036 Ang CD2(20) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (3) and NH2(50) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (6) other bump:3.20005 Ang CE2(22) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (3) and CZ(48) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (6) other bump:2.99699 Ang CG(18) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (3) and CZ(48) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (6) other bump:2.63856 Ang CD2(20) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (3) and CZ(48) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (6) Number of specific fragments= 1 total=1114 # 1bhdA.78.82 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 78 :KGYDVRDVI 1bhdA 226 :KLLDPEDVA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.1403 Ang CG1(38) at 15.817 2.49746 27.9352 in (null):V-9999 (5) and CD1(73) at 15.1207 4.14101 29.1162 in (null):I-9999 (9) Number of specific fragments= 1 total=1115 # 7icd.78.83 read from T0136.t2k.frag # found chain 7icd in template set T0136 78 :KGYDVRDVI 7icd 84 :LPAETLDLI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71263 Ang CE(7) at 85.2471 52.5936 7.95708 in (null):K-9999 (1) and CD(46) at 84.9304 52.8851 10.6354 in (null):R-9999 (6) other bump:2.34013 Ang NZ(8) at 84.4179 53.7013 8.50293 in (null):K-9999 (1) and CD(46) at 84.9304 52.8851 10.6354 in (null):R-9999 (6) other bump:2.82792 Ang CE(7) at 85.2471 52.5936 7.95708 in (null):K-9999 (1) and CG(45) at 84.8779 51.3609 10.4753 in (null):R-9999 (6) Number of specific fragments= 1 total=1116 # 1iso.78.83 read from T0136.t2k.frag # found chain 1iso in template set T0136 78 :KGYDVRDVI 1iso 84 :LPAETLDLI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72885 Ang CE(7) at -83.8141 -50.8904 7.56697 in (null):K-9999 (1) and CD(46) at -83.4232 -50.9824 10.2661 in (null):R-9999 (6) other bump:2.42171 Ang NZ(8) at -83.0596 -52.0463 8.12118 in (null):K-9999 (1) and CD(46) at -83.4232 -50.9824 10.2661 in (null):R-9999 (6) other bump:2.89756 Ang CE(7) at -83.8141 -50.8904 7.56697 in (null):K-9999 (1) and CG(45) at -83.2623 -49.4752 10.0344 in (null):R-9999 (6) Number of specific fragments= 1 total=1117 # 1jj7A.78.81 read from T0136.t2k.frag # found chain 1jj7A in template set T0136 78 :KGYDVRDVI 1jj7A 570 :PQYEHRYLH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43996 Ang CB(17) at 134.207 8.955 -7.376 in (null):Y-9999 (3) and CG2(65) at 136.556 8.91407 -6.71641 in (null):V-9999 (8) Number of specific fragments= 1 total=1118 # 3ladA.78.82 read from T0136.t2k.frag # adding 3ladA to template set 3ladA:# found chain 3ladA in template set T0136 80 :YDVRDVI 3ladA 85 :IDVPTMI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.59822 Ang CE1(8) at 34.552 43.8732 39.694 in (null):Y-9999 (1) and CG2(52) at 32.5802 45.1809 40.7678 in (null):V-9999 (6) other bump:2.75196 Ang CZ(10) at 34.3795 43.0999 40.8403 in (null):Y-9999 (1) and CG2(52) at 32.5802 45.1809 40.7678 in (null):V-9999 (6) other bump:2.29137 Ang OH(11) at 33.1805 42.4579 41.0652 in (null):Y-9999 (1) and CG1(51) at 31.0262 43.2293 40.9459 in (null):V-9999 (6) other bump:2.60864 Ang OH(11) at 33.1805 42.4579 41.0652 in (null):Y-9999 (1) and CB(50) at 31.5911 44.4343 41.6753 in (null):V-9999 (6) other bump:2.28691 Ang CE2(9) at 35.4081 42.9688 41.7638 in (null):Y-9999 (1) and CG2(26) at 36.123 42.689 43.918 in (null):V-9999 (3) other bump:2.60372 Ang CD2(7) at 36.6189 43.6179 41.5367 in (null):Y-9999 (1) and CG2(26) at 36.123 42.689 43.918 in (null):V-9999 (3) other bump:3.15525 Ang CE2(9) at 35.4081 42.9688 41.7638 in (null):Y-9999 (1) and CA(23) at 34.467 44.403 44.412 in (null):V-9999 (3) Number of specific fragments= 1 total=1119 # 1ddbA.79.79 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 79 :GYDVRDVIA 1ddbA 80 :EEIIHNIAR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21165 Ang CG(9) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (2) and NH2(41) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (5) other bump:1.41036 Ang CD2(11) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (2) and NH2(41) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (5) other bump:2.12772 Ang CE2(13) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (2) and NH2(41) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (5) other bump:2.99699 Ang CG(9) at -18.2301 -8.68453 -3.16726 in (null):Y-9999 (2) and CZ(39) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (5) other bump:2.63856 Ang CD2(11) at -19.172 -7.78683 -3.6651 in (null):Y-9999 (2) and CZ(39) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (5) other bump:3.20005 Ang CE2(13) at -19.8327 -8.02872 -4.86541 in (null):Y-9999 (2) and CZ(39) at -17.2476 -6.18052 -4.48885 in (null):R-9999 (5) Number of specific fragments= 1 total=1120 # 1bhdA.79.83 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 79 :GYDVRDVIA 1bhdA 227 :LLDPEDVAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15077 Ang CG1(29) at 15.817 2.49746 27.9352 in (null):V-9999 (4) and CD1(64) at 15.2554 4.20366 29.1181 in (null):I-9999 (8) Number of specific fragments= 1 total=1121 # 7icd.79.84 read from T0136.t2k.frag # found chain 7icd in template set T0136 79 :GYDVRDVIA 7icd 85 :PAETLDLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1122 # 1iso.79.84 read from T0136.t2k.frag # found chain 1iso in template set T0136 79 :GYDVRDVIA 1iso 85 :PAETLDLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1123 # 1jj7A.79.82 read from T0136.t2k.frag # found chain 1jj7A in template set T0136 79 :GYDVRDVIA 1jj7A 571 :QYEHRYLHR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43996 Ang CB(8) at 134.207 8.955 -7.376 in (null):Y-9999 (2) and CG2(56) at 136.556 8.91407 -6.71641 in (null):V-9999 (7) Number of specific fragments= 1 total=1124 # 1srrA.79.82 read from T0136.t2k.frag # found chain 1srrA in template set T0136 79 :GYDVRDVIA 1srrA 83 :AYGELDMIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1125 # 1bhdA.80.84 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 80 :YDVRDVIAK 1bhdA 228 :LDPEDVAVR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15077 Ang CG1(25) at 15.817 2.49746 27.9352 in (null):V-9999 (3) and CD1(60) at 15.2554 4.20366 29.1181 in (null):I-9999 (7) Number of specific fragments= 1 total=1126 # 1ddbA.80.80 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 80 :YDVRDVIAK 1ddbA 81 :EIIHNIARH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49219 Ang CG(5) at -18.318 -8.9869 -3.14906 in (null):Y-9999 (1) and NH2(37) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (4) other bump:1.88911 Ang CD1(6) at -19.3853 -8.21932 -3.60164 in (null):Y-9999 (1) and NH2(37) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (4) other bump:2.66073 Ang CE1(8) at -20.119 -8.58642 -4.74956 in (null):Y-9999 (1) and NH2(37) at -18.4081 -6.66889 -4.05995 in (null):R-9999 (4) Number of specific fragments= 1 total=1127 # 7icd.80.85 read from T0136.t2k.frag # found chain 7icd in template set T0136 80 :YDVRDVIAK 7icd 86 :AETLDLIRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1128 # 1iso.80.85 read from T0136.t2k.frag # found chain 1iso in template set T0136 80 :YDVRDVIAK 1iso 86 :AETLDLIRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1129 # 1jj7A.80.83 read from T0136.t2k.frag # found chain 1jj7A in template set T0136 80 :YDVRDVIAK 1jj7A 572 :YEHRYLHRQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43996 Ang CB(4) at 134.207 8.955 -7.376 in (null):Y-9999 (1) and CG2(52) at 136.556 8.91407 -6.71641 in (null):V-9999 (6) Number of specific fragments= 1 total=1130 # 1srrA.80.83 read from T0136.t2k.frag # found chain 1srrA in template set T0136 80 :YDVRDVIAK 1srrA 84 :YGELDMIQE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1131 # 1bhdA.81.85 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 81 :DVRDVIAKI 1bhdA 229 :DPEDVAVRL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15077 Ang CG1(13) at 15.817 2.49746 27.9352 in (null):V-9999 (2) and CD1(48) at 15.2554 4.20366 29.1181 in (null):I-9999 (6) Number of specific fragments= 1 total=1132 # 1ddbA.81.81 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 81 :DVRDVIAKI 1ddbA 82 :IIHNIARHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1133 # 1ycqA.81.81 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 81 :DVRDVIAKI 1ycqA 94 :RLYAMISRN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36162 Ang O(41) at 50.222 16.519 37.442 in (null):V-9999 (5) and CD1(70) at 49.1221 18.4944 36.7599 in (null):I-9999 (9) Number of specific fragments= 1 total=1134 # 7icd.81.86 read from T0136.t2k.frag # found chain 7icd in template set T0136 81 :DVRDVIAKI 7icd 87 :ETLDLIREY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1135 # 1iso.81.86 read from T0136.t2k.frag # found chain 1iso in template set T0136 81 :DVRDVIAKI 1iso 87 :ETLDLIREY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1136 # 1srrA.81.84 read from T0136.t2k.frag # found chain 1srrA in template set T0136 81 :DVRDVIAKI 1srrA 85 :GELDMIQES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1137 # 1ddbA.82.82 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 82 :VRDVIAKIV 1ddbA 83 :IHNIARHLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1138 # 1bhdA.82.86 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 82 :VRDVIAKIV 1bhdA 230 :PEDVAVRLP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15078 Ang CG1(5) at 15.817 2.49746 27.9352 in (null):V-9999 (1) and CD1(40) at 15.2554 4.20366 29.1181 in (null):I-9999 (5) Number of specific fragments= 1 total=1139 # 1k6dA.82.84 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 82 :VRDVIAKIV 1k6dA 85 :GRRMISGEM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32079 Ang OD1(24) at 30.9901 19.6514 -30.3623 in (null):D-9999 (3) and CD1(62) at 30.8585 21.9228 -30.8199 in (null):I-9999 (8) other bump:2.45634 Ang CG(23) at 30.5386 20.0472 -29.2664 in (null):D-9999 (3) and CD1(62) at 30.8585 21.9228 -30.8199 in (null):I-9999 (8) other bump:2.92969 Ang OD2(25) at 29.3171 20.1757 -29.0437 in (null):D-9999 (3) and CD1(62) at 30.8585 21.9228 -30.8199 in (null):I-9999 (8) other bump:3.05112 Ang CB(22) at 31.5059 20.3946 -28.1476 in (null):D-9999 (3) and CG1(60) at 31.8523 22.7936 -30.0007 in (null):I-9999 (8) Number of specific fragments= 1 total=1140 # 1ycqA.82.82 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 82 :VRDVIAKIV 1ycqA 95 :LYAMISRNL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36164 Ang O(33) at 50.222 16.519 37.442 in (null):V-9999 (4) and CD1(62) at 49.1221 18.4944 36.7599 in (null):I-9999 (8) Number of specific fragments= 1 total=1141 # 1ji8A.82.82 read from T0136.t2k.frag # adding 1ji8A to template set 1ji8A:# found chain 1ji8A in template set T0136 82 :VRDVIAKIV 1ji8A 83 :LEKIYQLFP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.71888 Ang CG2(61) at -23.6218 5.49316 0.203794 in (null):I-9999 (8) and N(65) at -23.943 5.056 2.868 in (null):V-9999 (9) other bump:2.36146 Ang O(41) at -24.771 9.495 3 in (null):I-9999 (5) and O(63) at -24.434 7.18 3.322 in (null):I-9999 (8) Number of specific fragments= 1 total=1142 # 1skf.82.84 read from T0136.t2k.frag # adding 1skf to template set 1skf:# found chain 1skf in template set T0136 82 :VRDVIAKIV 1skf 85 :VRQLLYGLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1143 # 1ddbA.83.83 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 83 :RDVIAKIVD 1ddbA 84 :HNIARHLAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1144 # 1k6dA.83.85 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 83 :RDVIAKIVD 1k6dA 86 :RRMISGEMD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45634 Ang CG(16) at 30.5386 20.0472 -29.2664 in (null):D-9999 (2) and CD1(55) at 30.8585 21.9228 -30.8199 in (null):I-9999 (7) other bump:2.32079 Ang OD1(17) at 30.9901 19.6514 -30.3623 in (null):D-9999 (2) and CD1(55) at 30.8585 21.9228 -30.8199 in (null):I-9999 (7) other bump:2.92969 Ang OD2(18) at 29.3171 20.1757 -29.0437 in (null):D-9999 (2) and CD1(55) at 30.8585 21.9228 -30.8199 in (null):I-9999 (7) other bump:3.05112 Ang CB(15) at 31.5059 20.3946 -28.1476 in (null):D-9999 (2) and CG1(53) at 31.8523 22.7936 -30.0007 in (null):I-9999 (7) Number of specific fragments= 1 total=1145 # 1bhdA.83.87 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 83 :RDVIAKIVD 1bhdA 231 :EDVAVRLPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1146 # 1ycqA.83.83 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 83 :RDVIAKIVD 1ycqA 96 :YAMISRNLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36164 Ang O(26) at 50.222 16.519 37.442 in (null):V-9999 (3) and CD1(55) at 49.1221 18.4944 36.7599 in (null):I-9999 (7) Number of specific fragments= 1 total=1147 # 1skf.83.85 read from T0136.t2k.frag # found chain 1skf in template set T0136 83 :RDVIAKIVD 1skf 86 :RQLLYGLML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1148 # 1ji8A.83.83 read from T0136.t2k.frag # found chain 1ji8A in template set T0136 83 :RDVIAKIVD 1ji8A 84 :EKIYQLFPS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.71888 Ang CG2(54) at -23.6218 5.49316 0.203794 in (null):I-9999 (7) and N(58) at -23.943 5.056 2.868 in (null):V-9999 (8) other bump:2.36146 Ang O(34) at -24.771 9.495 3 in (null):I-9999 (4) and O(56) at -24.434 7.18 3.322 in (null):I-9999 (7) Number of specific fragments= 1 total=1149 # 1ddbA.84.84 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 84 :DVIAKIVDW 1ddbA 85 :NIARHLAQI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3926 Ang CA(63) at -3.298 -3.01 8.505 in (null):W-9999 (9) and CB(64) at -2.80517 -4.16383 7.90076 in (null):W-9999 (9) Number of specific fragments= 1 total=1150 # 1k6dA.84.86 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 84 :DVIAKIVDW 1k6dA 87 :RMISGEMDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71007 Ang CG(5) at 30.5429 19.791 -29.1766 in (null):D-9999 (1) and CD1(44) at 30.8585 21.9228 -30.8199 in (null):I-9999 (6) other bump:2.51974 Ang OD1(6) at 31.0039 19.4626 -30.2952 in (null):D-9999 (1) and CD1(44) at 30.8585 21.9228 -30.8199 in (null):I-9999 (6) Number of specific fragments= 1 total=1151 # 1skf.84.86 read from T0136.t2k.frag # found chain 1skf in template set T0136 84 :DVIAKIVDW 1skf 87 :QLLYGLMLP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02004 Ang CA(31) at 30.851 3.992 53.063 in (null):K-9999 (5) and NE1(70) at 28.9865 6.31345 53.568 in (null):W-9999 (9) other bump:2.79114 Ang O(37) at 29.846 5.179 51.231 in (null):K-9999 (5) and CE2(68) at 29.0896 7.40461 52.736 in (null):W-9999 (9) Number of specific fragments= 1 total=1152 # 1bhdA.84.88 read from T0136.t2k.frag # found chain 1bhdA in template set T0136 84 :DVIAKIVDW 1bhdA 232 :DVAVRLPDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1153 # 1ji8A.84.84 read from T0136.t2k.frag # found chain 1ji8A in template set T0136 84 :DVIAKIVDW 1ji8A 85 :KIYQLFPSG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46999 Ang O(60) at -18.667 6.358 1.69 in (null):D-9999 (8) and CD2(67) at -17.669 4.11596 1.9696 in (null):W-9999 (9) neighbor-bump: 1.96597 Ang O(60) at -18.667 6.358 1.69 in (null):D-9999 (8) and CD1(66) at -17.1993 5.76479 0.524247 in (null):W-9999 (9) neighbor-bump: 1.73736 Ang O(60) at -18.667 6.358 1.69 in (null):D-9999 (8) and CG(65) at -18.1905 4.89458 0.883906 in (null):W-9999 (9) neighbor-bump: 2.63313 Ang C(61) at -19.746 6.905 1.571 in (null):D-9999 (8) and CG(65) at -18.1905 4.89458 0.883906 in (null):W-9999 (9) neighbor-bump: 2.3098 Ang O(60) at -18.667 6.358 1.69 in (null):D-9999 (8) and CB(64) at -19.5398 4.76193 0.266639 in (null):W-9999 (9) neighbor-bump: 2.51727 Ang C(61) at -19.746 6.905 1.571 in (null):D-9999 (8) and CB(64) at -19.5398 4.76193 0.266639 in (null):W-9999 (9) neighbor-bump: 2.71888 Ang CG2(43) at -23.6218 5.49316 0.203794 in (null):I-9999 (6) and N(47) at -23.943 5.056 2.868 in (null):V-9999 (7) other bump:2.36146 Ang O(23) at -24.771 9.495 3 in (null):I-9999 (3) and O(45) at -24.434 7.18 3.322 in (null):I-9999 (6) Number of specific fragments= 1 total=1154 # 1ycqA.84.84 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 84 :DVIAKIVDW 1ycqA 97 :AMISRNLVS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1723 Ang CG1(50) at 48.2781 11.8337 29.7334 in (null):V-9999 (7) and C(75) at 46.703 9.313 28.625 in (null):W-9999 (9) other bump:2.67988 Ang CG1(50) at 48.2781 11.8337 29.7334 in (null):V-9999 (7) and O(74) at 47.539 9.942 27.985 in (null):W-9999 (9) other bump:2.36164 Ang O(15) at 50.222 16.519 37.442 in (null):V-9999 (2) and CD1(44) at 49.1221 18.4944 36.7599 in (null):I-9999 (6) Number of specific fragments= 1 total=1155 # 1ddbA.85.85 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 85 :VIAKIVDWG 1ddbA 86 :IARHLAQIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1156 # 1skf.85.87 read from T0136.t2k.frag # found chain 1skf in template set T0136 85 :VIAKIVDWG 1skf 88 :LLYGLMLPS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06413 Ang CE3(61) at 27.657 8.71564 51.2858 in (null):W-9999 (8) and CA(73) at 30.07 8.073 49.51 in (null):G-9999 (10) other bump:2.8996 Ang CZ2(63) at 30.2009 8.18303 52.4046 in (null):W-9999 (8) and CA(73) at 30.07 8.073 49.51 in (null):G-9999 (10) other bump:2.42856 Ang CZ3(64) at 28.7563 9.49583 50.9755 in (null):W-9999 (8) and CA(73) at 30.07 8.073 49.51 in (null):G-9999 (10) other bump:2.32383 Ang CH2(65) at 30.0072 9.21653 51.532 in (null):W-9999 (8) and CA(73) at 30.07 8.073 49.51 in (null):G-9999 (10) other bump:3.17723 Ang CE3(61) at 27.657 8.71564 51.2858 in (null):W-9999 (8) and N(72) at 29.179 7.018 49.073 in (null):G-9999 (10) other bump:3.15242 Ang CZ3(64) at 28.7563 9.49583 50.9755 in (null):W-9999 (8) and N(72) at 29.179 7.018 49.073 in (null):G-9999 (10) neighbor-bump: 3.30365 Ang CE3(61) at 27.657 8.71564 51.2858 in (null):W-9999 (8) and C(71) at 28.116 7.309 48.332 in (null):G-9999 (9) other bump:3.02004 Ang CA(23) at 30.851 3.992 53.063 in (null):K-9999 (4) and NE1(62) at 28.9865 6.31344 53.568 in (null):W-9999 (8) other bump:2.79114 Ang O(29) at 29.846 5.179 51.231 in (null):K-9999 (4) and CE2(60) at 29.0896 7.40461 52.736 in (null):W-9999 (8) Number of specific fragments= 1 total=1157 # 1esiA.85.87 read from T0136.t2k.frag # found chain 1esiA in training set T0136 85 :VIAKIVDWG 1esiA 88 :LLYGLMLPS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90866 Ang CE3(61) at 20.4107 26.2539 25.5932 in (null):W-9999 (8) and CA(73) at 19.469 27.496 28.049 in (null):G-9999 (10) other bump:2.34784 Ang CZ3(64) at 21.1793 26.8552 26.5736 in (null):W-9999 (8) and CA(73) at 19.469 27.496 28.049 in (null):G-9999 (10) other bump:3.13076 Ang CE2(60) at 19.5078 28.44 25.0642 in (null):W-9999 (8) and CA(73) at 19.469 27.496 28.049 in (null):G-9999 (10) other bump:2.63627 Ang CZ2(63) at 20.2712 29.0398 26.0683 in (null):W-9999 (8) and CA(73) at 19.469 27.496 28.049 in (null):G-9999 (10) other bump:2.17834 Ang CH2(65) at 21.0949 28.2315 26.7998 in (null):W-9999 (8) and CA(73) at 19.469 27.496 28.049 in (null):G-9999 (10) other bump:3.08675 Ang CE3(61) at 20.4107 26.2539 25.5932 in (null):W-9999 (8) and N(72) at 18.329 26.625 27.842 in (null):G-9999 (10) other bump:3.12821 Ang CZ3(64) at 21.1793 26.8552 26.5736 in (null):W-9999 (8) and N(72) at 18.329 26.625 27.842 in (null):G-9999 (10) neighbor-bump: 3.2425 Ang CE3(61) at 20.4107 26.2539 25.5932 in (null):W-9999 (8) and C(71) at 18.443 25.309 27.991 in (null):G-9999 (9) other bump:2.88241 Ang CA(23) at 16.288 30.529 24.961 in (null):K-9999 (4) and NE1(62) at 18.6012 28.9924 24.1888 in (null):W-9999 (8) other bump:2.53152 Ang O(29) at 17.066 28.61 26.165 in (null):K-9999 (4) and NE1(62) at 18.6012 28.9924 24.1888 in (null):W-9999 (8) other bump:3.05813 Ang C(30) at 16.336 29.598 26.152 in (null):K-9999 (4) and NE1(62) at 18.6012 28.9924 24.1888 in (null):W-9999 (8) other bump:2.68385 Ang O(29) at 17.066 28.61 26.165 in (null):K-9999 (4) and CE2(60) at 19.5078 28.44 25.0642 in (null):W-9999 (8) Number of specific fragments= 1 total=1158 # 1ycqA.85.85 read from T0136.t2k.frag # found chain 1ycqA in template set T0136 85 :VIAKIVDWG 1ycqA 98 :MISRNLVSA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08283 Ang CD1(58) at 45.8051 7.48523 25.6658 in (null):W-9999 (8) and CA(73) at 48.029 5.627 26.717 in (null):G-9999 (10) other bump:2.68288 Ang NE1(62) at 45.6981 6.12366 25.4849 in (null):W-9999 (8) and CA(73) at 48.029 5.627 26.717 in (null):G-9999 (10) other bump:3.1723 Ang CG1(42) at 48.2781 11.8337 29.7334 in (null):V-9999 (6) and C(67) at 46.703 9.313 28.625 in (null):W-9999 (8) other bump:2.67988 Ang CG1(42) at 48.2781 11.8337 29.7334 in (null):V-9999 (6) and O(66) at 47.539 9.942 27.985 in (null):W-9999 (8) other bump:2.36164 Ang O(7) at 50.222 16.519 37.442 in (null):V-9999 (1) and CD1(36) at 49.1221 18.4944 36.7599 in (null):I-9999 (5) Number of specific fragments= 1 total=1159 # 1es5A.85.87 read from T0136.t2k.frag # adding 1es5A to template set 1es5A:# found chain 1es5A in template set T0136 85 :VIAKIVDWG 1es5A 88 :LLYGLMLPS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40569 Ang CZ3(64) at 17.4137 44.4876 49.4587 in (null):W-9999 (8) and CA(73) at 16.386 46.065 47.961 in (null):G-9999 (10) other bump:2.98804 Ang CZ2(63) at 16.0473 45.846 50.9217 in (null):W-9999 (8) and CA(73) at 16.386 46.065 47.961 in (null):G-9999 (10) other bump:2.42024 Ang CH2(65) at 16.1818 44.8217 50.0274 in (null):W-9999 (8) and CA(73) at 16.386 46.065 47.961 in (null):G-9999 (10) other bump:2.95831 Ang CE3(61) at 18.5543 45.2016 49.7789 in (null):W-9999 (8) and CA(73) at 16.386 46.065 47.961 in (null):G-9999 (10) other bump:3.18102 Ang CE3(61) at 18.5543 45.2016 49.7789 in (null):W-9999 (8) and N(72) at 17.321 47.088 47.534 in (null):G-9999 (10) other bump:2.27168 Ang CG(25) at 14.7837 47.4216 51.9614 in (null):K-9999 (4) and CZ2(63) at 16.0473 45.846 50.9217 in (null):W-9999 (8) other bump:1.8435 Ang CD(26) at 16.1459 46.8799 52.4448 in (null):K-9999 (4) and CZ2(63) at 16.0473 45.846 50.9217 in (null):W-9999 (8) other bump:3.06304 Ang CE(27) at 16.2354 46.6521 53.8708 in (null):K-9999 (4) and CZ2(63) at 16.0473 45.846 50.9217 in (null):W-9999 (8) other bump:2.59345 Ang CG(25) at 14.7837 47.4216 51.9614 in (null):K-9999 (4) and NE1(62) at 17.3646 47.624 52.1162 in (null):W-9999 (8) other bump:1.46524 Ang CD(26) at 16.1459 46.8799 52.4448 in (null):K-9999 (4) and NE1(62) at 17.3646 47.624 52.1162 in (null):W-9999 (8) other bump:2.30179 Ang CE(27) at 16.2354 46.6521 53.8708 in (null):K-9999 (4) and NE1(62) at 17.3646 47.624 52.1162 in (null):W-9999 (8) other bump:2.88691 Ang NZ(28) at 17.4288 45.6916 54.26 in (null):K-9999 (4) and NE1(62) at 17.3646 47.624 52.1162 in (null):W-9999 (8) other bump:2.79576 Ang CA(23) at 15.707 49.817 51.607 in (null):K-9999 (4) and NE1(62) at 17.3646 47.624 52.1162 in (null):W-9999 (8) other bump:3.19204 Ang C(30) at 15.872 49.607 50.109 in (null):K-9999 (4) and NE1(62) at 17.3646 47.624 52.1162 in (null):W-9999 (8) other bump:2.65956 Ang CG(25) at 14.7837 47.4216 51.9614 in (null):K-9999 (4) and CE2(60) at 17.1999 46.5571 51.2629 in (null):W-9999 (8) other bump:1.61614 Ang CD(26) at 16.1459 46.8799 52.4448 in (null):K-9999 (4) and CE2(60) at 17.1999 46.5571 51.2629 in (null):W-9999 (8) other bump:3.12801 Ang NZ(28) at 17.4288 45.6916 54.26 in (null):K-9999 (4) and CE2(60) at 17.1999 46.5571 51.2629 in (null):W-9999 (8) other bump:2.80379 Ang O(29) at 16.691 48.797 49.655 in (null):K-9999 (4) and CE2(60) at 17.1999 46.5571 51.2629 in (null):W-9999 (8) other bump:2.97018 Ang CD(26) at 16.1459 46.8799 52.4448 in (null):K-9999 (4) and CD2(59) at 18.4627 46.2508 50.6958 in (null):W-9999 (8) other bump:2.80425 Ang CD(26) at 16.1459 46.8799 52.4448 in (null):K-9999 (4) and CD1(58) at 18.6982 47.9858 52.0896 in (null):W-9999 (8) Number of specific fragments= 1 total=1160 # 1k6dA.85.87 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 85 :VIAKIVDWG 1k6dA 88 :MISGEMDVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1161 # 1ddbA.86.86 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 86 :IAKIVDWGD 1ddbA 87 :ARHLAQIGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1162 # 1skf.86.88 read from T0136.t2k.frag # found chain 1skf in template set T0136 86 :IAKIVDWGD 1skf 89 :LYGLMLPSG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82632 Ang CZ2(56) at 30.2009 8.18303 52.4046 in (null):W-9999 (7) and OD2(70) at 31.9713 9.76292 50.8692 in (null):D-9999 (9) other bump:2.14379 Ang CH2(58) at 30.0072 9.21653 51.532 in (null):W-9999 (7) and OD2(70) at 31.9713 9.76292 50.8692 in (null):D-9999 (9) other bump:2.20951 Ang CZ2(56) at 30.2009 8.18303 52.4046 in (null):W-9999 (7) and OD1(69) at 32.4061 8.31711 52.4313 in (null):D-9999 (9) other bump:2.71528 Ang CH2(58) at 30.0072 9.21653 51.532 in (null):W-9999 (7) and OD1(69) at 32.4061 8.31711 52.4313 in (null):D-9999 (9) other bump:1.91428 Ang CZ2(56) at 30.2009 8.18303 52.4046 in (null):W-9999 (7) and CG(68) at 31.7596 8.64883 51.3957 in (null):D-9999 (9) other bump:3.1486 Ang CZ3(57) at 28.7563 9.49583 50.9755 in (null):W-9999 (7) and CG(68) at 31.7596 8.64883 51.3957 in (null):D-9999 (9) other bump:1.8471 Ang CH2(58) at 30.0072 9.21653 51.532 in (null):W-9999 (7) and CG(68) at 31.7596 8.64883 51.3957 in (null):D-9999 (9) other bump:2.65934 Ang O(22) at 29.846 5.179 51.231 in (null):K-9999 (3) and CB(67) at 30.7349 7.65729 50.8567 in (null):D-9999 (9) other bump:2.51049 Ang CE2(53) at 29.0896 7.40461 52.736 in (null):W-9999 (7) and CB(67) at 30.7349 7.65729 50.8567 in (null):D-9999 (9) other bump:1.71975 Ang CZ2(56) at 30.2009 8.18303 52.4046 in (null):W-9999 (7) and CB(67) at 30.7349 7.65729 50.8567 in (null):D-9999 (9) other bump:2.70353 Ang CZ3(57) at 28.7563 9.49583 50.9755 in (null):W-9999 (7) and CB(67) at 30.7349 7.65729 50.8567 in (null):D-9999 (9) other bump:1.84848 Ang CH2(58) at 30.0072 9.21653 51.532 in (null):W-9999 (7) and CB(67) at 30.7349 7.65729 50.8567 in (null):D-9999 (9) other bump:3.06413 Ang CE3(54) at 27.657 8.71564 51.2858 in (null):W-9999 (7) and CA(66) at 30.07 8.073 49.51 in (null):D-9999 (9) other bump:2.8996 Ang CZ2(56) at 30.2009 8.18303 52.4046 in (null):W-9999 (7) and CA(66) at 30.07 8.073 49.51 in (null):D-9999 (9) other bump:2.42856 Ang CZ3(57) at 28.7563 9.49583 50.9755 in (null):W-9999 (7) and CA(66) at 30.07 8.073 49.51 in (null):D-9999 (9) other bump:2.32383 Ang CH2(58) at 30.0072 9.21653 51.532 in (null):W-9999 (7) and CA(66) at 30.07 8.073 49.51 in (null):D-9999 (9) other bump:3.17723 Ang CE3(54) at 27.657 8.71564 51.2858 in (null):W-9999 (7) and N(65) at 29.179 7.018 49.073 in (null):D-9999 (9) other bump:3.15242 Ang CZ3(57) at 28.7563 9.49583 50.9755 in (null):W-9999 (7) and N(65) at 29.179 7.018 49.073 in (null):D-9999 (9) neighbor-bump: 3.30365 Ang CE3(54) at 27.657 8.71564 51.2858 in (null):W-9999 (7) and C(64) at 28.116 7.309 48.332 in (null):G-9999 (8) other bump:3.02004 Ang CA(16) at 30.851 3.992 53.063 in (null):K-9999 (3) and NE1(55) at 28.9865 6.31344 53.568 in (null):W-9999 (7) other bump:2.79114 Ang O(22) at 29.846 5.179 51.231 in (null):K-9999 (3) and CE2(53) at 29.0896 7.40461 52.736 in (null):W-9999 (7) Number of specific fragments= 1 total=1163 # 1lis.86.91 read from T0136.t2k.frag # adding 1lis to template set 1lis:# found chain 1lis in template set T0136 86 :IAKIVDWGD 1lis 92 :IGRRIDMAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1164 # 2lisA.86.91 read from T0136.t2k.frag # found chain 2lisA in training set T0136 86 :IAKIVDWGD 2lisA 92 :IGRRIDMAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1165 # 1jyoE.86.87 read from T0136.t2k.frag # adding 1jyoE to template set 1jyoE:# found chain 1jyoE in template set T0136 86 :IAKIVDWGD 1jyoE 122 :CVKAADEGF Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56552 Ang CG(18) at 26.446 37.312 56.626 in (null):K-9999 (3) and CH2(58) at 25.2988 38.9191 58.264 in (null):W-9999 (7) other bump:2.52119 Ang CE(20) at 24.259 38.434 56.019 in (null):K-9999 (3) and CH2(58) at 25.2988 38.9191 58.264 in (null):W-9999 (7) other bump:2.90681 Ang NZ(21) at 24.853 39.701 55.5 in (null):K-9999 (3) and CH2(58) at 25.2988 38.9191 58.264 in (null):W-9999 (7) other bump:1.58769 Ang CD(19) at 25.105 37.827 57.128 in (null):K-9999 (3) and CH2(58) at 25.2988 38.9191 58.264 in (null):W-9999 (7) other bump:2.85957 Ang CG(18) at 26.446 37.312 56.626 in (null):K-9999 (3) and CZ3(57) at 25.5305 37.9507 59.2587 in (null):W-9999 (7) other bump:2.17628 Ang CD(19) at 25.105 37.827 57.128 in (null):K-9999 (3) and CZ3(57) at 25.5305 37.9507 59.2587 in (null):W-9999 (7) other bump:2.43024 Ang CG(18) at 26.446 37.312 56.626 in (null):K-9999 (3) and CZ2(56) at 26.3393 39.5328 57.6073 in (null):W-9999 (7) other bump:2.83861 Ang CE(20) at 24.259 38.434 56.019 in (null):K-9999 (3) and CZ2(56) at 26.3393 39.5328 57.6073 in (null):W-9999 (7) other bump:2.58419 Ang NZ(21) at 24.853 39.701 55.5 in (null):K-9999 (3) and CZ2(56) at 26.3393 39.5328 57.6073 in (null):W-9999 (7) other bump:2.15939 Ang CD(19) at 25.105 37.827 57.128 in (null):K-9999 (3) and CZ2(56) at 26.3393 39.5328 57.6073 in (null):W-9999 (7) other bump:3.02517 Ang CG(18) at 26.446 37.312 56.626 in (null):K-9999 (3) and CE3(54) at 26.8238 37.5827 59.6153 in (null):W-9999 (7) other bump:3.03324 Ang CD(19) at 25.105 37.827 57.128 in (null):K-9999 (3) and CE3(54) at 26.8238 37.5827 59.6153 in (null):W-9999 (7) other bump:2.57713 Ang CG(18) at 26.446 37.312 56.626 in (null):K-9999 (3) and CE2(53) at 27.6443 39.158 57.9669 in (null):W-9999 (7) other bump:2.98719 Ang CD(19) at 25.105 37.827 57.128 in (null):K-9999 (3) and CE2(53) at 27.6443 39.158 57.9669 in (null):W-9999 (7) other bump:2.89198 Ang CG(18) at 26.446 37.312 56.626 in (null):K-9999 (3) and CD2(52) at 27.9054 38.1936 58.9619 in (null):W-9999 (7) Number of specific fragments= 1 total=1166 # 1atg.86.87 read from T0136.t2k.frag # found chain 1atg in training set T0136 86 :IAKIVDWGD 1atg 89 :KPGLVDNQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56517 Ang CD1(7) at -9.37718 20.1368 31.7194 in (null):I-9999 (1) and CD1(29) at -7.60335 19.3792 33.4105 in (null):I-9999 (4) other bump:2.44746 Ang CB(4) at -8.00906 21.7768 33.1331 in (null):I-9999 (1) and CD1(29) at -7.60335 19.3792 33.4105 in (null):I-9999 (4) other bump:2.72379 Ang CG2(6) at -8.79155 21.6003 34.4468 in (null):I-9999 (1) and CD1(29) at -7.60335 19.3792 33.4105 in (null):I-9999 (4) other bump:3.18402 Ang CG2(6) at -8.79155 21.6003 34.4468 in (null):I-9999 (1) and CG1(27) at -6.92395 19.0372 34.7307 in (null):I-9999 (4) Number of specific fragments= 1 total=1167 # 1atg.87.88 read from T0136.t2k.frag # found chain 1atg in training set T0136 87 :AKIVDWGDY 1atg 90 :PGLVDNQGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1168 # 1ddbA.87.87 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 87 :AKIVDWGDY 1ddbA 88 :RHLAQIGDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1169 # 1jyoE.87.88 read from T0136.t2k.frag # found chain 1jyoE in template set T0136 87 :AKIVDWGDY 1jyoE 123 :VKAADEGFI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92161 Ang CG2(20) at 27.2782 31.5331 60.5297 in (null):I-9999 (3) and CZ(73) at 26.6746 28.8879 59.446 in (null):Y-9999 (9) other bump:2.1879 Ang CG2(20) at 27.2782 31.5331 60.5297 in (null):I-9999 (3) and CE1(71) at 27.5588 29.8955 59.1061 in (null):Y-9999 (9) other bump:2.48195 Ang CB(18) at 26.8121 32.2554 59.2883 in (null):I-9999 (3) and CE1(71) at 27.5588 29.8955 59.1061 in (null):Y-9999 (9) other bump:2.44278 Ang CG2(20) at 27.2782 31.5331 60.5297 in (null):I-9999 (3) and CD1(69) at 28.8486 29.8877 59.6387 in (null):Y-9999 (9) other bump:2.52119 Ang CE(12) at 24.259 38.434 56.019 in (null):K-9999 (2) and CH2(50) at 25.2988 38.9191 58.264 in (null):W-9999 (6) other bump:2.90681 Ang NZ(13) at 24.853 39.701 55.5 in (null):K-9999 (2) and CH2(50) at 25.2988 38.9191 58.264 in (null):W-9999 (6) other bump:2.56552 Ang CG(10) at 26.446 37.312 56.626 in (null):K-9999 (2) and CH2(50) at 25.2988 38.9191 58.264 in (null):W-9999 (6) other bump:1.58769 Ang CD(11) at 25.105 37.827 57.128 in (null):K-9999 (2) and CH2(50) at 25.2988 38.9191 58.264 in (null):W-9999 (6) other bump:2.85957 Ang CG(10) at 26.446 37.312 56.626 in (null):K-9999 (2) and CZ3(49) at 25.5305 37.9507 59.2587 in (null):W-9999 (6) other bump:2.17628 Ang CD(11) at 25.105 37.827 57.128 in (null):K-9999 (2) and CZ3(49) at 25.5305 37.9507 59.2587 in (null):W-9999 (6) other bump:2.83861 Ang CE(12) at 24.259 38.434 56.019 in (null):K-9999 (2) and CZ2(48) at 26.3393 39.5328 57.6073 in (null):W-9999 (6) other bump:2.58419 Ang NZ(13) at 24.853 39.701 55.5 in (null):K-9999 (2) and CZ2(48) at 26.3393 39.5328 57.6073 in (null):W-9999 (6) other bump:2.43024 Ang CG(10) at 26.446 37.312 56.626 in (null):K-9999 (2) and CZ2(48) at 26.3393 39.5328 57.6073 in (null):W-9999 (6) other bump:2.15939 Ang CD(11) at 25.105 37.827 57.128 in (null):K-9999 (2) and CZ2(48) at 26.3393 39.5328 57.6073 in (null):W-9999 (6) other bump:3.02517 Ang CG(10) at 26.446 37.312 56.626 in (null):K-9999 (2) and CE3(46) at 26.8238 37.5827 59.6153 in (null):W-9999 (6) other bump:3.03324 Ang CD(11) at 25.105 37.827 57.128 in (null):K-9999 (2) and CE3(46) at 26.8238 37.5827 59.6153 in (null):W-9999 (6) other bump:2.57713 Ang CG(10) at 26.446 37.312 56.626 in (null):K-9999 (2) and CE2(45) at 27.6443 39.158 57.9669 in (null):W-9999 (6) other bump:2.98719 Ang CD(11) at 25.105 37.827 57.128 in (null):K-9999 (2) and CE2(45) at 27.6443 39.158 57.9669 in (null):W-9999 (6) other bump:2.89198 Ang CG(10) at 26.446 37.312 56.626 in (null):K-9999 (2) and CD2(44) at 27.9054 38.1936 58.9619 in (null):W-9999 (6) Number of specific fragments= 1 total=1170 # 1lis.87.92 read from T0136.t2k.frag # found chain 1lis in template set T0136 87 :AKIVDWGDY 1lis 93 :GRRIDMAYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1171 # 2lisA.87.92 read from T0136.t2k.frag # found chain 2lisA in training set T0136 87 :AKIVDWGDY 2lisA 93 :GRRIDMAYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1172 # 1gh2A.87.89 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 87 :AKIVDWGDY 1gh2A 91 :YQGADAVGL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77803 Ang OD2(36) at 58.905 12.422 9.887 in (null):D-9999 (5) and CG(60) at 61.6201 12.4855 9.30272 in (null):D-9999 (8) neighbor-bump: 2.17533 Ang O(14) at 58.526 14.262 2.863 in (null):K-9999 (2) and CG2(20) at 56.8687 12.853 2.86974 in (null):I-9999 (3) neighbor-bump: 2.67376 Ang C(15) at 58.15 15.012 1.95 in (null):K-9999 (2) and CG2(20) at 56.8687 12.853 2.86974 in (null):I-9999 (3) neighbor-bump: 1.70358 Ang O(14) at 58.526 14.262 2.863 in (null):K-9999 (2) and CG1(19) at 58.0486 14.3632 4.49519 in (null):I-9999 (3) neighbor-bump: 2.62853 Ang C(15) at 58.15 15.012 1.95 in (null):K-9999 (2) and CG1(19) at 58.0486 14.3632 4.49519 in (null):I-9999 (3) neighbor-bump: 2.08989 Ang O(14) at 58.526 14.262 2.863 in (null):K-9999 (2) and CB(18) at 56.6987 14.0206 3.84807 in (null):I-9999 (3) neighbor-bump: 2.58686 Ang C(15) at 58.15 15.012 1.95 in (null):K-9999 (2) and CB(18) at 56.6987 14.0206 3.84807 in (null):I-9999 (3) Number of specific fragments= 1 total=1173 # 1atg.88.89 read from T0136.t2k.frag # found chain 1atg in training set T0136 88 :KIVDWGDYL 1atg 91 :GLVDNQGKV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.18199 Ang O(17) at -2.921 17.226 36.192 in (null):I-9999 (2) and CD2(77) at -2.2543 16.4369 35.6176 in (null):L-9999 (9) other bump:2.18674 Ang C(18) at -3.263 18.362 35.859 in (null):I-9999 (2) and CD2(77) at -2.2543 16.4369 35.6176 in (null):L-9999 (9) other bump:2.80953 Ang N(19) at -2.388 19.231 35.356 in (null):V-9999 (3) and CD2(77) at -2.2543 16.4369 35.6176 in (null):L-9999 (9) other bump:2.80623 Ang CA(20) at -0.973 18.906 35.248 in (null):V-9999 (3) and CD2(77) at -2.2543 16.4369 35.6176 in (null):L-9999 (9) other bump:2.42386 Ang O(17) at -2.921 17.226 36.192 in (null):I-9999 (2) and CG(75) at -2.08557 14.9629 35.9561 in (null):L-9999 (9) Number of specific fragments= 1 total=1174 # 1gh2A.88.90 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 88 :KIVDWGDYL 1gh2A 92 :QGADAVGLE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77803 Ang OD2(31) at 58.905 12.422 9.887 in (null):D-9999 (4) and CG(55) at 61.6201 12.4855 9.30272 in (null):D-9999 (7) neighbor-bump: 2.17533 Ang O(9) at 58.526 14.262 2.863 in (null):K-9999 (1) and CG2(15) at 56.8687 12.853 2.86974 in (null):I-9999 (2) neighbor-bump: 2.67376 Ang C(10) at 58.15 15.012 1.95 in (null):K-9999 (1) and CG2(15) at 56.8687 12.853 2.86974 in (null):I-9999 (2) neighbor-bump: 1.70358 Ang O(9) at 58.526 14.262 2.863 in (null):K-9999 (1) and CG1(14) at 58.0486 14.3632 4.49519 in (null):I-9999 (2) neighbor-bump: 2.62853 Ang C(10) at 58.15 15.012 1.95 in (null):K-9999 (1) and CG1(14) at 58.0486 14.3632 4.49519 in (null):I-9999 (2) neighbor-bump: 2.08989 Ang O(9) at 58.526 14.262 2.863 in (null):K-9999 (1) and CB(13) at 56.6987 14.0206 3.84807 in (null):I-9999 (2) neighbor-bump: 2.58686 Ang C(10) at 58.15 15.012 1.95 in (null):K-9999 (1) and CB(13) at 56.6987 14.0206 3.84807 in (null):I-9999 (2) Number of specific fragments= 1 total=1175 # 1jyoE.88.89 read from T0136.t2k.frag # found chain 1jyoE in template set T0136 88 :KIVDWGDYL 1jyoE 124 :KAADEGFIN Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61302 Ang CB(13) at 26.8121 32.2554 59.2883 in (null):I-9999 (2) and CE1(66) at 27.1535 29.6988 59.7062 in (null):Y-9999 (8) other bump:2.01454 Ang CG2(15) at 27.2782 31.5331 60.5297 in (null):I-9999 (2) and CE1(66) at 27.1535 29.6988 59.7062 in (null):Y-9999 (8) other bump:3.05514 Ang CB(13) at 26.8121 32.2554 59.2883 in (null):I-9999 (2) and CD1(64) at 28.479 29.8594 60.1905 in (null):Y-9999 (8) other bump:2.08765 Ang CG2(15) at 27.2782 31.5331 60.5297 in (null):I-9999 (2) and CD1(64) at 28.479 29.8594 60.1905 in (null):Y-9999 (8) other bump:2.52119 Ang CE(7) at 24.259 38.434 56.019 in (null):K-9999 (1) and CH2(45) at 25.2988 38.9191 58.264 in (null):W-9999 (5) other bump:2.90681 Ang NZ(8) at 24.853 39.701 55.5 in (null):K-9999 (1) and CH2(45) at 25.2988 38.9191 58.264 in (null):W-9999 (5) other bump:2.56552 Ang CG(5) at 26.446 37.312 56.626 in (null):K-9999 (1) and CH2(45) at 25.2988 38.9191 58.264 in (null):W-9999 (5) other bump:1.58769 Ang CD(6) at 25.105 37.827 57.128 in (null):K-9999 (1) and CH2(45) at 25.2988 38.9191 58.264 in (null):W-9999 (5) other bump:2.85957 Ang CG(5) at 26.446 37.312 56.626 in (null):K-9999 (1) and CZ3(44) at 25.5305 37.9507 59.2587 in (null):W-9999 (5) other bump:2.17628 Ang CD(6) at 25.105 37.827 57.128 in (null):K-9999 (1) and CZ3(44) at 25.5305 37.9507 59.2587 in (null):W-9999 (5) other bump:2.83861 Ang CE(7) at 24.259 38.434 56.019 in (null):K-9999 (1) and CZ2(43) at 26.3393 39.5328 57.6073 in (null):W-9999 (5) other bump:2.58419 Ang NZ(8) at 24.853 39.701 55.5 in (null):K-9999 (1) and CZ2(43) at 26.3393 39.5328 57.6073 in (null):W-9999 (5) other bump:2.43024 Ang CG(5) at 26.446 37.312 56.626 in (null):K-9999 (1) and CZ2(43) at 26.3393 39.5328 57.6073 in (null):W-9999 (5) other bump:2.15939 Ang CD(6) at 25.105 37.827 57.128 in (null):K-9999 (1) and CZ2(43) at 26.3393 39.5328 57.6073 in (null):W-9999 (5) other bump:3.02517 Ang CG(5) at 26.446 37.312 56.626 in (null):K-9999 (1) and CE3(41) at 26.8238 37.5827 59.6153 in (null):W-9999 (5) other bump:3.03324 Ang CD(6) at 25.105 37.827 57.128 in (null):K-9999 (1) and CE3(41) at 26.8238 37.5827 59.6153 in (null):W-9999 (5) other bump:2.57713 Ang CG(5) at 26.446 37.312 56.626 in (null):K-9999 (1) and CE2(40) at 27.6443 39.158 57.9669 in (null):W-9999 (5) other bump:2.98719 Ang CD(6) at 25.105 37.827 57.128 in (null):K-9999 (1) and CE2(40) at 27.6443 39.158 57.9669 in (null):W-9999 (5) other bump:2.89198 Ang CG(5) at 26.446 37.312 56.626 in (null):K-9999 (1) and CD2(39) at 27.9054 38.1936 58.9619 in (null):W-9999 (5) Number of specific fragments= 1 total=1176 # 1ddbA.88.88 read from T0136.t2k.frag # found chain 1ddbA in template set T0136 88 :KIVDWGDYL 1ddbA 89 :HLAQIGDEM Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55138 Ang CE3(41) at 0.072553 -4.32745 6.24464 in (null):W-9999 (5) and CD2(77) at 1.59124 -3.12676 7.9064 in (null):L-9999 (9) other bump:2.95 Ang CZ2(43) at 1.67021 -6.07431 7.81545 in (null):W-9999 (5) and CD2(77) at 1.59124 -3.12676 7.9064 in (null):L-9999 (9) other bump:2.4272 Ang CZ3(44) at 1.41527 -4.54938 5.9477 in (null):W-9999 (5) and CD2(77) at 1.59124 -3.12676 7.9064 in (null):L-9999 (9) other bump:2.64346 Ang CH2(45) at 2.19806 -5.41605 6.73217 in (null):W-9999 (5) and CD2(77) at 1.59124 -3.12676 7.9064 in (null):L-9999 (9) other bump:2.45465 Ang CE2(40) at 0.321805 -5.85176 8.1139 in (null):W-9999 (5) and CD1(76) at 1.35243 -4.56569 9.933 in (null):L-9999 (9) other bump:2.61933 Ang CZ2(43) at 1.67021 -6.07431 7.81545 in (null):W-9999 (5) and CD1(76) at 1.35243 -4.56569 9.933 in (null):L-9999 (9) other bump:2.67814 Ang NE1(42) at -0.455643 -6.36516 9.11743 in (null):W-9999 (5) and CD1(76) at 1.35243 -4.56569 9.933 in (null):L-9999 (9) other bump:3.17035 Ang CZ2(43) at 1.67021 -6.07431 7.81545 in (null):W-9999 (5) and CG(75) at 1.9963 -3.324 9.35837 in (null):L-9999 (9) Number of specific fragments= 1 total=1177 # 1lis.88.93 read from T0136.t2k.frag # found chain 1lis in template set T0136 88 :KIVDWGDYL 1lis 94 :RRIDMAYFY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.70418 Ang CE3(41) at 29.5181 32.4785 65.0845 in (null):W-9999 (5) and CD2(77) at 27.947 32.793 64.504 in (null):L-9999 (9) other bump:1.50883 Ang CZ3(44) at 29.2778 32.98 63.818 in (null):W-9999 (5) and CD2(77) at 27.947 32.793 64.504 in (null):L-9999 (9) other bump:2.836 Ang CH2(45) at 30.2074 32.7954 62.7912 in (null):W-9999 (5) and CD2(77) at 27.947 32.793 64.504 in (null):L-9999 (9) other bump:3.04995 Ang CE3(41) at 29.5181 32.4785 65.0845 in (null):W-9999 (5) and CD1(76) at 27.421 34.309 66.331 in (null):L-9999 (9) other bump:2.70248 Ang CE3(41) at 29.5181 32.4785 65.0845 in (null):W-9999 (5) and CG(75) at 27.013 33.469 65.301 in (null):L-9999 (9) other bump:2.75094 Ang CZ3(44) at 29.2778 32.98 63.818 in (null):W-9999 (5) and CG(75) at 27.013 33.469 65.301 in (null):L-9999 (9) Number of specific fragments= 1 total=1178 # 2lisA.88.93 read from T0136.t2k.frag # found chain 2lisA in training set T0136 88 :KIVDWGDYL 2lisA 94 :RRIDMAYFY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.59017 Ang CE3(41) at 28.9434 32.0449 65.0477 in (null):W-9999 (5) and CD2(77) at 27.517 32.129 64.35 in (null):L-9999 (9) other bump:1.32795 Ang CZ3(44) at 28.6458 32.5594 63.7987 in (null):W-9999 (5) and CD2(77) at 27.517 32.129 64.35 in (null):L-9999 (9) other bump:2.60017 Ang CH2(45) at 29.535 32.3993 62.7328 in (null):W-9999 (5) and CD2(77) at 27.517 32.129 64.35 in (null):L-9999 (9) other bump:2.73294 Ang CE3(41) at 28.9434 32.0449 65.0477 in (null):W-9999 (5) and CD1(76) at 26.98 33.598 66.144 in (null):L-9999 (9) other bump:3.05846 Ang CZ3(44) at 28.6458 32.5594 63.7987 in (null):W-9999 (5) and CD1(76) at 26.98 33.598 66.144 in (null):L-9999 (9) other bump:2.50673 Ang CE3(41) at 28.9434 32.0449 65.0477 in (null):W-9999 (5) and CG(75) at 26.547 32.776 65.127 in (null):L-9999 (9) other bump:2.49328 Ang CZ3(44) at 28.6458 32.5594 63.7987 in (null):W-9999 (5) and CG(75) at 26.547 32.776 65.127 in (null):L-9999 (9) Number of specific fragments= 1 total=1179 # 1atg.89.90 read from T0136.t2k.frag # found chain 1atg in training set T0136 89 :IVDWGDYLE 1atg 92 :LVDNQGKVL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80954 Ang N(10) at -2.388 19.231 35.356 in (null):V-9999 (2) and CD2(68) at -2.25431 16.4369 35.6176 in (null):L-9999 (8) other bump:2.80624 Ang CA(11) at -0.973 18.906 35.248 in (null):V-9999 (2) and CD2(68) at -2.25431 16.4369 35.6176 in (null):L-9999 (8) other bump:1.18199 Ang O(8) at -2.921 17.226 36.192 in (null):I-9999 (1) and CD2(68) at -2.25431 16.4369 35.6176 in (null):L-9999 (8) other bump:2.18674 Ang C(9) at -3.263 18.362 35.859 in (null):I-9999 (1) and CD2(68) at -2.25431 16.4369 35.6176 in (null):L-9999 (8) other bump:2.42386 Ang O(8) at -2.921 17.226 36.192 in (null):I-9999 (1) and CG(66) at -2.08558 14.9629 35.9561 in (null):L-9999 (8) Number of specific fragments= 1 total=1180 # 1gh2A.89.91 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 89 :IVDWGDYLE 1gh2A 93 :GADAVGLEE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77803 Ang OD2(22) at 58.905 12.422 9.887 in (null):D-9999 (3) and CG(46) at 61.6201 12.4855 9.30272 in (null):D-9999 (6) neighbor-bump: 2.43983 Ang CG2(6) at 54.0938 14.9506 4.40945 in (null):I-9999 (1) and CB(12) at 52.8362 16.4649 5.85099 in (null):V-9999 (2) neighbor-bump: 2.58008 Ang CG2(6) at 54.0938 14.9506 4.40945 in (null):I-9999 (1) and CA(11) at 54.52 16.864 6.087 in (null):V-9999 (2) neighbor-bump: 2.27965 Ang CB(4) at 55.0191 14.5118 3.29982 in (null):I-9999 (1) and N(10) at 54.95 16.005 5.021 in (null):V-9999 (2) neighbor-bump: 1.48954 Ang CG2(6) at 54.0938 14.9506 4.40945 in (null):I-9999 (1) and N(10) at 54.95 16.005 5.021 in (null):V-9999 (2) self-bump: 2.30754 Ang CG2(6) at 54.0938 14.9506 4.40945 in (null):I-9999 (1) and C(9) at 55.907 16.357 4.166 in (null):I-9999 (1) Number of specific fragments= 1 total=1181 # 1yacA.89.89 read from T0136.t2k.frag # found chain 1yacA in template set T0136 89 :IVDWGDYLE 1yacA 90 :AWDNEDFVK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07611 Ang CG1(5) at 43.8191 -27.2657 5.42893 in (null):I-9999 (1) and CD2(56) at 42.2304 -26.8622 2.82591 in (null):Y-9999 (7) other bump:2.77862 Ang CG1(5) at 43.8191 -27.2657 5.42893 in (null):I-9999 (1) and CG(54) at 42.0504 -28.0942 3.45262 in (null):Y-9999 (7) other bump:2.72963 Ang NE1(33) at 44.3498 -33.8285 3.71763 in (null):W-9999 (4) and CB(45) at 42.583 -34.602 1.786 in (null):D-9999 (6) Number of specific fragments= 1 total=1182 # 1jyoE.89.90 read from T0136.t2k.frag # found chain 1jyoE in template set T0136 89 :IVDWGDYLE 1jyoE 125 :AADEGFINL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61302 Ang CB(4) at 26.8121 32.2554 59.2883 in (null):I-9999 (1) and CE1(57) at 27.1535 29.6988 59.7062 in (null):Y-9999 (7) other bump:2.01454 Ang CG2(6) at 27.2782 31.5331 60.5297 in (null):I-9999 (1) and CE1(57) at 27.1535 29.6988 59.7062 in (null):Y-9999 (7) other bump:3.05513 Ang CB(4) at 26.8121 32.2554 59.2883 in (null):I-9999 (1) and CD1(55) at 28.479 29.8594 60.1905 in (null):Y-9999 (7) other bump:2.08764 Ang CG2(6) at 27.2782 31.5331 60.5297 in (null):I-9999 (1) and CD1(55) at 28.479 29.8594 60.1905 in (null):Y-9999 (7) Number of specific fragments= 1 total=1183 # 1np4A.89.97 read from T0136.t2k.frag # adding 1np4A to template set 1np4A:# found chain 1np4A in template set T0136 89 :IVDWGDYLE 1np4A 98 :AVTAGNYYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1184 # 1nulA.89.90 read from T0136.t2k.frag # adding 1nulA to template set 1nulA:Skipped atom 155, because occupancy 0.5 <= existing 0.500001 Skipped atom 157, because occupancy 0.5 <= existing 0.500001 Skipped atom 994, because occupancy 0.5 <= existing 0.500001 Skipped atom 996, because occupancy 0.5 <= existing 0.500001 Skipped atom 998, because occupancy 0.5 <= existing 0.500001 Skipped atom 1000, because occupancy 0.5 <= existing 0.500001 # found chain 1nulA in template set T0136 89 :IVDWGDYLE 1nulA 91 :VDTGGTAVA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11191 Ang OD2(22) at 6.69509 5.94641 -9.18029 in (null):D-9999 (3) and NE1(33) at 5.16361 4.49267 -9.14291 in (null):W-9999 (4) neighbor-bump: 2.69582 Ang OD2(22) at 6.69509 5.94641 -9.18029 in (null):D-9999 (3) and CE2(31) at 5.92271 3.37839 -8.90437 in (null):W-9999 (4) neighbor-bump: 2.05574 Ang OD2(22) at 6.69509 5.94641 -9.18029 in (null):D-9999 (3) and CD1(29) at 5.14447 5.27238 -8.01096 in (null):W-9999 (4) neighbor-bump: 2.62849 Ang OD2(22) at 6.69509 5.94641 -9.18029 in (null):D-9999 (3) and CG(28) at 5.88246 4.6864 -7.02136 in (null):W-9999 (4) neighbor-bump: 2.25798 Ang O(23) at 8.278 5.716 -5.611 in (null):D-9999 (3) and CB(27) at 6.08152 5.19263 -5.61721 in (null):W-9999 (4) neighbor-bump: 2.56465 Ang C(24) at 8.041 6.683 -6.336 in (null):D-9999 (3) and CB(27) at 6.08152 5.19263 -5.61721 in (null):W-9999 (4) Number of specific fragments= 1 total=1185 # 1gh2A.90.92 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 90 :VDWGDYLEV 1gh2A 94 :ADAVGLEEK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77803 Ang OD2(14) at 58.905 12.422 9.887 in (null):D-9999 (2) and CG(38) at 61.6201 12.4855 9.30272 in (null):D-9999 (5) Number of specific fragments= 1 total=1186 # 1yacA.90.90 read from T0136.t2k.frag # found chain 1yacA in template set T0136 90 :VDWGDYLEV 1yacA 91 :WDNEDFVKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72963 Ang NE1(25) at 44.3498 -33.8285 3.71763 in (null):W-9999 (3) and CB(37) at 42.583 -34.602 1.786 in (null):D-9999 (5) Number of specific fragments= 1 total=1187 # 1atg.90.91 read from T0136.t2k.frag # found chain 1atg in training set T0136 90 :VDWGDYLEV 1atg 93 :VDNQGKVLA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80954 Ang N(2) at -2.388 19.231 35.356 in (null):V-9999 (1) and CD2(60) at -2.25431 16.4369 35.6176 in (null):L-9999 (7) other bump:2.80624 Ang CA(3) at -0.973 18.906 35.248 in (null):V-9999 (1) and CD2(60) at -2.25431 16.4369 35.6176 in (null):L-9999 (7) other bump:1.18199 Ang O(0) at -2.921 17.226 36.192 in (null):G-9999 (0) and CD2(60) at -2.25431 16.4369 35.6176 in (null):L-9999 (7) other bump:2.18674 Ang C(1) at -3.263 18.362 35.859 in (null):G-9999 (0) and CD2(60) at -2.25431 16.4369 35.6176 in (null):L-9999 (7) other bump:2.42386 Ang O(0) at -2.921 17.226 36.192 in (null):G-9999 (0) and CG(58) at -2.08558 14.9629 35.9561 in (null):L-9999 (7) Number of specific fragments= 1 total=1188 # 1nulA.90.91 read from T0136.t2k.frag # found chain 1nulA in template set T0136 90 :VDWGDYLEV 1nulA 92 :DTGGTAVAI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11191 Ang OD2(14) at 6.69509 5.94641 -9.18029 in (null):D-9999 (2) and NE1(25) at 5.16361 4.49267 -9.14291 in (null):W-9999 (3) neighbor-bump: 2.69582 Ang OD2(14) at 6.69509 5.94641 -9.18029 in (null):D-9999 (2) and CE2(23) at 5.92271 3.37839 -8.90437 in (null):W-9999 (3) neighbor-bump: 2.05574 Ang OD2(14) at 6.69509 5.94641 -9.18029 in (null):D-9999 (2) and CD1(21) at 5.14447 5.27238 -8.01096 in (null):W-9999 (3) neighbor-bump: 2.62849 Ang OD2(14) at 6.69509 5.94641 -9.18029 in (null):D-9999 (2) and CG(20) at 5.88246 4.6864 -7.02136 in (null):W-9999 (3) neighbor-bump: 2.56465 Ang C(16) at 8.041 6.683 -6.336 in (null):D-9999 (2) and CB(19) at 6.08152 5.19263 -5.61721 in (null):W-9999 (3) neighbor-bump: 2.25798 Ang O(15) at 8.278 5.716 -5.611 in (null):D-9999 (2) and CB(19) at 6.08152 5.19263 -5.61721 in (null):W-9999 (3) Number of specific fragments= 1 total=1189 # 1np4A.90.98 read from T0136.t2k.frag # found chain 1np4A in template set T0136 90 :VDWGDYLEV 1np4A 99 :VTAGNYYTF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1190 # 1dw9A.90.91 read from T0136.t2k.frag # adding 1dw9A to template set 1dw9A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 199, because occupancy 0.3 <= existing 0.700001 Skipped atom 200, because occupancy 0.3 <= existing 0.700001 Skipped atom 201, because occupancy 0.3 <= existing 0.700001 Skipped atom 202, because occupancy 0.3 <= existing 0.700001 Skipped atom 219, because occupancy 0.4 <= existing 0.600001 Skipped atom 220, because occupancy 0.4 <= existing 0.600001 Skipped atom 221, because occupancy 0.4 <= existing 0.600001 Skipped atom 253, because occupancy 0.25 <= existing 0.750001 Skipped atom 254, because occupancy 0.25 <= existing 0.750001 Skipped atom 255, because occupancy 0.25 <= existing 0.750001 Skipped atom 256, because occupancy 0.25 <= existing 0.750001 Skipped atom 257, because occupancy 0.25 <= existing 0.750001 Skipped atom 279, because occupancy 0.3 <= existing 0.700001 Skipped atom 280, because occupancy 0.3 <= existing 0.700001 Skipped atom 281, because occupancy 0.3 <= existing 0.700001 Skipped atom 500, because occupancy 0.4 <= existing 0.600001 Skipped atom 501, because occupancy 0.4 <= existing 0.600001 Skipped atom 502, because occupancy 0.4 <= existing 0.600001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 599, because occupancy 0.3 <= existing 0.700001 Skipped atom 600, because occupancy 0.3 <= existing 0.700001 Skipped atom 601, because occupancy 0.3 <= existing 0.700001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 796, because occupancy 0.4 <= existing 0.600001 Skipped atom 797, because occupancy 0.4 <= existing 0.600001 Skipped atom 798, because occupancy 0.4 <= existing 0.600001 Skipped atom 1008, because occupancy 0.3 <= existing 0.400001 Skipped atom 1009, because occupancy 0.3 <= existing 0.400001 Skipped atom 1010, because occupancy 0.3 <= existing 0.400001 Skipped atom 1011, because occupancy 0.3 <= existing 0.400001 Skipped atom 1012, because occupancy 0.3 <= existing 0.400001 Skipped atom 1013, because occupancy 0.3 <= existing 0.400001 Skipped atom 1014, because occupancy 0.3 <= existing 0.400001 Skipped atom 1048, because occupancy 0.3 <= existing 0.700001 Skipped atom 1049, because occupancy 0.3 <= existing 0.700001 Skipped atom 1050, because occupancy 0.3 <= existing 0.700001 Skipped atom 1051, because occupancy 0.3 <= existing 0.700001 Skipped atom 1059, because occupancy 0.4 <= existing 0.600001 Skipped atom 1060, because occupancy 0.4 <= existing 0.600001 # found chain 1dw9A in template set T0136 90 :VDWGDYLEV 1dw9A 92 :PTMYRFYEM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1191 # 1dw9A.91.92 read from T0136.t2k.frag # found chain 1dw9A in template set T0136 91 :DWGDYLEVK 1dw9A 93 :TMYRFYEML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1192 # 1dwkA.91.92 read from T0136.t2k.frag # adding 1dwkA to template set 1dwkA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 199, because occupancy 0.3 <= existing 0.700001 Skipped atom 200, because occupancy 0.3 <= existing 0.700001 Skipped atom 217, because occupancy 0.4 <= existing 0.600001 Skipped atom 218, because occupancy 0.4 <= existing 0.600001 Skipped atom 219, because occupancy 0.4 <= existing 0.600001 Skipped atom 251, because occupancy 0.25 <= existing 0.750001 Skipped atom 252, because occupancy 0.25 <= existing 0.750001 Skipped atom 253, because occupancy 0.25 <= existing 0.750001 Skipped atom 254, because occupancy 0.25 <= existing 0.750001 Skipped atom 255, because occupancy 0.25 <= existing 0.750001 Skipped atom 277, because occupancy 0.3 <= existing 0.700001 Skipped atom 278, because occupancy 0.3 <= existing 0.700001 Skipped atom 279, because occupancy 0.3 <= existing 0.700001 Skipped atom 457, because occupancy 0.3 <= existing 0.700001 Skipped atom 458, because occupancy 0.3 <= existing 0.700001 Skipped atom 459, because occupancy 0.3 <= existing 0.700001 Skipped atom 460, because occupancy 0.3 <= existing 0.700001 Skipped atom 502, because occupancy 0.4 <= existing 0.600001 Skipped atom 503, because occupancy 0.4 <= existing 0.600001 Skipped atom 504, because occupancy 0.4 <= existing 0.600001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 601, because occupancy 0.3 <= existing 0.700001 Skipped atom 602, because occupancy 0.3 <= existing 0.700001 Skipped atom 603, because occupancy 0.3 <= existing 0.700001 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 798, because occupancy 0.4 <= existing 0.600001 Skipped atom 799, because occupancy 0.4 <= existing 0.600001 Skipped atom 800, because occupancy 0.4 <= existing 0.600001 Skipped atom 1043, because occupancy 0.3 <= existing 0.700001 Skipped atom 1044, because occupancy 0.3 <= existing 0.700001 Skipped atom 1045, because occupancy 0.3 <= existing 0.700001 Skipped atom 1046, because occupancy 0.3 <= existing 0.700001 Skipped atom 1054, because occupancy 0.4 <= existing 0.600001 Skipped atom 1055, because occupancy 0.4 <= existing 0.600001 # found chain 1dwkA in template set T0136 91 :DWGDYLEVK 1dwkA 93 :TMYRFYEML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1193 # 1gh2A.91.93 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 91 :DWGDYLEVK 1gh2A 95 :DAVGLEEKI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77803 Ang OD2(7) at 58.905 12.422 9.887 in (null):D-9999 (1) and CG(31) at 61.6201 12.4855 9.30272 in (null):D-9999 (4) Number of specific fragments= 1 total=1194 # 1yacA.91.91 read from T0136.t2k.frag # found chain 1yacA in template set T0136 91 :DWGDYLEVK 1yacA 92 :DNEDFVKAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72963 Ang NE1(18) at 44.3498 -33.8285 3.71763 in (null):W-9999 (2) and CB(30) at 42.583 -34.602 1.786 in (null):D-9999 (4) Number of specific fragments= 1 total=1195 # 1np4A.91.99 read from T0136.t2k.frag # found chain 1np4A in template set T0136 91 :DWGDYLEVK 1np4A 100 :TAGNYYTFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1196 # 1nulA.91.92 read from T0136.t2k.frag # found chain 1nulA in template set T0136 91 :DWGDYLEVK 1nulA 93 :TGGTAVAIR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.21407 Ang OD1(6) at 6.64012 6.09383 -8.74503 in (null):D-9999 (1) and NE1(18) at 5.16362 4.49267 -9.14291 in (null):W-9999 (2) neighbor-bump: 2.81313 Ang OD1(6) at 6.64012 6.09383 -8.74503 in (null):D-9999 (1) and CE2(16) at 5.92272 3.37838 -8.90437 in (null):W-9999 (2) neighbor-bump: 1.85758 Ang OD1(6) at 6.64012 6.09383 -8.74503 in (null):D-9999 (1) and CD1(14) at 5.14448 5.27237 -8.01095 in (null):W-9999 (2) neighbor-bump: 2.35073 Ang OD1(6) at 6.64012 6.09383 -8.74503 in (null):D-9999 (1) and CG(13) at 5.88246 4.6864 -7.02136 in (null):W-9999 (2) neighbor-bump: 2.56465 Ang C(9) at 8.041 6.683 -6.336 in (null):D-9999 (1) and CB(12) at 6.08153 5.19263 -5.6172 in (null):W-9999 (2) neighbor-bump: 2.25798 Ang O(8) at 8.278 5.716 -5.611 in (null):D-9999 (1) and CB(12) at 6.08153 5.19263 -5.6172 in (null):W-9999 (2) Number of specific fragments= 1 total=1197 # 1dw9A.92.93 read from T0136.t2k.frag # found chain 1dw9A in template set T0136 92 :WGDYLEVKA 1dw9A 94 :MYRFYEMLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1198 # 1dwkA.92.93 read from T0136.t2k.frag # found chain 1dwkA in template set T0136 92 :WGDYLEVKA 1dwkA 94 :MYRFYEMLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1199 # 1gh2A.92.94 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 92 :WGDYLEVKA 1gh2A 96 :AVGLEEKIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1200 # 5pal.92.95 read from T0136.t2k.frag # found chain 5pal in training set T0136 92 :WGDYLEVKA 5pal 96 :KIGADEFAK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55636 Ang CD2(33) at -17.8569 24.7146 6.38126 in (null):Y-9999 (4) and NZ(70) at -20.3313 25.1306 5.89184 in (null):K-9999 (8) other bump:1.49362 Ang CE2(35) at -19.1731 24.8487 6.79186 in (null):Y-9999 (4) and NZ(70) at -20.3313 25.1306 5.89184 in (null):K-9999 (8) other bump:2.39745 Ang CZ(36) at -19.5547 24.4659 8.06047 in (null):Y-9999 (4) and NZ(70) at -20.3313 25.1306 5.89184 in (null):K-9999 (8) other bump:2.74826 Ang CD2(33) at -17.8569 24.7146 6.38126 in (null):Y-9999 (4) and CE(69) at -20.4191 23.7244 6.46878 in (null):K-9999 (8) other bump:1.70909 Ang CE2(35) at -19.1731 24.8487 6.79186 in (null):Y-9999 (4) and CE(69) at -20.4191 23.7244 6.46878 in (null):K-9999 (8) other bump:1.95716 Ang CZ(36) at -19.5547 24.4659 8.06047 in (null):Y-9999 (4) and CE(69) at -20.4191 23.7244 6.46878 in (null):K-9999 (8) other bump:2.20662 Ang OH(37) at -20.8777 24.5702 8.45459 in (null):Y-9999 (4) and CE(69) at -20.4191 23.7244 6.46878 in (null):K-9999 (8) other bump:2.94674 Ang CE2(35) at -19.1731 24.8487 6.79186 in (null):Y-9999 (4) and CD(68) at -20.5964 22.7564 5.28188 in (null):K-9999 (8) other bump:2.64891 Ang CZ3(12) at -8.8608 22.2546 5.56445 in (null):W-9999 (1) and CB(22) at -11.2092 22.2794 4.33931 in (null):D-9999 (3) other bump:2.94415 Ang CH2(13) at -8.39246 23.1122 4.53999 in (null):W-9999 (1) and CB(22) at -11.2092 22.2794 4.33931 in (null):D-9999 (3) other bump:2.94369 Ang CZ3(12) at -8.8608 22.2546 5.56445 in (null):W-9999 (1) and CA(21) at -11.651 21.333 5.389 in (null):D-9999 (3) other bump:3.22012 Ang CZ3(12) at -8.8608 22.2546 5.56445 in (null):W-9999 (1) and N(20) at -11.128 19.996 5.207 in (null):D-9999 (3) neighbor-bump: 3.22905 Ang CE3(9) at -8.1277 21.1312 5.96513 in (null):W-9999 (1) and C(19) at -10.745 19.259 6.232 in (null):G-9999 (2) Number of specific fragments= 1 total=1201 # 1bh5A.92.93 read from T0136.t2k.frag # adding 1bh5A to template set 1bh5A:Skipped atom 1406, because occupancy 1 <= existing 1 # found chain 1bh5A in template set T0136 92 :WGDYLEVKA 1bh5A 94 :RKATLELTH Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.988115 Ang CB(4) at 10.5717 20.184 126.509 in (null):W-9999 (1) and OH(37) at 10.4986 20.691 127.354 in (null):Y-9999 (4) other bump:0.811572 Ang CG(5) at 10.5716 21.489 127.225 in (null):W-9999 (1) and OH(37) at 10.4986 20.691 127.354 in (null):Y-9999 (4) other bump:1.82875 Ang CD2(7) at 9.42874 22.0818 127.869 in (null):W-9999 (1) and OH(37) at 10.4986 20.691 127.354 in (null):Y-9999 (4) other bump:2.89754 Ang CE2(8) at 9.83948 23.3082 128.408 in (null):W-9999 (1) and OH(37) at 10.4986 20.691 127.354 in (null):Y-9999 (4) other bump:2.67784 Ang CE3(9) at 8.10113 21.6748 128.028 in (null):W-9999 (1) and OH(37) at 10.4986 20.691 127.354 in (null):Y-9999 (4) other bump:2.1443 Ang CA(3) at 11.959 19.656 126.173 in (null):W-9999 (1) and OH(37) at 10.4986 20.691 127.354 in (null):Y-9999 (4) other bump:2.01339 Ang CD1(6) at 11.6009 22.3753 127.394 in (null):W-9999 (1) and OH(37) at 10.4986 20.691 127.354 in (null):Y-9999 (4) other bump:0.883354 Ang CB(4) at 10.5717 20.184 126.509 in (null):W-9999 (1) and CZ(36) at 9.70255 20.0467 126.43 in (null):Y-9999 (4) other bump:1.86206 Ang CG(5) at 10.5716 21.489 127.225 in (null):W-9999 (1) and CZ(36) at 9.70255 20.0467 126.43 in (null):Y-9999 (4) other bump:2.50705 Ang CD2(7) at 9.42874 22.0818 127.869 in (null):W-9999 (1) and CZ(36) at 9.70255 20.0467 126.43 in (null):Y-9999 (4) other bump:2.78717 Ang CE3(9) at 8.10113 21.6748 128.028 in (null):W-9999 (1) and CZ(36) at 9.70255 20.0467 126.43 in (null):Y-9999 (4) other bump:2.30445 Ang CA(3) at 11.959 19.656 126.173 in (null):W-9999 (1) and CZ(36) at 9.70255 20.0467 126.43 in (null):Y-9999 (4) other bump:2.86937 Ang C(15) at 11.795 18.179 125.825 in (null):W-9999 (1) and CZ(36) at 9.70255 20.0467 126.43 in (null):Y-9999 (4) other bump:2.16168 Ang CB(4) at 10.5717 20.184 126.509 in (null):W-9999 (1) and CE2(35) at 8.50509 20.6023 126.032 in (null):Y-9999 (4) other bump:2.54568 Ang CG(5) at 10.5716 21.489 127.225 in (null):W-9999 (1) and CE2(35) at 8.50509 20.6023 126.032 in (null):Y-9999 (4) other bump:2.53284 Ang CD2(7) at 9.42874 22.0818 127.869 in (null):W-9999 (1) and CE2(35) at 8.50509 20.6023 126.032 in (null):Y-9999 (4) other bump:2.30177 Ang CE3(9) at 8.10113 21.6748 128.028 in (null):W-9999 (1) and CE2(35) at 8.50509 20.6023 126.032 in (null):Y-9999 (4) other bump:1.53085 Ang CB(4) at 10.5717 20.184 126.509 in (null):W-9999 (1) and CE1(34) at 10.1323 18.8419 125.918 in (null):Y-9999 (4) other bump:1.97667 Ang O(14) at 11.366 17.901 124.693 in (null):W-9999 (1) and CE1(34) at 10.1323 18.8419 125.918 in (null):Y-9999 (4) other bump:2.01614 Ang CA(3) at 11.959 19.656 126.173 in (null):W-9999 (1) and CE1(34) at 10.1323 18.8419 125.918 in (null):Y-9999 (4) other bump:1.79237 Ang C(15) at 11.795 18.179 125.825 in (null):W-9999 (1) and CE1(34) at 10.1323 18.8419 125.918 in (null):Y-9999 (4) other bump:2.66499 Ang N(16) at 12.126 17.27 126.728 in (null):G-9999 (2) and CE1(34) at 10.1323 18.8419 125.918 in (null):Y-9999 (4) other bump:2.79886 Ang CB(4) at 10.5717 20.184 126.509 in (null):W-9999 (1) and CD1(32) at 9.34552 18.1783 124.99 in (null):Y-9999 (4) other bump:2.06088 Ang O(14) at 11.366 17.901 124.693 in (null):W-9999 (1) and CD1(32) at 9.34552 18.1783 124.99 in (null):Y-9999 (4) other bump:2.588 Ang C(15) at 11.795 18.179 125.825 in (null):W-9999 (1) and CD1(32) at 9.34552 18.1783 124.99 in (null):Y-9999 (4) Number of specific fragments= 1 total=1202 # 1prtA.92.99 read from T0136.t2k.frag # adding 1prtA to template set 1prtA:# found chain 1prtA in template set T0136 92 :WGDYLEVKA 1prtA 101 :ASSYFEYVD Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89756 Ang CD1(32) at 3.191 39.808 -16.866 in (null):Y-9999 (4) and NZ(70) at 2.8726 38.7504 -14.1872 in (null):K-9999 (8) other bump:1.60423 Ang CE1(34) at 2.651 39.165 -15.721 in (null):Y-9999 (4) and NZ(70) at 2.8726 38.7504 -14.1872 in (null):K-9999 (8) other bump:2.38005 Ang CE2(35) at 4.73 37.976 -15.458 in (null):Y-9999 (4) and NZ(70) at 2.8726 38.7504 -14.1872 in (null):K-9999 (8) other bump:1.1278 Ang CZ(36) at 3.436 38.238 -15.019 in (null):Y-9999 (4) and NZ(70) at 2.8726 38.7504 -14.1872 in (null):K-9999 (8) other bump:1.2532 Ang OH(37) at 2.966 37.533 -13.905 in (null):Y-9999 (4) and NZ(70) at 2.8726 38.7504 -14.1872 in (null):K-9999 (8) other bump:2.82793 Ang CE2(35) at 4.73 37.976 -15.458 in (null):Y-9999 (4) and CE(69) at 3.54866 38.4402 -12.9309 in (null):K-9999 (8) other bump:2.10087 Ang CZ(36) at 3.436 38.238 -15.019 in (null):Y-9999 (4) and CE(69) at 3.54866 38.4402 -12.9309 in (null):K-9999 (8) other bump:1.45303 Ang OH(37) at 2.966 37.533 -13.905 in (null):Y-9999 (4) and CE(69) at 3.54866 38.4402 -12.9309 in (null):K-9999 (8) other bump:2.91272 Ang CE2(35) at 4.73 37.976 -15.458 in (null):Y-9999 (4) and CD(68) at 4.88251 39.1605 -12.8014 in (null):K-9999 (8) other bump:2.80379 Ang CZ(36) at 3.436 38.238 -15.019 in (null):Y-9999 (4) and CD(68) at 4.88251 39.1605 -12.8014 in (null):K-9999 (8) other bump:2.74587 Ang OH(37) at 2.966 37.533 -13.905 in (null):Y-9999 (4) and CD(68) at 4.88251 39.1605 -12.8014 in (null):K-9999 (8) other bump:3.03914 Ang CG(5) at 8.95292 37.1068 -20.3929 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:2.36018 Ang NE1(10) at 8.9611 36.3094 -18.2862 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:2.18445 Ang CD2(7) at 10.2598 37.2976 -19.8311 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:2.7677 Ang CE3(9) at 11.456 37.8498 -20.3078 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:2.87735 Ang CZ3(12) at 12.5654 37.8785 -19.4659 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:1.61743 Ang CE2(8) at 10.2246 36.7881 -18.5089 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:1.8661 Ang CZ2(11) at 11.3388 36.8172 -17.6637 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:2.48912 Ang CH2(13) at 12.4969 37.3649 -18.1579 in (null):W-9999 (1) and CD2(45) at 10.198 38.278 -17.88 in (null):L-9999 (5) other bump:2.78643 Ang NE1(10) at 8.9611 36.3094 -18.2862 in (null):W-9999 (1) and CD1(44) at 8.626 37.986 -16.086 in (null):L-9999 (5) other bump:2.96726 Ang NE1(10) at 8.9611 36.3094 -18.2862 in (null):W-9999 (1) and CG(43) at 9.523 38.801 -16.776 in (null):L-9999 (5) other bump:2.74717 Ang CE2(8) at 10.2246 36.7881 -18.5089 in (null):W-9999 (1) and CG(43) at 9.523 38.801 -16.776 in (null):L-9999 (5) other bump:2.83209 Ang CZ2(11) at 11.3388 36.8172 -17.6637 in (null):W-9999 (1) and CG(43) at 9.523 38.801 -16.776 in (null):L-9999 (5) Number of specific fragments= 1 total=1203 # 1dw9A.93.94 read from T0136.t2k.frag # found chain 1dw9A in template set T0136 93 :GDYLEVKAG 1dw9A 95 :YRFYEMLQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1204 # 1dwkA.93.94 read from T0136.t2k.frag # found chain 1dwkA in template set T0136 93 :GDYLEVKAG 1dwkA 95 :YRFYEMLQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1205 # 5pal.93.96 read from T0136.t2k.frag # found chain 5pal in training set T0136 93 :GDYLEVKAG 5pal 97 :IGADEFAKM Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.49362 Ang CE2(21) at -19.1731 24.8487 6.79186 in (null):Y-9999 (3) and NZ(56) at -20.3313 25.1306 5.89184 in (null):K-9999 (7) other bump:2.39745 Ang CZ(22) at -19.5547 24.4659 8.06047 in (null):Y-9999 (3) and NZ(56) at -20.3313 25.1306 5.89184 in (null):K-9999 (7) other bump:2.55636 Ang CD2(19) at -17.8569 24.7146 6.38126 in (null):Y-9999 (3) and NZ(56) at -20.3313 25.1306 5.89184 in (null):K-9999 (7) other bump:1.70909 Ang CE2(21) at -19.1731 24.8487 6.79186 in (null):Y-9999 (3) and CE(55) at -20.4191 23.7244 6.46878 in (null):K-9999 (7) other bump:1.95716 Ang CZ(22) at -19.5547 24.4659 8.06047 in (null):Y-9999 (3) and CE(55) at -20.4191 23.7244 6.46878 in (null):K-9999 (7) other bump:2.20662 Ang OH(23) at -20.8777 24.5702 8.45459 in (null):Y-9999 (3) and CE(55) at -20.4191 23.7244 6.46878 in (null):K-9999 (7) other bump:2.74826 Ang CD2(19) at -17.8569 24.7146 6.38126 in (null):Y-9999 (3) and CE(55) at -20.4191 23.7244 6.46878 in (null):K-9999 (7) other bump:2.94674 Ang CE2(21) at -19.1731 24.8487 6.79186 in (null):Y-9999 (3) and CD(54) at -20.5964 22.7564 5.28188 in (null):K-9999 (7) Number of specific fragments= 1 total=1206 # 1gh2A.93.95 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 93 :GDYLEVKAG 1gh2A 97 :VGLEEKIKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1207 # 1prtA.93.100 read from T0136.t2k.frag # found chain 1prtA in template set T0136 93 :GDYLEVKAG 1prtA 102 :SSYFEYVDT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89756 Ang CD1(18) at 3.191 39.808 -16.866 in (null):Y-9999 (3) and NZ(56) at 2.8726 38.7504 -14.1872 in (null):K-9999 (7) other bump:1.60423 Ang CE1(20) at 2.651 39.165 -15.721 in (null):Y-9999 (3) and NZ(56) at 2.8726 38.7504 -14.1872 in (null):K-9999 (7) other bump:2.38005 Ang CE2(21) at 4.73 37.976 -15.458 in (null):Y-9999 (3) and NZ(56) at 2.8726 38.7504 -14.1872 in (null):K-9999 (7) other bump:1.1278 Ang CZ(22) at 3.436 38.238 -15.019 in (null):Y-9999 (3) and NZ(56) at 2.8726 38.7504 -14.1872 in (null):K-9999 (7) other bump:1.2532 Ang OH(23) at 2.966 37.533 -13.905 in (null):Y-9999 (3) and NZ(56) at 2.8726 38.7504 -14.1872 in (null):K-9999 (7) other bump:2.82793 Ang CE2(21) at 4.73 37.976 -15.458 in (null):Y-9999 (3) and CE(55) at 3.54866 38.4402 -12.9309 in (null):K-9999 (7) other bump:2.10087 Ang CZ(22) at 3.436 38.238 -15.019 in (null):Y-9999 (3) and CE(55) at 3.54866 38.4402 -12.9309 in (null):K-9999 (7) other bump:1.45303 Ang OH(23) at 2.966 37.533 -13.905 in (null):Y-9999 (3) and CE(55) at 3.54866 38.4402 -12.9309 in (null):K-9999 (7) other bump:2.91272 Ang CE2(21) at 4.73 37.976 -15.458 in (null):Y-9999 (3) and CD(54) at 4.88251 39.1605 -12.8014 in (null):K-9999 (7) other bump:2.80379 Ang CZ(22) at 3.436 38.238 -15.019 in (null):Y-9999 (3) and CD(54) at 4.88251 39.1605 -12.8014 in (null):K-9999 (7) other bump:2.74587 Ang OH(23) at 2.966 37.533 -13.905 in (null):Y-9999 (3) and CD(54) at 4.88251 39.1605 -12.8014 in (null):K-9999 (7) Number of specific fragments= 1 total=1208 # 1bh5A.93.94 read from T0136.t2k.frag # found chain 1bh5A in template set T0136 93 :GDYLEVKAG 1bh5A 95 :KATLELTHN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86937 Ang C(1) at 11.795 18.179 125.825 in (null):G-9999 (0) and CZ(22) at 9.70255 20.0467 126.43 in (null):Y-9999 (3) other bump:1.97667 Ang O(0) at 11.366 17.901 124.693 in (null):G-9999 (0) and CE1(20) at 10.1323 18.8419 125.918 in (null):Y-9999 (3) other bump:1.79237 Ang C(1) at 11.795 18.179 125.825 in (null):G-9999 (0) and CE1(20) at 10.1323 18.8419 125.918 in (null):Y-9999 (3) other bump:2.66499 Ang N(2) at 12.126 17.27 126.728 in (null):G-9999 (1) and CE1(20) at 10.1323 18.8419 125.918 in (null):Y-9999 (3) other bump:2.06088 Ang O(0) at 11.366 17.901 124.693 in (null):G-9999 (0) and CD1(18) at 9.34552 18.1783 124.99 in (null):Y-9999 (3) other bump:2.588 Ang C(1) at 11.795 18.179 125.825 in (null):G-9999 (0) and CD1(18) at 9.34552 18.1783 124.99 in (null):Y-9999 (3) Number of specific fragments= 1 total=1209 # 1dw9A.94.95 read from T0136.t2k.frag # found chain 1dw9A in template set T0136 94 :DYLEVKAGY 1dw9A 96 :RFYEMLQVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1210 # 1dwkA.94.95 read from T0136.t2k.frag # found chain 1dwkA in template set T0136 94 :DYLEVKAGY 1dwkA 96 :RFYEMLQVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1211 # 5pal.94.97 read from T0136.t2k.frag # found chain 5pal in training set T0136 94 :DYLEVKAGY 5pal 98 :GADEFAKMV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.49362 Ang CE2(17) at -19.1731 24.8487 6.79186 in (null):Y-9999 (2) and NZ(52) at -20.3313 25.1306 5.89184 in (null):K-9999 (6) other bump:2.39745 Ang CZ(18) at -19.5547 24.4659 8.06047 in (null):Y-9999 (2) and NZ(52) at -20.3313 25.1306 5.89184 in (null):K-9999 (6) other bump:2.55636 Ang CD2(15) at -17.8569 24.7146 6.38126 in (null):Y-9999 (2) and NZ(52) at -20.3313 25.1306 5.89184 in (null):K-9999 (6) other bump:1.70909 Ang CE2(17) at -19.1731 24.8487 6.79186 in (null):Y-9999 (2) and CE(51) at -20.4191 23.7244 6.46878 in (null):K-9999 (6) other bump:1.95716 Ang CZ(18) at -19.5547 24.4659 8.06047 in (null):Y-9999 (2) and CE(51) at -20.4191 23.7244 6.46878 in (null):K-9999 (6) other bump:2.20662 Ang OH(19) at -20.8777 24.5702 8.45459 in (null):Y-9999 (2) and CE(51) at -20.4191 23.7244 6.46878 in (null):K-9999 (6) other bump:2.74826 Ang CD2(15) at -17.8569 24.7146 6.38126 in (null):Y-9999 (2) and CE(51) at -20.4191 23.7244 6.46878 in (null):K-9999 (6) other bump:2.94674 Ang CE2(17) at -19.1731 24.8487 6.79186 in (null):Y-9999 (2) and CD(50) at -20.5964 22.7564 5.28188 in (null):K-9999 (6) other bump:2.69273 Ang OD2(7) at -12.7058 21.1644 2.73565 in (null):D-9999 (1) and CG(33) at -12.883 18.789 1.48 in (null):E-9999 (4) Number of specific fragments= 1 total=1212 # 1gh2A.94.96 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 94 :DYLEVKAGY 1gh2A 98 :GLEEKIKQH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57743 Ang O(44) at 69.062 19.558 7.095 in (null):V-9999 (5) and CD1(68) at 70.3932 19.7617 4.89739 in (null):Y-9999 (9) Number of specific fragments= 1 total=1213 # 1prtA.94.101 read from T0136.t2k.frag # found chain 1prtA in template set T0136 94 :DYLEVKAGY 1prtA 103 :SYFEYVDTY Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89756 Ang CD1(14) at 3.191 39.808 -16.866 in (null):Y-9999 (2) and NZ(52) at 2.8726 38.7504 -14.1872 in (null):K-9999 (6) other bump:1.60423 Ang CE1(16) at 2.651 39.165 -15.721 in (null):Y-9999 (2) and NZ(52) at 2.8726 38.7504 -14.1872 in (null):K-9999 (6) other bump:2.38005 Ang CE2(17) at 4.73 37.976 -15.458 in (null):Y-9999 (2) and NZ(52) at 2.8726 38.7504 -14.1872 in (null):K-9999 (6) other bump:1.1278 Ang CZ(18) at 3.436 38.238 -15.019 in (null):Y-9999 (2) and NZ(52) at 2.8726 38.7504 -14.1872 in (null):K-9999 (6) other bump:1.2532 Ang OH(19) at 2.966 37.533 -13.905 in (null):Y-9999 (2) and NZ(52) at 2.8726 38.7504 -14.1872 in (null):K-9999 (6) other bump:2.82793 Ang CE2(17) at 4.73 37.976 -15.458 in (null):Y-9999 (2) and CE(51) at 3.54866 38.4402 -12.9309 in (null):K-9999 (6) other bump:2.10087 Ang CZ(18) at 3.436 38.238 -15.019 in (null):Y-9999 (2) and CE(51) at 3.54866 38.4402 -12.9309 in (null):K-9999 (6) other bump:1.45303 Ang OH(19) at 2.966 37.533 -13.905 in (null):Y-9999 (2) and CE(51) at 3.54866 38.4402 -12.9309 in (null):K-9999 (6) other bump:2.91272 Ang CE2(17) at 4.73 37.976 -15.458 in (null):Y-9999 (2) and CD(50) at 4.88251 39.1605 -12.8014 in (null):K-9999 (6) other bump:2.80379 Ang CZ(18) at 3.436 38.238 -15.019 in (null):Y-9999 (2) and CD(50) at 4.88251 39.1605 -12.8014 in (null):K-9999 (6) other bump:2.74587 Ang OH(19) at 2.966 37.533 -13.905 in (null):Y-9999 (2) and CD(50) at 4.88251 39.1605 -12.8014 in (null):K-9999 (6) Number of specific fragments= 1 total=1214 # 1be3F.94.98 read from T0136.t2k.frag # adding 1be3F to template set 1be3F:# found chain 1be3F in template set T0136 94 :DYLEVKAGY 1be3F 99 :RERKEREEW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1215 # 1dw9A.95.96 read from T0136.t2k.frag # found chain 1dw9A in template set T0136 95 :YLEVKAGYA 1dw9A 97 :FYEMLQVYG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56957 Ang O(45) at -20.312 19.248 25.623 in (null):K-9999 (5) and CB(70) at -20.9071 20.4929 23.4554 in (null):A-9999 (9) other bump:2.73802 Ang CD(42) at -18.23 20.0925 23.0437 in (null):K-9999 (5) and CB(70) at -20.9071 20.4929 23.4554 in (null):A-9999 (9) Number of specific fragments= 1 total=1216 # 1dwkA.95.96 read from T0136.t2k.frag # found chain 1dwkA in template set T0136 95 :YLEVKAGYA 1dwkA 97 :FYEMLQVYG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54388 Ang O(45) at -20.354 19.288 25.602 in (null):K-9999 (5) and CB(70) at -20.9171 20.4798 23.4263 in (null):A-9999 (9) Number of specific fragments= 1 total=1217 # 1be3F.95.99 read from T0136.t2k.frag # found chain 1be3F in template set T0136 95 :YLEVKAGYA 1be3F 100 :ERKEREEWA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1218 # 5pal.95.98 read from T0136.t2k.frag # found chain 5pal in training set T0136 95 :YLEVKAGYA 5pal 99 :ADEFAKMVA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.33939 Ang CE1(8) at -19.1682 24.6322 6.33089 in (null):Y-9999 (1) and NZ(44) at -20.3313 25.1306 5.89184 in (null):K-9999 (5) other bump:1.96851 Ang CZ(10) at -19.6036 24.6427 7.65462 in (null):Y-9999 (1) and NZ(44) at -20.3313 25.1306 5.89184 in (null):K-9999 (5) other bump:2.15631 Ang OH(11) at -20.9502 24.7984 7.93051 in (null):Y-9999 (1) and NZ(44) at -20.3313 25.1306 5.89184 in (null):K-9999 (5) other bump:2.59436 Ang CD1(6) at -17.828 24.4745 6.07633 in (null):Y-9999 (1) and NZ(44) at -20.3313 25.1306 5.89184 in (null):K-9999 (5) other bump:1.55179 Ang CE1(8) at -19.1682 24.6322 6.33089 in (null):Y-9999 (1) and CE(43) at -20.4191 23.7244 6.46878 in (null):K-9999 (5) other bump:1.70722 Ang CZ(10) at -19.6036 24.6427 7.65462 in (null):Y-9999 (1) and CE(43) at -20.4191 23.7244 6.46878 in (null):K-9999 (5) other bump:1.89006 Ang OH(11) at -20.9502 24.7984 7.93051 in (null):Y-9999 (1) and CE(43) at -20.4191 23.7244 6.46878 in (null):K-9999 (5) other bump:2.72584 Ang CD1(6) at -17.828 24.4745 6.07633 in (null):Y-9999 (1) and CE(43) at -20.4191 23.7244 6.46878 in (null):K-9999 (5) Number of specific fragments= 1 total=1219 # 1gh2A.95.97 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 95 :YLEVKAGYA 1gh2A 99 :LEEKIKQHL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57743 Ang O(36) at 69.062 19.558 7.095 in (null):V-9999 (4) and CD1(60) at 70.3932 19.7617 4.89739 in (null):Y-9999 (8) Number of specific fragments= 1 total=1220 # 1prtA.95.102 read from T0136.t2k.frag # found chain 1prtA in template set T0136 95 :YLEVKAGYA 1prtA 104 :YFEYVDTYG Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33262 Ang CB(70) at 6.05419 43.0844 -6.26652 in (null):A-9999 (9) and N(73) at 5.067 41.246 -7.309 in (null):G-9999 (10) self-bump: 2.20276 Ang CB(70) at 6.05419 43.0844 -6.26652 in (null):A-9999 (9) and C(72) at 4.509 42.385 -7.672 in (null):A-9999 (9) self-bump: 1.32357 Ang CA(69) at 5.279 43.606 -7.204 in (null):A-9999 (9) and CB(70) at 6.05419 43.0844 -6.26652 in (null):A-9999 (9) other bump:2.89756 Ang CD1(6) at 3.191 39.808 -16.866 in (null):Y-9999 (1) and NZ(44) at 2.8726 38.7504 -14.1872 in (null):K-9999 (5) other bump:1.60423 Ang CE1(8) at 2.651 39.165 -15.721 in (null):Y-9999 (1) and NZ(44) at 2.8726 38.7504 -14.1872 in (null):K-9999 (5) other bump:2.38005 Ang CE2(9) at 4.73 37.976 -15.458 in (null):Y-9999 (1) and NZ(44) at 2.8726 38.7504 -14.1872 in (null):K-9999 (5) other bump:1.1278 Ang CZ(10) at 3.436 38.238 -15.019 in (null):Y-9999 (1) and NZ(44) at 2.8726 38.7504 -14.1872 in (null):K-9999 (5) other bump:1.2532 Ang OH(11) at 2.966 37.533 -13.905 in (null):Y-9999 (1) and NZ(44) at 2.8726 38.7504 -14.1872 in (null):K-9999 (5) other bump:2.82793 Ang CE2(9) at 4.73 37.976 -15.458 in (null):Y-9999 (1) and CE(43) at 3.54866 38.4402 -12.9309 in (null):K-9999 (5) other bump:2.10087 Ang CZ(10) at 3.436 38.238 -15.019 in (null):Y-9999 (1) and CE(43) at 3.54866 38.4402 -12.9309 in (null):K-9999 (5) other bump:1.45303 Ang OH(11) at 2.966 37.533 -13.905 in (null):Y-9999 (1) and CE(43) at 3.54866 38.4402 -12.9309 in (null):K-9999 (5) other bump:2.91272 Ang CE2(9) at 4.73 37.976 -15.458 in (null):Y-9999 (1) and CD(42) at 4.88251 39.1605 -12.8014 in (null):K-9999 (5) other bump:2.80379 Ang CZ(10) at 3.436 38.238 -15.019 in (null):Y-9999 (1) and CD(42) at 4.88251 39.1605 -12.8014 in (null):K-9999 (5) other bump:2.74587 Ang OH(11) at 2.966 37.533 -13.905 in (null):Y-9999 (1) and CD(42) at 4.88251 39.1605 -12.8014 in (null):K-9999 (5) Number of specific fragments= 1 total=1221 # 1be3F.96.100 read from T0136.t2k.frag # found chain 1be3F in template set T0136 96 :LEVKAGYAT 1be3F 101 :RKEREEWAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1222 # 1dw9A.96.97 read from T0136.t2k.frag # found chain 1dw9A in template set T0136 96 :LEVKAGYAT 1dw9A 98 :YEMLQVYGT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73802 Ang CD(30) at -18.23 20.0925 23.0437 in (null):K-9999 (4) and CB(58) at -20.9071 20.4929 23.4554 in (null):A-9999 (8) other bump:2.56957 Ang O(33) at -20.312 19.248 25.623 in (null):K-9999 (4) and CB(58) at -20.9071 20.4929 23.4554 in (null):A-9999 (8) Number of specific fragments= 1 total=1223 # 1dwkA.96.97 read from T0136.t2k.frag # found chain 1dwkA in template set T0136 96 :LEVKAGYAT 1dwkA 98 :YEMLQVYGT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54388 Ang O(33) at -20.354 19.288 25.602 in (null):K-9999 (4) and CB(58) at -20.9171 20.4798 23.4263 in (null):A-9999 (8) Number of specific fragments= 1 total=1224 # 5pal.96.99 read from T0136.t2k.frag # found chain 5pal in training set T0136 96 :LEVKAGYAT 5pal 100 :DEFAKMVAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1225 # 1gh2A.96.98 read from T0136.t2k.frag # found chain 1gh2A in template set T0136 96 :LEVKAGYA 1gh2A 100 :EEKIKQHL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.57743 Ang O(24) at 69.062 19.558 7.095 in (null):V-9999 (3) and CD1(48) at 70.3932 19.7617 4.89739 in (null):Y-9999 (7) Number of specific fragments= 1 total=1226 # 1prtA.96.103 read from T0136.t2k.frag # found chain 1prtA in template set T0136 96 :LEVKAGYAT 1prtA 105 :FEYVDTYGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33262 Ang CB(58) at 6.05418 43.0844 -6.26652 in (null):A-9999 (8) and N(61) at 5.067 41.246 -7.309 in (null):T-9999 (9) self-bump: 2.20276 Ang CB(58) at 6.05418 43.0844 -6.26652 in (null):A-9999 (8) and C(60) at 4.509 42.385 -7.672 in (null):A-9999 (8) self-bump: 1.32356 Ang CA(57) at 5.279 43.606 -7.204 in (null):A-9999 (8) and CB(58) at 6.05418 43.0844 -6.26652 in (null):A-9999 (8) Number of specific fragments= 1 total=1227 # command:# Prefix for output files set to # command:Error: unrecognized command PrintemplateAtoms skipped # command:# Prefix for output files set to decoys/ # command:CPU_time= 242750 msec, elapsed time= 288060 msec) # command:# Setting InsertAlignment to 0.1 # Setting ClashingRotamer to 0.5 # Setting InsertFragment to 8 # Setting CrossAndInsert to 1 # Setting TwoFragment to 1 # Setting InsertSpecificFragment to 5 # Setting ReduceBreak to 2 # Setting CloseGap to 0.1 # Setting ReduceClash to 1 # Setting JiggleSubtree to 0.03 # Setting OptSubtree to 0.03 # Setting InsertSSBond to 0 # Initial Method pseudocounts set to # InsertAlignment 0.1 # InsertSpecificFragment 5 # InsertFragment 8 # TwoFragment 1 # CrossOver 0.05 # CrossAndInsert 1 # ReduceClash 1 # OneRotamer 0 # ClashingRotamer 0.5 # ReduceBreak 2 # CloseGap 0.1 # JiggleSubtree 0.03 # OptSubtree 0.03 # ReduceConstraint 0.2 # InsertSSBond 0 # ImproveSSBond 0.2 # command:# naming current conformation T0136.try1 # command:# OptConform to optimize cost = # ( 0.2 * gen6.5(6.5) + 0.5 * wet6.5(6.5, /log(length)) + 2 * dry5(5) + 9 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.1 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 20 * break + 2 * pred_alpha2 + 0.03 * constraints + 0.3 * contact_order ) # Will do 15 iterations of optimization # iteration 0 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 73.3281 cost/residue, 166 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 21 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.3852 cost/residue, 148 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 44 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.2462 cost/residue, 177 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 59 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.2462 cost/residue, 177 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 75 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # jumping subtree containing T0136:V 211 (0) jump= -0.0965407 -0.744767 0.660126 -0.0153616 -4.88437 -12.5029 7.14076 # generation 5: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.0669 cost/residue, 178 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 91 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # generation 6: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.0339 cost/residue, 177 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 104 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.0339 cost/residue, 177 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 123 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 14 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break before 98 # generation 8: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.8249 cost/residue, 155 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 138 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 15 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # generation 9: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.5269 cost/residue, 218 clashes 0.000185035 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 155 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 17 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # generation 10: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.1523 cost/residue, 181 clashes 0.000185035 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 174 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 18 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # generation 11: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.1523 cost/residue, 181 clashes 0.000185035 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 189 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 20 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 99 # generation 12: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.1523 cost/residue, 181 clashes 0.000185035 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 206 ## TwoFragment 5 ## CrossOver 6 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # generation 13: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.0526 cost/residue, 288 clashes 0.0305925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 221 ## TwoFragment 5 ## CrossOver 8 ## CrossAndInsert 21 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 12 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 2 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # jumping subtree containing T0136:V 211 (0) jump= -0.950645 0.272154 0.117857 0.0911966 -18.0784 -1.37929 -25.1367 # generation 14: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.5775 cost/residue, 221 clashes 0.0305925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 232 ## TwoFragment 5 ## CrossOver 11 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 12 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 4 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break before 98 # generation 15: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.5775 cost/residue, 221 clashes 0.0305925 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 243 ## TwoFragment 5 ## CrossOver 14 ## CrossAndInsert 23 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 4 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.2458 cost/residue, 203 clashes 0.0207572 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 255 ## TwoFragment 5 ## CrossOver 16 ## CrossAndInsert 23 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 5 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break before 98 # Removing break before 98 # generation 17: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.2458 cost/residue, 203 clashes 0.0207572 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 265 ## TwoFragment 5 ## CrossOver 16 ## CrossAndInsert 23 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 6 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.7299 cost/residue, 214 clashes 0.00602175 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 274 ## TwoFragment 5 ## CrossOver 17 ## CrossAndInsert 24 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 8 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # Removing break before 95 # Removing break before 95 # Removing break before 95 # generation 19: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.7287 cost/residue, 214 clashes 0.00617304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 280 ## TwoFragment 5 ## CrossOver 19 ## CrossAndInsert 26 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 12 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # Removing break before 95 # Removing break before 99 # Removing break before 95 # jumping subtree containing T0136:K 287 (76) jump= -0.976985 0.001316 0.212208 0.0215992 -10.6748 19.9381 1.66887 # Removing break before 95 # generation 20: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.7287 cost/residue, 214 clashes 0.00617304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 289 ## TwoFragment 5 ## CrossOver 19 ## CrossAndInsert 26 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 17 ## OptSubtree 29 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # jumping subtree containing T0136:V 211 (0) jump= 0.72689 -0.328235 -0.434801 -0.418141 0.743855 2.08206 5.72588 # Removing break before 95 # Removing break before 95 # Removing break before 95 # generation 21: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.451 cost/residue, 198 clashes 0.0177692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 299 ## TwoFragment 5 ## CrossOver 21 ## CrossAndInsert 26 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 20 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 87 # Removing break before 95 # Removing break before 99 # Removing break before 99 # Removing break before 95 # Removing break before 95 # Removing break before 95 # Removing break before 95 # generation 22: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.451 cost/residue, 198 clashes 0.0177692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 302 ## TwoFragment 5 ## CrossOver 23 ## CrossAndInsert 27 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 43 ## JiggleSubtree 25 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # Removing break before 95 # Removing break before 95 # Removing break before 95 # Removing break before 95 # generation 23: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.451 cost/residue, 198 clashes 0.0177692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 312 ## TwoFragment 5 ## CrossOver 24 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 48 ## JiggleSubtree 28 ## OptSubtree 42 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 310 (99) jump= -0.524449 0.78613 0.234281 0.228178 -0.37493 5.96094 -20.5624 # Removing break before 95 # Removing break before 99 # Removing break before 95 # Removing break before 99 # Removing break before 95 # Removing break before 95 # Removing break before 99 # Removing break before 95 # Removing break before 95 # generation 24: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.451 cost/residue, 198 clashes 0.0177692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 315 ## TwoFragment 5 ## CrossOver 30 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 48 ## JiggleSubtree 37 ## OptSubtree 48 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 99 # jumping subtree containing T0136:V 211 (0) jump= 0.657657 0.498045 0.510421 0.242712 -45.0477 27.4468 -31.4354 # Removing break before 95 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 95 # jumping subtree containing T0136:A 263 (52) jump= 0.905862 -0.205831 0.278569 -0.243819 -7.66624 1.82606 28.526 # Removing break before 99 # Removing break before 99 # Removing break before 95 # generation 25: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.4509 cost/residue, 198 clashes 0.0177692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 318 ## TwoFragment 5 ## CrossOver 34 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 42 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 95 # Removing break before 99 # Removing break before 99 # generation 26: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0402 cost/residue, 204 clashes 0.014812 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 325 ## TwoFragment 5 ## CrossOver 38 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 46 ## OptSubtree 65 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 226 (15) jump= 0.791484 -0.158612 0.56883 0.157567 -11.654 18.3674 -13.476 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 99 # generation 27: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0402 cost/residue, 204 clashes 0.014812 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 329 ## TwoFragment 5 ## CrossOver 41 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 53 ## OptSubtree 75 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break before 95 # Removing break before 38 # Removing break moved up 3 to before 42 # generation 28: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0234 cost/residue, 201 clashes 0.0265595 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 333 ## TwoFragment 5 ## CrossOver 42 ## CrossAndInsert 28 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 61 ## OptSubtree 84 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 99 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 95 # jumping subtree containing T0136:A 310 (99) jump= 0.961488 0.179635 0.205647 -0.0313123 -17.5234 3.07122 -22.0065 # generation 29: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0234 cost/residue, 201 clashes 0.0265595 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 333 ## TwoFragment 5 ## CrossOver 43 ## CrossAndInsert 28 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 70 ## OptSubtree 98 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.688459 -0.306681 0.401017 0.520727 -3.90455 11.2763 -28.3445 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 226 (15) jump= -0.36382 -0.456613 0.809731 0.0589417 -0.974077 -9.88176 -7.18838 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:Y 312 (101) jump= -0.999678 -0.000411681 0.0170574 -0.0187728 26.2263 2.99973 -13.177 # generation 30: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0234 cost/residue, 201 clashes 0.0265594 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 333 ## TwoFragment 5 ## CrossOver 47 ## CrossAndInsert 28 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 77 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 95 # jumping subtree containing T0136:D 301 (90) jump= -0.296821 0.0809054 -0.441054 0.843103 24.0508 21.6665 -8.70856 # jumping subtree containing T0136:A 310 (99) jump= 0.871281 -0.204513 0.436776 -0.0909461 18.5206 -4.69724 2.30896 # jumping subtree containing T0136:A 226 (15) jump= 0.654436 -0.617111 -0.139711 0.413967 -22.7689 49.064 -0.751384 # generation 31: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9934 cost/residue, 197 clashes 0.014812 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 334 ## TwoFragment 5 ## CrossOver 50 ## CrossAndInsert 28 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 83 ## OptSubtree 125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 99 # jumping subtree containing T0136:P 256 (45) jump= -0.256337 -0.93152 0.0442332 -0.254174 -14.4634 -1.16407 -23.22 # Removing break moved up 3 to before 42 # Removing break before 99 # jumping subtree containing T0136:K 250 (39) jump= -0.999145 0.0319585 -0.025283 -0.00696994 6.07912 28.336 6.59208 # generation 32: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9934 cost/residue, 197 clashes 0.014812 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 334 ## TwoFragment 5 ## CrossOver 53 ## CrossAndInsert 28 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 93 ## OptSubtree 136 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # Removing break before 99 # Removing break before 99 # jumping subtree containing T0136:A 310 (99) jump= 0.99997 -0.00502755 0.00376346 0.00445157 -4.79331 -13.209 13.1515 # Removing break before 99 # Removing break before 99 # jumping subtree containing T0136:A 226 (15) jump= -0.196657 0.968925 0.125743 -0.0818534 17.0743 4.6827 27.7233 # Removing break before 99 # Removing break moved up 3 to before 42 # Removing break before 99 # Removing break before 99 # generation 33: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9847 cost/residue, 197 clashes 0.0343026 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 55 ## CrossAndInsert 28 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 99 ## OptSubtree 150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 99 # Removing break before 99 # Removing break moved up 3 to before 42 # Removing break before 39 # Removing break moved up 3 to before 42 # Removing break before 95 # generation 34: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9847 cost/residue, 197 clashes 0.0343026 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 57 ## CrossAndInsert 28 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 105 ## OptSubtree 166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break before 39 # Removing break before 99 # Removing break before 99 # Removing break before 39 # jumping subtree containing T0136:N 275 (64) jump= 0.698443 -0.491978 -0.47301 -0.215401 -31.2489 56.8699 -51.2268 # jumping subtree containing T0136:Q 257 (46) jump= -0.869557 -0.0991154 -0.252189 -0.412853 15.2457 33.6181 -41.663 # Removing break before 95 # generation 35: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9825 cost/residue, 197 clashes 0.014812 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 61 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 115 ## OptSubtree 176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.762508 -0.574374 -0.256322 0.151574 -3.87688 9.16582 8.92508 # Removing break moved up 3 to before 42 # Removing break before 99 # Removing break before 99 # Removing break before 99 # Removing break before 99 # jumping subtree containing T0136:A 226 (15) jump= 0.903554 0.152062 -0.386047 -0.106935 -28.3749 -8.7954 2.19973 # Removing break before 39 # Removing break moved up 3 to before 42 # Removing break before 39 # jumping subtree containing T0136:T 276 (65) jump= 0.999097 -0.0168276 0.035298 0.0166324 -10.3888 -0.705421 -9.02306 # jumping subtree containing T0136:P 256 (45) jump= 0.673725 0.645031 0.223503 -0.282977 -3.23053 7.73606 -19.6949 # generation 36: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9547 cost/residue, 193 clashes 0.0225551 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 63 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 122 ## OptSubtree 191 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:K 250 (39) jump= 0.954853 0.287046 0.060534 -0.0468613 -6.12736 -6.96195 3.80308 # Removing break before 99 # Removing break before 39 # Removing break before 39 # Removing break before 39 # Removing break before 39 # generation 37: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9437 cost/residue, 193 clashes 0.0225552 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 64 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 135 ## OptSubtree 201 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:V 292 (81) jump= 0.648941 -0.069178 -0.754877 -0.0651956 -98.7475 9.85682 -4.4167 # Removing break before 39 # Removing break moved up 3 to before 42 # Removing break before 39 # Removing break before 39 # Removing break before 39 # Removing break before 39 # Removing break before 39 # generation 38: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9437 cost/residue, 193 clashes 0.0225552 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 336 ## TwoFragment 5 ## CrossOver 66 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 142 ## OptSubtree 215 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 39 # Removing break before 39 # Removing break before 95 # Removing break before 95 # jumping subtree containing T0136:A 226 (15) jump= -0.930059 -0.15185 0.0937622 0.321154 -37.8102 -22.4797 10.9553 # Removing break before 39 # Removing break before 39 # generation 39: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9437 cost/residue, 193 clashes 0.0225552 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 336 ## TwoFragment 5 ## CrossOver 67 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 150 ## OptSubtree 230 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 39 # Removing break before 39 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:A 226 (15) jump= 0.43391 -0.372066 0.733008 -0.368766 -13.9541 2.93305 -27.7808 # jumping subtree containing T0136:A 226 (15) jump= 0.988905 -0.00484786 0.00965757 0.148158 -6.60376 19.8845 -15.4827 # Removing break before 95 # Removing break before 39 # jumping subtree containing T0136:A 226 (15) jump= -0.736794 0.297641 -0.590378 0.141413 14.868 -1.60354 0.80336 # Removing break before 39 # generation 40: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9035 cost/residue, 193 clashes 0.0199202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 68 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 157 ## OptSubtree 249 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:V 211 (0) jump= -0.0195022 0.0347078 -0.988638 -0.144946 -18.8979 5.94322 -75.0135 # jumping subtree containing T0136:P 256 (45) jump= -0.83165 0.0205258 0.522401 0.187175 -32.1779 10.1797 -20.124 # jumping subtree containing T0136:L 306 (95) jump= -0.626921 -0.232326 0.687113 -0.284378 -26.7619 9.98712 16.9501 # Removing break before 39 # Removing break before 39 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:A 226 (15) jump= -0.593553 0.234188 -0.291106 0.712817 -18.8009 -27.196 -8.56313 # generation 41: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9035 cost/residue, 193 clashes 0.0199202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 70 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 169 ## OptSubtree 259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break before 39 # jumping subtree containing T0136:P 256 (45) jump= -0.962122 0.189582 0.0873845 0.175341 -6.86538 -11.4147 27.9776 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:P 283 (72) jump= -0.650837 0.346128 0.648343 -0.190416 -26.4051 25.4831 23.5722 # Removing break before 95 # jumping subtree containing T0136:A 226 (15) jump= -0.154771 -0.71407 -0.14137 0.667955 -36.0741 8.1327 -5.65868 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:A 226 (15) jump= -0.965185 0.0318598 0.238011 -0.1037 -9.95285 -11.2799 25.1425 # Removing break moved up 3 to before 42 # generation 42: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9035 cost/residue, 193 clashes 0.0199202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 72 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 180 ## OptSubtree 280 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 226 (15) jump= -0.90769 0.308747 0.266707 -0.0981929 11.2933 4.32069 10.0943 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:P 256 (45) jump= -0.685425 -0.0665937 -0.229311 -0.687877 47.7722 28.1695 -35.9777 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # generation 43: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9035 cost/residue, 193 clashes 0.0199202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 74 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 192 ## OptSubtree 290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 226 (15) jump= 0.795746 -0.250883 -0.0960574 -0.542789 -36.4809 -17.3035 30.5291 # jumping subtree containing T0136:L 306 (95) jump= -0.685496 -0.41987 0.460626 -0.376336 -9.61889 -25.3096 -35.4246 # jumping subtree containing T0136:P 256 (45) jump= 0.492981 0.198635 0.35875 0.767341 39.6054 15.9627 -39.6303 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:G 289 (78) jump= 0.209726 -0.460786 -0.12649 -0.853049 -24.5373 66.4357 3.46082 # jumping subtree containing T0136:K 250 (39) jump= 0.426484 0.180536 0.454122 0.761112 -5.6873 46.4139 -42.1935 # generation 44: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9035 cost/residue, 193 clashes 0.0199202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 75 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 202 ## OptSubtree 303 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break before 95 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:V 295 (84) jump= -0.524915 0.0269546 -0.664034 0.531786 54.934 -1.05588 -16.2893 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.983265 -0.13459 -0.0454833 -0.114047 1.31011 -0.392725 32.1185 # jumping subtree containing T0136:A 226 (15) jump= -0.905826 0.0187541 -0.0728625 -0.416915 7.11333 51.2247 13.019 # Removing break before 95 # jumping subtree containing T0136:A 226 (15) jump= -0.0253698 -0.96312 -0.184816 -0.193907 9.74674 82.9247 -78.3854 # generation 45: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9034 cost/residue, 193 clashes 0.0199202 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 77 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 212 ## OptSubtree 315 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 226 (15) jump= -0.911267 0.347358 -0.108483 0.192786 -15.0954 -5.30293 36.2958 # jumping subtree containing T0136:A 226 (15) jump= 0.00990309 -0.660991 0.333237 0.672269 -50.6354 52.9792 -36.3112 # jumping subtree containing T0136:P 256 (45) jump= 0.710973 0.146218 0.675245 -0.131076 -31.7634 -3.08136 -63.8973 # jumping subtree containing T0136:L 306 (95) jump= -0.978621 0.198498 -0.00982047 -0.052939 8.75941 28.3816 3.88779 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 226 (15) jump= 0.373521 0.829294 -0.324347 0.259909 17.2161 4.13087 -56.0407 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:V 211 (0) jump= 0.0984547 0.43878 0.180335 0.87479 -12.1141 69.1369 16.4118 # generation 46: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8333 cost/residue, 190 clashes 0.0222054 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 78 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 219 ## OptSubtree 330 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.83858 0.326667 -0.0790152 0.428752 37.7722 55.8753 -19.8484 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 241 (30) jump= 0.0868506 -0.00635765 0.764178 0.6391 -8.58963 12.097 -53.9165 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:P 256 (45) jump= 0.574097 -0.220354 -0.774068 0.150583 -44.2839 -10.5344 -27.4444 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:K 250 (39) jump= 0.556976 0.0666592 -0.676191 0.477599 -28.8373 -15.4921 -26.4924 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:P 256 (45) jump= 0.738612 0.0875055 -0.660015 -0.105717 -45.7906 -17.6748 24.9767 # generation 47: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.7536 cost/residue, 188 clashes 0.0228143 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 338 ## TwoFragment 5 ## CrossOver 84 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 225 ## OptSubtree 341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.999207 0.00787995 0.0210992 0.0328469 -6.58434 -2.73142 -17.098 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 226 (15) jump= -0.0542006 0.686002 -0.325282 0.648579 5.04008 4.85043 -16.2821 # jumping subtree containing T0136:V 211 (0) jump= -0.270643 0.233289 0.0671916 -0.931565 -7.90071 54.687 21.7695 # Removing break moved up 3 to before 42 # Removing break before 95 # jumping subtree containing T0136:L 306 (95) jump= 0.992433 -0.104948 -0.0619228 0.0150793 -32.1022 21.3172 11.1586 # jumping subtree containing T0136:L 306 (95) jump= 0.368355 0.137743 -0.557083 0.731437 51.9498 -62.371 -55.4302 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 226 (15) jump= 0.767205 0.32133 -0.203213 -0.516573 -39.8548 -4.861 -15.1921 # Removing break moved up 3 to before 42 # generation 48: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.7382 cost/residue, 188 clashes 0.0228144 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 339 ## TwoFragment 5 ## CrossOver 85 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 237 ## OptSubtree 357 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.966021 -0.0998967 -0.236404 -0.0306208 59.5531 -19.3157 10.4429 # Removing break moved up 3 to before 42 # generation 49: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.7382 cost/residue, 188 clashes 0.0228144 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 339 ## TwoFragment 5 ## CrossOver 86 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 256 ## OptSubtree 370 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.956866 0.105111 0.143258 0.229862 40.7816 -17.7583 -27.8619 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.60819 -0.620407 0.468609 0.160014 -13.5364 26.8374 -109.796 # Removing break moved up 3 to before 42 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 313 (102) jump= -0.191389 -0.0190438 -0.955828 -0.222263 33.7523 11.8075 -95.0562 # Removing break moved up 3 to before 42 # generation 50: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6915 cost/residue, 186 clashes 0.0221846 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 90 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 265 ## OptSubtree 385 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 256 (45) jump= -0.280525 -0.43159 -0.831201 -0.210096 122.359 -52.5658 -100.277 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.681423 0.146474 -0.307822 0.647652 81.575 58.8046 -7.04776 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.653723 0.424462 0.140598 -0.6105 4.76742 -55.611 4.34894 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # generation 51: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6915 cost/residue, 186 clashes 0.0221845 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 90 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 274 ## OptSubtree 400 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.28485 -0.0237028 0.912689 0.292057 -17.7391 60.3567 -117.083 # jumping subtree containing T0136:V 211 (0) jump= 0.745741 -0.617001 0.250557 -0.0200129 4.30413 67.9965 -21.7617 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 95 # jumping subtree containing T0136:P 256 (45) jump= -0.0946214 -0.141332 0.985111 -0.0250719 -17.9704 2.46303 -88.312 # jumping subtree containing T0136:P 256 (45) jump= 0.427644 0.790692 0.234079 -0.370317 -1.52575 -28.1313 -83.0727 # jumping subtree containing T0136:V 295 (84) jump= -0.622911 -0.465678 -0.103592 -0.619996 70.506 -19.0619 -32.6404 # generation 52: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6915 cost/residue, 186 clashes 0.0221845 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 92 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 283 ## OptSubtree 419 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.23009 0.0409448 0.437286 -0.868426 11.1662 11.2795 30.5069 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.139093 0.573833 0.754529 -0.286451 35.4304 -69.5206 -79.753 # jumping subtree containing T0136:L 306 (95) jump= 0.839088 0.0914466 0.369206 -0.388915 5.20381 -18.0064 0.0352049 # jumping subtree containing T0136:L 306 (95) jump= -0.209706 0.0884751 0.364756 0.902856 1.69848 74.9325 -58.5616 # jumping subtree containing T0136:D 241 (30) jump= -0.999577 -0.0219279 0.00972573 0.0164595 -8.20638 -14.3765 -13.496 # generation 53: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6915 cost/residue, 186 clashes 0.0221846 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 93 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 290 ## OptSubtree 435 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= -0.809115 -0.071235 0.555742 0.177228 -9.68786 11.026 -42.8339 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 241 (30) jump= 0.981655 -0.0701968 -0.101755 0.14516 -35.2398 8.42625 1.88852 # jumping subtree containing T0136:V 211 (0) jump= 0.0269303 -0.665779 -0.701953 -0.251546 -33.1068 111.721 -180.773 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 95 # jumping subtree containing T0136:P 256 (45) jump= 0.770716 -0.590992 0.112265 0.210053 -2.42995 65.3304 -27.8527 # jumping subtree containing T0136:D 241 (30) jump= 0.547879 -0.2357 -0.770672 0.224364 -79.7951 5.44429 -126.769 # jumping subtree containing T0136:D 301 (90) jump= 0.444542 0.564431 0.683745 -0.127641 24.4442 -38.2385 -87 # Removing break moved up 3 to before 42 # generation 54: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6914 cost/residue, 186 clashes 0.0221847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 94 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 298 ## OptSubtree 450 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 256 (45) jump= -0.980435 0.181313 -0.0232776 -0.0730096 20.1648 17.3481 8.44304 # jumping subtree containing T0136:V 295 (84) jump= 0.827678 -0.389694 -0.215111 -0.341781 -48.8534 56.9914 -13.9742 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 244 (33) jump= 0.671889 -0.300854 -0.411827 0.537076 -44.2918 -0.82962 -38.3307 # jumping subtree containing T0136:L 306 (95) jump= 0.318832 -0.0957022 0.55402 -0.763053 25.0254 6.59756 -17.4149 # Removing break moved up 3 to before 42 # generation 55: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6914 cost/residue, 186 clashes 0.0221847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 95 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 305 ## OptSubtree 466 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:F 265 (54) jump= -0.943123 -0.0966161 0.158089 0.276029 -12.289 2.75555 15.8421 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.29685 -0.550338 -0.714523 0.313792 -0.606989 -21.1158 -105.877 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:E 225 (14) jump= 0.880622 -0.172253 0.436092 0.0682411 63.8156 41.0217 -21.1654 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.975422 0.179976 0.0780463 -0.100344 7.16352 -38.0388 -35.4899 # generation 56: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6914 cost/residue, 186 clashes 0.0221847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 98 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 315 ## OptSubtree 477 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= 0.119898 -0.932814 0.165099 0.297028 -25.4132 -14.1129 -139.125 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 241 (30) jump= -0.576936 0.0452103 -0.666532 -0.469932 75.5513 13.7445 -37.5627 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:V 211 (0) jump= 0.231134 -0.0381482 0.173074 -0.956644 -8.27909 75.5736 15.2158 # jumping subtree containing T0136:L 306 (95) jump= -0.342572 0.575015 0.490902 0.557689 13.2372 95.7141 -123.077 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.352659 -0.52542 -0.709599 0.309895 -78.4647 25.758 -75.768 # generation 57: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6914 cost/residue, 186 clashes 0.0221847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 101 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 322 ## OptSubtree 491 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.0120046 -0.634381 -0.714613 -0.294524 34.2942 20.5582 -83.5942 # jumping subtree containing T0136:P 256 (45) jump= 0.924721 -0.0999467 -0.367081 0.0123982 -40.5701 -1.56448 -32.4359 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:P 256 (45) jump= -0.169861 0.106006 0.322032 0.925314 29.1501 122.703 -39.7104 # jumping subtree containing T0136:G 223 (12) jump= -0.989953 0.0857658 0.110051 -0.0229286 -24.9 35.9782 16.2202 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= 0.981168 0.0713548 -0.0216068 -0.178187 -27.0543 -4.87493 -18.2204 # Removing break moved up 3 to before 42 # generation 58: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6914 cost/residue, 186 clashes 0.0221847 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 105 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 332 ## OptSubtree 501 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= 0.58146 0.400412 0.705918 -0.0570541 97.3893 -67.4798 -135.122 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:P 256 (45) jump= 0.664163 0.740419 -0.00541824 -0.103139 -33.1406 -57.2353 -121.139 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # generation 59: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6873 cost/residue, 186 clashes 0.0311488 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 109 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 339 ## OptSubtree 513 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.974268 -0.0971032 0.0584715 0.194818 32.5096 3.15207 14.7041 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= 0.35525 -0.367813 0.685179 -0.518691 151.093 9.91171 -108.383 # jumping subtree containing T0136:L 306 (95) jump= 0.0214135 0.150593 0.984195 -0.0906864 -11.211 -20.5063 -157.701 # Removing break before 95 # jumping subtree containing T0136:H 227 (16) jump= 0.511533 -0.560857 -0.440575 0.479236 -105.264 -8.17483 -89.533 # jumping subtree containing T0136:G 223 (12) jump= 0.319056 -0.0685136 0.879199 -0.347157 61.5541 -27.1504 -94.1881 # jumping subtree containing T0136:W 302 (91) jump= 0.930173 0.0667954 -0.094644 0.348367 18.81 -7.74262 -26.4298 # Removing break before 95 # jumping subtree containing T0136:L 306 (95) jump= -0.699877 -0.446606 -0.390898 -0.397384 42.1817 -14.0939 -76.0758 # generation 60: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6872 cost/residue, 186 clashes 0.0311487 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 112 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 344 ## OptSubtree 529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 313 (102) jump= 0.921244 -0.217841 -0.133664 0.293239 10.2586 44.7168 12.1546 # jumping subtree containing T0136:L 306 (95) jump= -0.0281351 0.369013 0.925343 -0.0823259 -10.4082 -18.0825 -215.774 # jumping subtree containing T0136:L 255 (44) jump= 0.726926 -0.26115 0.237167 0.589178 47.218 77.5546 -0.783415 # jumping subtree containing T0136:L 306 (95) jump= 0.528101 -0.342785 -0.0736816 0.77342 -90.6035 -3.69065 -12.2352 # Removing break before 16 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.105077 -0.73981 0.641155 0.174814 -0.186255 68.9898 -162.335 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 95 # generation 61: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6872 cost/residue, 186 clashes 0.0311487 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 115 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 357 ## OptSubtree 545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 306 (95) jump= 0.997995 -0.0160833 0.0260718 0.0553875 21.332 12.4671 -20.8323 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= -0.742359 0.361672 0.458178 -0.328892 -87.1363 54.377 -26.5409 # jumping subtree containing T0136:P 256 (45) jump= 0.439201 0.750163 0.446186 -0.212783 -14.1081 -101.234 -180.01 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 16 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # generation 62: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6872 cost/residue, 186 clashes 0.0311487 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 119 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 360 ## OptSubtree 562 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 301 (90) jump= 0.218063 -0.371596 -0.885803 0.17239 -54.5733 -33.2269 -172.638 # Removing break before 16 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:P 256 (45) jump= -0.456314 0.350747 0.127648 0.80775 50.4329 91.0754 -36.2822 # jumping subtree containing T0136:H 227 (16) jump= -0.427201 0.701148 -0.472783 -0.319949 0.403234 109.5 -133.589 # jumping subtree containing T0136:P 256 (45) jump= -0.995463 0.0818513 -0.0477086 0.00882192 5.80107 12.6933 -16.2599 # jumping subtree containing T0136:V 211 (0) jump= 0.575032 -0.552607 0.18536 0.574113 -28.3022 84.4691 -59.1228 # jumping subtree containing T0136:H 227 (16) jump= -0.972896 0.0452035 0.196712 -0.112851 -54.7495 -15.3509 2.48196 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.934876 -0.183771 -0.289474 -0.0918645 -49.4064 51.1595 -41.2658 # jumping subtree containing T0136:L 306 (95) jump= 0.905761 -0.21263 0.366005 -0.0206407 94.5176 27.295 -18.0067 # jumping subtree containing T0136:L 306 (95) jump= -0.983919 0.0278447 -0.034587 -0.173007 7.21035 -11.6545 27.9058 # generation 63: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6872 cost/residue, 186 clashes 0.0311487 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 122 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 363 ## OptSubtree 580 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # jumping subtree containing T0136:D 301 (90) jump= 0.383306 -0.217638 -0.679308 -0.586729 -23.8009 109.77 -83.398 # jumping subtree containing T0136:L 306 (95) jump= -0.858454 0.406579 0.122456 0.287672 -2.5441 104.34 -24.9993 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break before 16 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.136743 -0.884495 -0.278648 -0.348318 58.1336 65.6271 -153.067 # jumping subtree containing T0136:L 255 (44) jump= -0.461722 -0.840255 0.220284 0.179608 -24.0844 -57.1961 -127.22 # jumping subtree containing T0136:L 306 (95) jump= -0.401778 0.625432 -0.560747 -0.364653 17.9691 117.055 -133.531 # jumping subtree containing T0136:V 211 (0) jump= -0.269345 0.24718 0.375102 0.851853 62.4353 84.752 -61.4762 # jumping subtree containing T0136:L 306 (95) jump= -0.116405 -0.732955 0.126307 -0.658235 85.8586 3.83856 -122.149 # jumping subtree containing T0136:L 306 (95) jump= -0.278259 -0.0341907 -0.034307 -0.959284 53.6705 25.4342 16.2224 # generation 64: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6872 cost/residue, 186 clashes 0.0311487 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 130 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 366 ## OptSubtree 593 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # Removing break before 95 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 16 # jumping subtree containing T0136:D 301 (90) jump= 0.590673 0.221716 0.63438 0.446665 93.5081 42.6578 -96.4491 # jumping subtree containing T0136:L 306 (95) jump= -0.0606886 0.447388 0.295399 -0.841962 -37.8995 -0.471668 -16.0821 # jumping subtree containing T0136:L 306 (95) jump= -0.515362 -0.55947 0.455416 0.462592 -90.9129 40.9114 -103.649 # generation 65: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6861 cost/residue, 186 clashes 0.0311487 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 140 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 366 ## OptSubtree 607 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= 0.750939 -0.309042 -0.305515 -0.497237 -19.646 75.6997 -57.9722 # jumping subtree containing T0136:L 306 (95) jump= 0.215012 -0.0710075 -0.968828 0.100503 19.0644 -22.0422 -182.558 # Removing break before 16 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 301 (90) jump= -0.90342 -0.239825 0.225144 0.275002 -40.0825 -45.4014 -14.5456 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:R 293 (82) jump= 0.99849 -0.0537748 0.00291668 0.0108275 -1.37116 14.095 -23.7757 # jumping subtree containing T0136:H 227 (16) jump= 0.828896 0.527334 -0.0995584 0.15792 -1.57509 -68.2576 -86.7714 # jumping subtree containing T0136:L 306 (95) jump= -0.755494 0.228158 -0.453205 -0.414461 71.3064 61.8518 -40.8314 # generation 66: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.643 cost/residue, 186 clashes 0.0416632 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 342 ## TwoFragment 5 ## CrossOver 146 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 369 ## OptSubtree 621 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 301 (90) jump= 0.999963 -0.00848575 0.000298586 0.00140647 -3.83857 22.4616 13.7653 # jumping subtree containing T0136:P 256 (45) jump= 0.519488 -0.198749 0.234156 -0.797372 80.4692 19.1649 -13.95 # jumping subtree containing T0136:L 306 (95) jump= -0.385963 0.175959 -0.283128 0.86018 46.9186 -1.40714 -21.3302 # jumping subtree containing T0136:P 256 (45) jump= 0.626335 0.0919101 -0.425618 0.646611 -19.3378 -84.7047 -71.5776 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:H 227 (16) jump= 0.507481 0.029491 0.859091 -0.0596359 112.784 8.75057 -165.873 # jumping subtree containing T0136:H 227 (16) jump= 0.840744 0.0700331 0.27349 -0.462004 45.8518 4.97297 8.57881 # Removing break moved up 3 to before 42 # generation 67: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.551 cost/residue, 190 clashes 0.0443179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 343 ## TwoFragment 5 ## CrossOver 148 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 382 ## OptSubtree 638 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.525003 -0.198205 -0.12856 -0.817655 36.1691 45.1634 -7.37923 # jumping subtree containing T0136:K 298 (87) jump= -0.307495 0.325159 -0.837411 -0.313786 100.606 99.5126 -157.413 # jumping subtree containing T0136:P 274 (63) jump= -0.467086 -0.852323 0.157991 -0.174396 -0.313852 -82.083 -175.661 # jumping subtree containing T0136:H 227 (16) jump= 0.998077 0.0530351 -0.0288353 -0.0141079 6.70321 -29.0138 -9.01947 # jumping subtree containing T0136:H 227 (16) jump= -0.807519 -0.024795 -0.581112 -0.0980203 132.799 2.32132 -41.9104 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 16 # jumping subtree containing T0136:I 296 (85) jump= 0.998973 0.0033285 0.0445302 0.00773247 3.50665 -0.64371 -22.9043 # jumping subtree containing T0136:L 255 (44) jump= 0.986347 -0.155308 0.0537585 0.0104388 8.50984 21.1172 -20.564 # Removing break before 16 # Removing break before 95 # generation 68: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.551 cost/residue, 190 clashes 0.0443179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 343 ## TwoFragment 5 ## CrossOver 150 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 392 ## OptSubtree 658 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= 0.925885 0.262872 -0.181656 -0.201586 -58.0726 -44.4412 -13.4974 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:I 296 (85) jump= 0.27796 0.851918 -0.369764 0.245456 20.5394 -27.4639 -194.428 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:H 227 (16) jump= -0.873578 -0.196537 0.370462 0.246967 -95.0223 -3.71233 -56.337 # jumping subtree containing T0136:H 227 (16) jump= -0.945073 -0.202099 -0.143913 -0.212797 60.6207 -29.8923 -44.1889 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:V 295 (84) jump= -0.893751 0.352955 -0.244889 0.129082 29.9347 75.1929 -10.5366 # Removing break before 91 # jumping subtree containing T0136:S 273 (62) jump= -0.969153 -0.0280345 -0.24482 0.00443868 46.7071 6.06993 -11.053 # Removing break moved up 3 to before 42 # generation 69: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.551 cost/residue, 190 clashes 0.0443179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 343 ## TwoFragment 5 ## CrossOver 152 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 405 ## OptSubtree 677 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:H 227 (16) jump= 0.991686 0.0609541 -0.0879926 -0.0714211 -46.1711 -0.945678 -0.597292 # jumping subtree containing T0136:L 306 (95) jump= 0.885446 -0.407425 0.213423 0.0666358 30.8708 77.9003 -36.8031 # jumping subtree containing T0136:V 211 (0) jump= -0.987529 0.0749677 -0.0303542 0.135074 -1.74032 25.3416 19.578 # jumping subtree containing T0136:H 227 (16) jump= 0.228601 0.189787 0.885579 0.357033 62.4865 72.1993 -175.184 # Removing break before 91 # Removing break moved up 3 to before 42 # generation 70: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.551 cost/residue, 190 clashes 0.0443181 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 343 ## TwoFragment 5 ## CrossOver 156 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 408 ## OptSubtree 695 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # jumping subtree containing T0136:V 211 (0) jump= 0.990717 0.0790413 -0.110146 0.0100323 -15.2634 -20.2847 16.798 # jumping subtree containing T0136:H 227 (16) jump= -0.999653 0.013372 0.0224184 -0.00339696 -12.3068 0.376831 -0.538972 # jumping subtree containing T0136:K 250 (39) jump= -0.862948 0.111522 0.492787 -0.00672555 -90.5947 36.7994 -72.8671 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:H 227 (16) jump= 0.921438 -0.080971 0.236676 -0.297289 38.6694 -10.2951 14.1555 # jumping subtree containing T0136:L 255 (44) jump= 0.040756 -0.129752 -0.833356 0.535744 17.1584 -97.62 -147.387 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 255 (44) jump= -0.950094 -0.111498 0.115269 0.267586 -12.2924 -12.2637 3.2701 # Removing break before 91 # jumping subtree containing T0136:F 236 (25) jump= 0.915434 0.162742 -0.223593 0.292406 7.2238 -54.2225 -21.0563 # jumping subtree containing T0136:W 302 (91) jump= -0.877805 -0.170323 0.423838 0.144257 -79.3482 -22.9489 -59.5314 # jumping subtree containing T0136:W 302 (91) jump= -0.433855 -0.841749 0.307283 -0.0938403 -24.7452 -38.4948 -165.448 # jumping subtree containing T0136:W 302 (91) jump= 0.889828 0.412539 0.10942 -0.161381 -16.3608 -55.9771 -17.8166 # generation 71: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.551 cost/residue, 190 clashes 0.0443181 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 343 ## TwoFragment 5 ## CrossOver 160 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 412 ## OptSubtree 711 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.80946 -0.491279 -0.31832 0.0457329 -68.9717 87.5807 -55.0685 # jumping subtree containing T0136:S 273 (62) jump= 0.996673 -0.0725388 -0.017507 -0.0327699 -11.3091 22.8877 -14.8582 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= -0.764274 0.439443 0.411847 0.230557 -15.5679 89.0683 -113.535 # jumping subtree containing T0136:H 227 (16) jump= -0.506864 -0.818659 0.0788104 -0.258217 40.2209 -74.3549 -156.521 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:H 227 (16) jump= -0.907703 0.389446 0.109727 0.111209 -8.69587 88.62 1.83532 # Removing break before 91 # Removing break moved up 3 to before 42 # Removing break before 95 # jumping subtree containing T0136:F 236 (25) jump= -0.30514 0.819768 0.297674 0.38244 35.1424 87.9583 -152.25 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:H 227 (16) jump= 0.91402 0.401339 -0.0568632 0.0161423 -17.7742 -55.0411 -44.0155 # generation 72: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.474 cost/residue, 190 clashes 0.0433187 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 344 ## TwoFragment 5 ## CrossOver 162 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 417 ## OptSubtree 727 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= 0.862138 -0.333831 -0.17946 0.336258 -9.54106 40.4311 -2.34064 # jumping subtree containing T0136:W 302 (91) jump= 0.841858 0.503297 0.0356633 0.191562 9.62316 -65.6246 -52.1896 # Removing break before 91 # jumping subtree containing T0136:P 256 (45) jump= 0.949851 0.176785 0.110534 0.233049 29.4552 -43.6881 9.26493 # generation 73: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.474 cost/residue, 190 clashes 0.0433187 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 344 ## TwoFragment 5 ## CrossOver 164 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 424 ## OptSubtree 744 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.0505681 -0.661836 0.566594 -0.488249 75.102 -47.4828 -181.599 # jumping subtree containing T0136:K 250 (39) jump= -0.799819 -0.174038 -0.568789 0.0804984 89.8399 -24.4382 -70.736 # jumping subtree containing T0136:V 211 (0) jump= 0.967721 -0.0608509 -0.228857 -0.0862397 -30.3137 28.4575 -48.4803 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:L 306 (95) jump= -0.0802441 0.756561 0.610516 -0.220104 1.48084 -41.4423 -136.079 # jumping subtree containing T0136:L 306 (95) jump= 0.681737 0.0548961 0.709556 -0.169561 111.918 -27.6564 -51.0518 # jumping subtree containing T0136:V 211 (0) jump= 0.581564 -0.659535 0.170192 0.444783 -5.48842 133.442 -47.5798 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= -0.446819 -0.533817 0.673562 -0.248407 -17.9218 -43.3834 -163.992 # Removing break before 91 # Removing break before 91 # generation 74: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4699 cost/residue, 189 clashes 0.0431734 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 344 ## TwoFragment 5 ## CrossOver 168 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 432 ## OptSubtree 764 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 95 # jumping subtree containing T0136:K 250 (39) jump= -0.970519 0.125387 0.0454272 -0.200765 3.77824 18.3514 -10.7015 # jumping subtree containing T0136:K 250 (39) jump= 0.934917 0.100256 0.276861 0.198056 67.4 -9.54029 -40.0152 # jumping subtree containing T0136:K 250 (39) jump= 0.970006 0.138214 0.129525 0.152342 54.8006 -49.1136 -27.1583 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # generation 75: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3418 cost/residue, 189 clashes 0.0693765 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 345 ## TwoFragment 5 ## CrossOver 170 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 435 ## OptSubtree 782 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.978979 0.186214 0.0829078 0.00711324 -6.38554 -38.0575 1.4748 # jumping subtree containing T0136:G 222 (11) jump= -0.862248 0.154609 0.474308 0.0874999 -63.3842 28.8374 -85.172 # jumping subtree containing T0136:L 255 (44) jump= 0.820833 0.406346 -0.0163532 -0.40106 -26.0037 -61.8194 -48.3692 # jumping subtree containing T0136:L 306 (95) jump= -0.0786841 -0.396667 -0.323393 0.8555 -16.9137 -30.7142 -12.0264 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= -0.410924 0.675261 0.151256 0.593536 42.603 112.893 -99.2729 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:K 250 (39) jump= 0.978802 -0.0952349 -0.00273575 0.181301 -6.93546 44.9544 6.68928 # generation 76: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1874 cost/residue, 191 clashes 0.0581389 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 346 ## TwoFragment 5 ## CrossOver 171 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 447 ## OptSubtree 802 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= -0.853721 -0.450966 -0.239171 -0.102891 60.1003 -36.1945 -51.1022 # jumping subtree containing T0136:K 250 (39) jump= 0.276805 0.352887 -0.840918 -0.302832 -52.6634 47.5015 -222.98 # Removing break moved up 3 to before 42 # Removing break before 49 # jumping subtree containing T0136:D 294 (83) jump= 0.912881 0.0762471 0.39687 0.0576933 74.3051 -8.44907 -6.52847 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= 0.762176 0.281527 -0.449847 0.370767 -14.5968 -102.001 -81.8986 # jumping subtree containing T0136:K 250 (39) jump= 0.208785 0.265389 -0.822783 -0.457172 -63.6992 111.767 -204.665 # Removing break moved up 3 to before 42 # Removing break before 49 # jumping subtree containing T0136:K 250 (39) jump= 0.18248 0.0588531 0.404159 -0.894367 8.13646 -56.0725 -42.1677 # jumping subtree containing T0136:W 302 (91) jump= 0.839086 0.42083 -0.324014 -0.117695 -72.79 -77.9085 -94.4732 # jumping subtree containing T0136:K 250 (39) jump= -0.850675 0.401988 -0.217888 0.259388 88.589 88.7873 -21.1464 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= 0.102256 -0.497646 0.0991035 0.855611 -46.129 65.0226 -27.5643 # jumping subtree containing T0136:W 302 (91) jump= -0.414772 0.760539 0.44957 -0.217785 -52.3308 44.2781 -101.663 # jumping subtree containing T0136:L 306 (95) jump= 0.0619027 -0.0510326 -0.923193 0.37587 1.51778 -74.5044 -150.118 # jumping subtree containing T0136:W 302 (91) jump= -0.23019 0.505382 -0.599916 -0.575936 -5.18351 101.809 -110.956 # generation 77: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1874 cost/residue, 191 clashes 0.0581389 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 347 ## TwoFragment 5 ## CrossOver 172 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 456 ## OptSubtree 824 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= -0.491723 0.681567 0.252652 0.479418 55.4259 151.932 -120.5 # jumping subtree containing T0136:K 250 (39) jump= 0.618849 0.618737 -0.284427 -0.391524 -89.9904 -46.2661 -139.624 # Removing break before 91 # jumping subtree containing T0136:V 211 (0) jump= -0.46096 0.140752 -0.858588 0.174732 140.924 -7.56169 -167.18 # jumping subtree containing T0136:V 211 (0) jump= 0.90924 0.0220923 0.323076 0.261566 61.0264 -8.16926 -4.02938 # jumping subtree containing T0136:K 250 (39) jump= 0.45042 0.0742459 -0.556767 -0.693989 -85.2284 101.098 -110.598 # jumping subtree containing T0136:W 302 (91) jump= -0.79775 0.365646 0.294928 -0.378042 -47.0375 34.5273 -28.9725 # jumping subtree containing T0136:S 273 (62) jump= 0.186745 -0.662237 -0.295291 -0.662851 102.532 76.6228 -145.121 # jumping subtree containing T0136:W 302 (91) jump= 0.936889 0.0981471 -0.0153947 -0.335216 -16.1917 3.39707 -29.0052 # Removing break before 91 # generation 78: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1874 cost/residue, 191 clashes 0.0581389 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 347 ## TwoFragment 5 ## CrossOver 173 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 467 ## OptSubtree 844 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.58118 -0.662305 0.471812 -0.0312117 -59.3766 -72.1984 -177.535 # jumping subtree containing T0136:L 306 (95) jump= -0.626386 0.0953673 -0.245067 -0.733817 38.507 55.0764 -0.259625 # jumping subtree containing T0136:K 250 (39) jump= 0.987523 0.128961 0.0125304 0.0895005 8.00808 -42.0978 -5.17784 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= 0.926327 -0.274287 0.166823 0.197118 -2.28294 48.8054 -4.98347 # Removing break before 47 # jumping subtree containing T0136:W 302 (91) jump= -0.0130763 0.680592 -0.664627 -0.308051 -7.19603 37.6511 -159.502 # jumping subtree containing T0136:K 250 (39) jump= 0.819765 0.256268 -0.512042 -0.0111833 -90.8926 -34.158 -90.824 # jumping subtree containing T0136:K 250 (39) jump= -0.619755 0.314002 -0.55193 -0.461173 67.1155 105.905 -87.8524 # jumping subtree containing T0136:K 250 (39) jump= -0.913545 -0.159741 0.18262 0.326448 -66.6809 -12.6894 2.85283 # jumping subtree containing T0136:S 273 (62) jump= 0.475332 0.673634 0.415764 0.38395 122.173 -77.5861 -118.527 # jumping subtree containing T0136:K 250 (39) jump= -0.288978 -0.0328758 0.944613 -0.152045 -45.536 -34.8705 -197.048 # generation 79: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1653 cost/residue, 193 clashes 0.0595715 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 178 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 472 ## OptSubtree 857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # jumping subtree containing T0136:D 280 (69) jump= -0.936251 -0.334288 -0.0908981 -0.0585005 14.9927 -43.5921 -26.6304 # jumping subtree containing T0136:H 227 (16) jump= -0.141616 -0.46315 -0.480336 0.731242 -63.7606 -64.9493 -79.6826 # jumping subtree containing T0136:K 250 (39) jump= -0.948017 0.283268 -0.111907 -0.092194 36.8651 83.1304 2.23731 # generation 80: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0924 cost/residue, 196 clashes 0.114093 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 349 ## TwoFragment 5 ## CrossOver 181 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 477 ## OptSubtree 872 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.492801 0.478073 0.669118 0.284384 -81.9136 104.959 -157.148 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= 0.952963 0.205629 -0.181702 0.128695 -1.80996 -35.0282 -33.035 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= 0.901557 -0.260421 -0.0531506 0.341395 5.83743 77.1744 -0.298777 # jumping subtree containing T0136:K 250 (39) jump= -0.128545 0.498569 -0.459616 0.723642 130.303 -7.15257 -108.136 # Removing break before 16 # jumping subtree containing T0136:W 302 (91) jump= -0.975678 0.0427804 0.0865838 0.196789 -34.7121 31.0956 6.25449 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:W 302 (91) jump= -0.72349 0.48061 0.143056 -0.474458 -56.1796 64.4268 -10.3709 # jumping subtree containing T0136:K 250 (39) jump= -0.904487 0.167019 -0.0250944 0.391636 18.145 63.8545 0.0718325 # generation 81: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0756 cost/residue, 217 clashes 0.0954997 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 350 ## TwoFragment 5 ## CrossOver 185 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 51 ## JiggleSubtree 486 ## OptSubtree 890 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:A 218 (7) jump= -0.704327 0.39815 -0.0612645 0.584506 57.463 78.1 -37.2854 # jumping subtree containing T0136:W 302 (91) jump= 0.944713 0.244275 -0.166235 -0.142175 -35.2401 -0.807417 -33.9591 # jumping subtree containing T0136:W 302 (91) jump= 0.307539 0.0711638 -0.941935 -0.114511 -11.7714 15.231 -221.86 # Removing break before 47 # jumping subtree containing T0136:L 306 (95) jump= 0.945403 -0.0690321 -0.129826 0.290847 -31.4383 15.3857 -5.50525 # jumping subtree containing T0136:V 266 (55) jump= 0.796685 -0.524135 -0.227831 -0.196646 -12.9583 123.141 -66.7785 # jumping subtree containing T0136:W 302 (91) jump= 0.793576 -0.398863 0.454139 -0.0700231 91.1973 75.3381 -55.493 # generation 82: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0682 cost/residue, 198 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 190 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 491 ## OptSubtree 910 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.841409 0.326694 0.164096 0.397962 88.2325 -48.3178 -61.8406 # jumping subtree containing T0136:E 277 (66) jump= 0.377948 -0.648612 -0.611958 0.248927 -42.4905 8.42616 -165.319 # jumping subtree containing T0136:A 313 (102) jump= -0.32414 -0.519392 -0.766525 -0.193919 83.8613 -25.1497 -164.16 # jumping subtree containing T0136:W 302 (91) jump= -0.837016 -0.191099 0.0543322 0.509837 -42.0171 -43.8709 2.38182 # generation 83: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0682 cost/residue, 198 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 190 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 54 ## JiggleSubtree 503 ## OptSubtree 931 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.150068 0.859696 0.473903 0.117555 -2.70029 61.6348 -197.351 # jumping subtree containing T0136:W 302 (91) jump= 0.957554 0.236643 -0.157185 -0.0488115 -17.1248 -17.7829 -38.0553 # jumping subtree containing T0136:K 250 (39) jump= -0.034994 -0.973319 0.157864 -0.162801 33.9493 27.752 -220.268 # jumping subtree containing T0136:W 302 (91) jump= 0.232103 0.472419 0.659608 0.536531 90.7238 31.9754 -114.826 # jumping subtree containing T0136:L 306 (95) jump= -0.160177 0.311125 0.0799022 0.93336 151.739 39.3666 -58.9457 # generation 84: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0682 cost/residue, 198 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 193 ## CrossAndInsert 29 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 55 ## JiggleSubtree 510 ## OptSubtree 951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.131042 -0.651734 -0.314354 0.677682 -104.494 -36.2242 -95.0155 # jumping subtree containing T0136:W 302 (91) jump= -0.319949 0.534109 0.765923 0.160385 -35.1284 39.5428 -156.264 # jumping subtree containing T0136:L 306 (95) jump= -0.954364 0.160347 -0.215037 0.13129 39.0858 29.4103 8.05689 # jumping subtree containing T0136:L 306 (95) jump= 0.971459 0.126747 -0.114776 0.164405 -11.4589 -29.379 -18.6624 # jumping subtree containing T0136:V 211 (0) jump= -0.967219 -0.136904 -0.169119 -0.13093 41.4673 -20.4327 4.28958 # jumping subtree containing T0136:K 250 (39) jump= -0.445165 -0.496419 0.644318 0.374502 -91.7346 14.0698 -181.24 # jumping subtree containing T0136:K 250 (39) jump= 0.10664 -0.718032 -0.478006 0.494538 -125.514 -13.508 -160.514 # jumping subtree containing T0136:A 297 (86) jump= 0.539066 0.1573 -0.823432 -0.0813854 -41.4481 5.34036 -144.629 # jumping subtree containing T0136:W 302 (91) jump= 0.329587 0.635119 -0.598149 0.360851 -8.72789 -51.6842 -129.126 # jumping subtree containing T0136:W 302 (91) jump= -0.67426 0.598678 0.421024 -0.0984733 -61.8067 44.5511 -85.9428 # generation 85: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.8221 cost/residue, 235 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 194 ## CrossAndInsert 30 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 58 ## JiggleSubtree 517 ## OptSubtree 964 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= 0.494083 -0.0173105 -0.838297 -0.229871 -42.2989 25.4085 -121.152 # jumping subtree containing T0136:E 277 (66) jump= -0.886646 -0.444651 -0.0924149 -0.0871983 23.3695 -82.1148 -33.3979 # jumping subtree containing T0136:V 211 (0) jump= -0.387185 0.344116 -0.166702 -0.838977 -22.4389 73.0266 -6.86135 # jumping subtree containing T0136:K 250 (39) jump= 0.222613 -0.415385 -0.872232 -0.130808 -59.9161 41.4764 -227.728 # jumping subtree containing T0136:E 277 (66) jump= -0.999909 -0.00779207 -0.0105324 -0.00306729 15.0604 4.11366 -10.0566 # jumping subtree containing T0136:K 250 (39) jump= 0.0899747 -0.489652 0.727426 0.472225 -4.36625 129.983 -163.013 # generation 86: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7468 cost/residue, 221 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 198 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 63 ## JiggleSubtree 523 ## OptSubtree 972 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 47 # jumping subtree containing T0136:L 306 (95) jump= 0.574624 0.601362 0.513667 0.210516 90.1427 -17.1186 -148.475 # jumping subtree containing T0136:H 227 (16) jump= 0.949777 0.00850126 0.171683 -0.261488 29.8721 23.2025 -7.17034 # jumping subtree containing T0136:D 294 (83) jump= 0.881272 -0.261513 -0.39006 0.053131 -73.3324 36.2951 -53.0961 # jumping subtree containing T0136:Y 312 (101) jump= -0.1952 0.853941 -0.0171549 0.482065 95.343 24.5114 -144.914 # jumping subtree containing T0136:W 302 (91) jump= 0.376839 0.375998 0.310269 -0.787623 -22.2715 -12.4187 -10.2247 # Removing break before 47 # Removing break before 47 # generation 87: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7468 cost/residue, 221 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 199 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 64 ## JiggleSubtree 535 ## OptSubtree 992 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 220 (9) jump= -0.195775 0.808829 -0.435961 -0.342645 -12.6149 71.5042 -155.222 # jumping subtree containing T0136:W 302 (91) jump= -0.900113 -0.0991614 -0.284726 -0.314474 65.8798 -32.8158 -15.6662 # jumping subtree containing T0136:L 306 (95) jump= 0.984638 -0.0401528 0.166192 0.0354414 28.041 22.5697 -11.9772 # jumping subtree containing T0136:H 227 (16) jump= -0.816187 0.241541 -0.524852 0.00521305 134.797 46.4198 -49.5291 # jumping subtree containing T0136:L 306 (95) jump= 0.0136531 0.451308 0.32973 0.829104 114.932 109.874 -108.815 # jumping subtree containing T0136:A 297 (86) jump= 0.388529 -0.254508 0.0240788 -0.885263 25.386 24.2332 -6.47536 # Removing break before 47 # jumping subtree containing T0136:H 227 (16) jump= 0.797666 -0.135783 0.586798 -0.0309809 104.318 9.59076 -55.0639 # jumping subtree containing T0136:H 227 (16) jump= 0.455651 0.695873 0.257974 -0.491519 -89.5351 -37.0394 -131.84 # generation 88: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7467 cost/residue, 221 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 202 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 64 ## JiggleSubtree 550 ## OptSubtree 1011 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 297 (86) jump= -0.669444 0.621172 -0.282346 -0.29372 0.15134 125.418 -58.6926 # jumping subtree containing T0136:N 258 (47) jump= -0.691766 0.612945 0.244047 -0.293599 -84.2922 102.629 -67.2971 # jumping subtree containing T0136:W 302 (91) jump= -0.509243 -0.32189 0.147755 0.784364 -29.7874 60.9509 -39.2886 # jumping subtree containing T0136:E 277 (66) jump= 0.888827 0.416562 0.1747 0.077089 24.2514 -59.0322 -52.8425 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= -0.0613594 -0.785966 -0.13323 -0.600619 71.9724 73.3151 -124.093 # jumping subtree containing T0136:A 297 (86) jump= 0.986231 0.15108 0.0381665 0.0553749 16.1793 -59.9192 -11.2167 # jumping subtree containing T0136:W 302 (91) jump= -0.999997 4.22048e-05 -0.00150263 0.00211046 -0.113773 16.3501 -11.6918 # Removing break before 16 # generation 89: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7467 cost/residue, 221 clashes 0.115526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 351 ## TwoFragment 5 ## CrossOver 204 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 67 ## JiggleSubtree 553 ## OptSubtree 1030 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.0790654 0.036806 -0.251392 -0.963948 10.7887 67.6214 -12.2438 # jumping subtree containing T0136:E 277 (66) jump= 0.472708 -0.0367894 -0.161099 0.865587 8.71988 -34.1428 22.3284 # jumping subtree containing T0136:V 295 (84) jump= -0.550523 0.0292699 0.728256 0.407076 -68.3235 85.8158 -132.436 # jumping subtree containing T0136:K 250 (39) jump= -0.0367171 0.268141 -0.960742 -0.0610533 1.59409 8.17787 -250.722 # jumping subtree containing T0136:K 250 (39) jump= 0.756031 0.228052 0.513002 -0.336511 60.2232 -49.552 -58.4142 # jumping subtree containing T0136:L 306 (95) jump= -0.621252 0.20348 -0.733315 0.186791 92.4277 6.21147 -97.1031 # jumping subtree containing T0136:K 250 (39) jump= -0.724901 -0.649618 0.171303 -0.152217 4.25243 -120.059 -146.95 # jumping subtree containing T0136:A 297 (86) jump= 0.130189 0.382449 0.907305 -0.116536 33.6026 -31.4612 -192.838 # generation 90: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6873 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 212 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 69 ## JiggleSubtree 557 ## OptSubtree 1039 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= 0.94456 -0.197255 -0.188138 0.183034 -38.2117 -0.917057 -13.8356 # Removing break before 16 # jumping subtree containing T0136:A 297 (86) jump= 0.173857 0.600429 -0.771468 0.118721 -8.68205 -57.2322 -224.019 # Removing break before 91 # jumping subtree containing T0136:E 277 (66) jump= 0.0233784 0.498195 0.569137 -0.653711 -63.134 -68.4778 -77.5412 # jumping subtree containing T0136:P 256 (45) jump= -0.690035 0.193845 -0.404525 0.56801 97.2216 -26.8943 -32.7123 # jumping subtree containing T0136:H 227 (16) jump= 0.99684 -0.0528011 -0.0523458 -0.0279743 -18.0737 12.8427 3.96186 # jumping subtree containing T0136:H 227 (16) jump= 0.263445 0.753503 0.589755 -0.122554 -20.309 -57.5224 -190.531 # jumping subtree containing T0136:W 302 (91) jump= 0.998699 -0.0461724 0.000937526 0.0216058 -23.4053 13.2975 -14.7462 # jumping subtree containing T0136:E 277 (66) jump= 0.827604 -0.0371047 0.469596 -0.305245 78.5799 -18.5984 -35.7824 # generation 91: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6873 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 214 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 73 ## JiggleSubtree 561 ## OptSubtree 1058 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 306 (95) jump= -0.924193 -0.13384 0.0513347 0.354004 -31.67 -16.5903 5.8862 # jumping subtree containing T0136:L 221 (10) jump= -0.881358 0.122382 0.00821892 -0.456248 -12.3069 30.7993 12.943 # jumping subtree containing T0136:W 302 (91) jump= 0.147841 0.0364786 -0.115227 0.981598 15.9039 4.67586 -6.88941 # generation 92: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6863 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 216 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 73 ## JiggleSubtree 571 ## OptSubtree 1082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.764562 0.532833 -0.294905 0.211104 -47.3222 -107.762 -85.2853 # jumping subtree containing T0136:W 302 (91) jump= -0.999084 -0.0405301 0.00734373 -0.0116323 -3.03578 3.29734 24.2109 # jumping subtree containing T0136:L 306 (95) jump= -0.887062 0.373218 -0.118349 -0.244588 9.22688 54.0553 -14.4686 # jumping subtree containing T0136:H 227 (16) jump= 0.879641 -0.0450548 -0.251643 0.401096 -56.335 -35.4707 -24.0728 # jumping subtree containing T0136:A 297 (86) jump= -0.95286 -0.222706 0.19965 -0.0509853 -45.6383 -62.8239 -18.8729 # jumping subtree containing T0136:H 227 (16) jump= -0.243626 -0.123983 0.737125 0.617997 -24.3652 74.2054 -111.767 # jumping subtree containing T0136:W 302 (91) jump= 0.33161 -0.214495 -0.45326 0.799113 -52.0492 -68.7006 -48.9114 # Removing break before 91 # jumping subtree containing T0136:W 302 (91) jump= -0.767293 0.428162 0.475089 -0.0472125 -81.5278 40.1761 -61.4021 # Removing break before 47 # Removing break before 91 # generation 93: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6863 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 222 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 73 ## JiggleSubtree 579 ## OptSubtree 1092 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= -0.517171 -0.277242 0.120886 0.800661 -40.0939 2.6487 1.3816 # jumping subtree containing T0136:L 306 (95) jump= 0.256613 -0.701235 -0.340917 0.571134 -61.9707 -2.38657 -114.411 # jumping subtree containing T0136:W 302 (91) jump= 0.99987 -0.00769066 0.0139239 0.00252109 -3.76372 -8.74664 -0.638491 # jumping subtree containing T0136:W 302 (91) jump= -0.984837 0.0994625 0.112304 0.0871261 -26.6592 28.908 7.73214 # jumping subtree containing T0136:H 227 (16) jump= -0.0531016 -0.542598 0.569128 0.615516 -56.4216 54.5759 -129.677 # jumping subtree containing T0136:W 302 (91) jump= 0.962559 0.187723 0.164351 0.105969 34.2207 -36.2285 -5.41841 # jumping subtree containing T0136:W 302 (91) jump= -0.703136 0.430522 -0.481719 0.29698 111.435 37.4106 -75.333 # jumping subtree containing T0136:W 302 (91) jump= 0.899906 0.0541093 -0.0100968 0.432596 -3.62344 -22.3196 0.907053 # Removing break before 47 # jumping subtree containing T0136:W 302 (91) jump= -0.990049 0.0404201 0.126241 0.0472503 -27.3983 10.073 -12.524 # jumping subtree containing T0136:D 294 (83) jump= 0.557763 -0.346038 0.703552 -0.272347 112.126 19.5553 -112.221 # jumping subtree containing T0136:W 302 (91) jump= -0.892924 -0.447745 0.0308718 0.0354703 2.70334 -54.3777 -48.9297 # jumping subtree containing T0136:E 277 (66) jump= -0.693148 0.409633 0.589189 0.0678442 -100.635 75.2523 -100.114 # generation 94: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6863 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 222 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 76 ## JiggleSubtree 588 ## OptSubtree 1112 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= 0.773188 -0.378023 -0.468439 0.199607 -90.2497 20.5194 -57.4706 # jumping subtree containing T0136:W 302 (91) jump= 0.972675 -0.199432 -0.11709 0.0205055 -17.6655 57.0937 -7.83226 # generation 95: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6862 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 225 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 77 ## JiggleSubtree 598 ## OptSubtree 1127 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.303107 0.580163 -0.523739 -0.545191 -85.7005 51.7075 -113.631 # jumping subtree containing T0136:W 302 (91) jump= 0.0147099 0.130633 0.548785 -0.825563 7.71527 -113.266 -58.9068 # jumping subtree containing T0136:K 250 (39) jump= -0.986076 -0.0460279 -0.148968 -0.0578268 35.0637 6.65291 -7.75772 # jumping subtree containing T0136:W 302 (91) jump= -0.912675 -0.36291 0.041958 -0.183191 12.6106 -50.5054 -23.8238 # jumping subtree containing T0136:L 306 (95) jump= -0.67666 -0.0397969 0.73185 0.0703135 -81.9486 7.01841 -139.808 # jumping subtree containing T0136:H 227 (16) jump= 0.88871 -0.0403173 0.447127 0.0929887 72.9631 12.7836 -65.6472 # jumping subtree containing T0136:E 277 (66) jump= 0.966897 -0.162314 0.155373 0.120924 25.0866 6.06619 -22.1262 # jumping subtree containing T0136:W 302 (91) jump= 0.852696 -0.0275949 -0.233464 -0.466522 -55.5978 28.8008 -14.9643 # generation 96: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6862 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 232 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 82 ## JiggleSubtree 599 ## OptSubtree 1138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= 0.0815249 -0.131023 0.696754 -0.700515 43.5411 -106.268 -87.098 # jumping subtree containing T0136:K 250 (39) jump= -0.927795 0.00151024 -0.31505 -0.199843 62.1163 -4.49403 -35.6525 # jumping subtree containing T0136:W 302 (91) jump= 0.0963544 -0.708227 -0.488982 0.500027 -70.1836 -70.0749 -136.855 # jumping subtree containing T0136:W 302 (91) jump= 0.531892 0.68075 -0.388287 0.320786 -12.9829 -109.553 -133.719 # jumping subtree containing T0136:K 298 (87) jump= -0.331984 0.345505 0.821736 0.308485 -24.9373 56.9798 -140.397 # jumping subtree containing T0136:D 294 (83) jump= 0.506647 0.31888 -0.0687842 -0.798056 -58.4017 -53.6105 -22.3331 # generation 97: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6834 cost/residue, 220 clashes 0.125021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 241 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 86 ## JiggleSubtree 602 ## OptSubtree 1146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.302283 0.164319 -0.141399 -0.92824 -31.5754 53.9924 -32.6939 # jumping subtree containing T0136:K 250 (39) jump= 0.717525 -0.433814 -0.510648 -0.190266 -77.7623 86.6209 -125.088 # jumping subtree containing T0136:L 306 (95) jump= 0.494459 0.20723 0.401943 -0.742299 31.5089 -46.5249 -44.1798 # jumping subtree containing T0136:V 295 (84) jump= -0.806636 0.532074 0.0157972 -0.256876 -49.5547 71.8115 -78.5925 # jumping subtree containing T0136:A 244 (33) jump= 0.234722 0.689036 0.100693 0.67823 139.626 -14.5589 -118.172 # jumping subtree containing T0136:W 302 (91) jump= 0.14059 -0.00614218 0.917734 0.371431 -26.2335 80.9388 -176.923 # jumping subtree containing T0136:L 306 (95) jump= -0.986987 -0.0337942 -0.148207 -0.0524314 46.1794 -17.4701 8.42408 # jumping subtree containing T0136:W 302 (91) jump= -0.950558 0.16212 -0.116414 0.237916 12.2158 35.2844 -13.013 # jumping subtree containing T0136:W 302 (91) jump= 0.324539 -0.863619 0.0971983 -0.373349 54.6072 18.478 -161.817 # jumping subtree containing T0136:N 258 (47) jump= 0.890486 0.161292 0.363167 0.221649 101.66 -20.7072 -6.76202 # jumping subtree containing T0136:V 211 (0) jump= 0.994015 -0.0673803 -0.0452873 -0.0730984 7.13326 4.07299 -10.4819 # generation 98: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5825 cost/residue, 171 clashes 0.117056 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 352 ## TwoFragment 5 ## CrossOver 245 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 90 ## JiggleSubtree 603 ## OptSubtree 1161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= 0.515221 0.450497 0.175392 0.707699 89.5966 -4.83335 -53.2744 # jumping subtree containing T0136:K 250 (39) jump= -0.0344541 -0.146512 -0.258513 -0.954211 44.7869 58.1912 -8.09258 # Removing break before 47 # jumping subtree containing T0136:L 306 (95) jump= 0.385329 0.346242 0.777213 -0.35718 45.738 -94.6957 -156.929 # jumping subtree containing T0136:K 250 (39) jump= 0.120293 -0.927924 0.332832 0.117084 -13.6615 29.3811 -250.529 # jumping subtree containing T0136:W 302 (91) jump= 0.946236 -0.100487 -0.281468 -0.123758 -49.1855 12.2079 -39.0453 # jumping subtree containing T0136:W 302 (91) jump= 0.990944 -0.0727614 -0.0771315 0.0823762 -11.8375 35.9717 3.33374 # jumping subtree containing T0136:A 248 (37) jump= -0.886174 0.0719872 0.314708 0.332375 -67.5935 60.1097 -25.4141 # jumping subtree containing T0136:K 250 (39) jump= -0.429354 -0.102898 0.834589 0.329438 -83.7206 64.2341 -184.243 # jumping subtree containing T0136:K 250 (39) jump= -0.102561 0.0992735 -0.426174 0.89331 44.192 -75.7157 -64.0247 # jumping subtree containing T0136:N 258 (47) jump= -0.995434 0.022026 0.0238341 -0.0897615 6.49891 -21.5714 -8.62346 # jumping subtree containing T0136:W 302 (91) jump= 0.429188 0.640203 0.46895 -0.431305 -31.618 -96.521 -105.259 # generation 99: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4617 cost/residue, 172 clashes 0.117056 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 353 ## TwoFragment 5 ## CrossOver 249 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 92 ## JiggleSubtree 611 ## OptSubtree 1180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 306 (95) jump= 0.40451 -0.289058 0.518179 -0.695922 95.6703 -65.3573 -115.116 # Removing break before 95 # jumping subtree containing T0136:V 295 (84) jump= -0.729938 0.167209 0.576303 0.327273 -62.118 49.5066 -63.9838 # Removing break before 91 # jumping subtree containing T0136:L 306 (95) jump= -0.840738 0.476085 0.0256037 -0.256606 -53.1187 80.2999 -40.6892 # jumping subtree containing T0136:N 258 (47) jump= -0.0352815 -0.961525 0.267808 0.0500387 -23.5282 -22.4441 -196.583 # jumping subtree containing T0136:A 297 (86) jump= 0.491557 -0.731026 0.41828 -0.221392 58.026 45.9252 -197.081 # jumping subtree containing T0136:V 282 (71) jump= 0.688281 -0.443974 -0.256081 0.5134 -88.6049 7.20252 -95.3633 # jumping subtree containing T0136:K 250 (39) jump= 0.192015 0.908823 -0.252254 0.27118 65.1184 -43.9751 -175.376 # jumping subtree containing T0136:E 277 (66) jump= -0.49687 0.28622 0.317269 -0.75534 -78.4303 -72.6625 -43.7156 # jumping subtree containing T0136:W 302 (91) jump= 0.367371 0.52729 -0.539837 0.543673 27.2033 -84.7086 -89.8461 # jumping subtree containing T0136:N 258 (47) jump= 0.25522 0.343929 0.787292 -0.443562 27.8389 -119.97 -154.964 # generation 100: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.457 cost/residue, 174 clashes 0.117056 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 354 ## TwoFragment 5 ## CrossOver 252 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 93 ## JiggleSubtree 620 ## OptSubtree 1197 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_623205017.pdb -s /projects/compbio/tmp/to_scwrl_623205017.seq -o /projects/compbio/tmp/from_scwrl_623205017.pdb -a /projects/compbio/tmp/from_scwrl_623205017_a.pdb -b /projects/compbio/tmp/from_scwrl_623205017_b.pdb > /projects/compbio/tmp/scwrl_623205017.log # T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 65.051 cost/residue 174 clashes 0.117056 breaks # iteration 1 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.2897 cost/residue, 207 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 17 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.8796 cost/residue, 91 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 41 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.4357 cost/residue, 144 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 53 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.3147 cost/residue, 130 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 68 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.1832 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 88 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.1508 cost/residue, 160 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 106 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 15 # generation 7: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.9431 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 121 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.3184 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 138 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 260 (49) jump= -0.900848 -0.417288 0.0318132 -0.115466 22.498 4.54133 -7.73539 # generation 9: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.3184 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 155 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 17 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.349522 -0.511826 -0.211988 0.755599 -2.48042 -18.9137 12.0298 # generation 10: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.2162 cost/residue, 203 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 172 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 17 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.4768 cost/residue, 224 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 186 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 20 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 12 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.4768 cost/residue, 224 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 201 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 21 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 14 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.3189 cost/residue, 182 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 216 ## TwoFragment 8 ## CrossOver 2 ## CrossAndInsert 23 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 18 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.8621 cost/residue, 175 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 230 ## TwoFragment 8 ## CrossOver 2 ## CrossAndInsert 23 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 23 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 76 # generation 15: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.5929 cost/residue, 193 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 54 ## InsertFragment 242 ## TwoFragment 8 ## CrossOver 3 ## CrossAndInsert 23 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 29 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2925 cost/residue, 175 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 254 ## TwoFragment 9 ## CrossOver 3 ## CrossAndInsert 26 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 34 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.1494 cost/residue, 201 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 265 ## TwoFragment 9 ## CrossOver 4 ## CrossAndInsert 27 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 40 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 80 # Removing break before 28 # generation 18: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.7729 cost/residue, 228 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 276 ## TwoFragment 9 ## CrossOver 6 ## CrossAndInsert 27 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 48 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # generation 19: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6643 cost/residue, 207 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 285 ## TwoFragment 9 ## CrossOver 6 ## CrossAndInsert 28 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 56 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 41 # generation 20: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6568 cost/residue, 209 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 294 ## TwoFragment 9 ## CrossOver 6 ## CrossAndInsert 28 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 69 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.859337 0.414135 0.226748 -0.196512 -2.17374 33.4166 2.71358 # Removing break before 63 # generation 21: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4711 cost/residue, 201 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 302 ## TwoFragment 9 ## CrossOver 6 ## CrossAndInsert 29 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 78 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # generation 22: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4711 cost/residue, 201 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 302 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 29 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 94 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:V 211 (0) jump= 0.958023 -0.116124 -0.119808 0.23314 6.67552 42.1492 5.29151 # generation 23: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4711 cost/residue, 201 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 304 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 29 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 111 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # generation 24: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4444 cost/residue, 200 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 309 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 29 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 123 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.397723 -0.481776 -0.160233 -0.764221 -20.1985 43.12 30.2143 # Removing break before 42 # Removing break before 42 # Removing break before 42 # generation 25: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.935 cost/residue, 195 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 29 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 134 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.99875 0.0455262 0.0180498 -0.00996362 4.84444 -12.7783 -5.39278 # Removing break before 42 # generation 26: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.935 cost/residue, 195 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 322 ## TwoFragment 9 ## CrossOver 9 ## CrossAndInsert 30 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 147 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 261 (50) jump= -0.708936 0.175565 -0.660848 -0.172816 -5.15813 6.16534 -31.9076 # jumping subtree containing T0136:V 300 (89) jump= 0.91872 -0.380986 -0.0616202 0.0837026 19.4518 7.10564 -6.48153 # jumping subtree containing T0136:V 211 (0) jump= 0.263996 0.532823 -0.297866 0.746781 -9.10047 26.6022 -3.01245 # Removing break before 82 # Removing break before 42 # jumping subtree containing T0136:V 272 (61) jump= -0.130502 0.518809 -0.651064 0.538444 -1.46501 -10.0191 -11.0929 # generation 27: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7191 cost/residue, 180 clashes 0.00646282 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 327 ## TwoFragment 9 ## CrossOver 10 ## CrossAndInsert 30 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 160 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4987 cost/residue, 186 clashes 0.00646282 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 331 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 30 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 177 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 29: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4796 cost/residue, 199 clashes 0.00646282 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 339 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 31 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 191 ## OptSubtree 59 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # Removing break before 42 # generation 30: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3554 cost/residue, 193 clashes 0.00646281 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 340 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 31 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 213 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:V 300 (89) jump= 0.0708293 -0.241585 0.967134 0.0356607 45.0145 -14.533 -72.3625 # generation 31: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3547 cost/residue, 197 clashes 0.0138492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 342 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 31 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 232 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # Removing break before 42 # Removing break before 42 # generation 32: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0704 cost/residue, 192 clashes 0.00942655 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 345 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 31 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 257 ## OptSubtree 76 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # generation 33: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0703 cost/residue, 192 clashes 0.00942656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 345 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 31 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 283 ## OptSubtree 78 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:V 300 (89) jump= 0.939217 -0.267906 -0.0384974 -0.211227 10.9689 27.2187 -27.587 # jumping subtree containing T0136:V 300 (89) jump= 0.922852 -0.0325319 -0.0567979 -0.379552 32.6378 -1.13908 -9.49557 # generation 34: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7724 cost/residue, 150 clashes 0.00942652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 346 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 305 ## OptSubtree 84 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # Removing break before 42 # Removing break before 42 # generation 35: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7724 cost/residue, 150 clashes 0.00942654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 347 ## TwoFragment 9 ## CrossOver 13 ## CrossAndInsert 32 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 326 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 36: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7136 cost/residue, 151 clashes 0.00962049 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 349 ## TwoFragment 9 ## CrossOver 13 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 342 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 37: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6026 cost/residue, 149 clashes 0.00942654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 351 ## TwoFragment 9 ## CrossOver 13 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 359 ## OptSubtree 102 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # generation 38: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6026 cost/residue, 149 clashes 0.00942654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 351 ## TwoFragment 9 ## CrossOver 13 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 383 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.837371 -0.479101 -0.00393111 -0.263167 6.08892 5.07623 -9.34408 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:V 300 (89) jump= -0.261789 0.846429 -0.109847 -0.450509 -7.11042 6.84002 -17.161 # jumping subtree containing T0136:V 300 (89) jump= 0.736115 -0.486579 0.14562 0.447404 -18.2374 25.3769 4.21206 # Removing break moved up 3 to before 45 # Removing break before 42 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:S 253 (42) jump= -0.785086 0.0213983 -0.000468175 0.619017 55.9533 14.1331 -7.28735 # generation 39: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5262 cost/residue, 146 clashes 0.00962048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 354 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 406 ## OptSubtree 114 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 300 (89) jump= -0.685428 0.504298 0.170881 0.49666 70.5474 29.7336 -54.5031 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:V 300 (89) jump= -0.990907 -0.0897627 -0.100231 0.000144867 18.0478 -29.6037 -4.93197 # generation 40: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5262 cost/residue, 146 clashes 0.00962051 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 426 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # generation 41: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.0096205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 452 ## OptSubtree 123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # generation 42: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.0096205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 15 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 473 ## OptSubtree 125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 276 (65) jump= -0.694154 0.518582 -0.0319023 -0.498202 12.8111 -37.8384 25.319 # jumping subtree containing T0136:P 256 (45) jump= 0.985962 -0.16544 0.0224177 -0.00247572 -18.9711 -29.7921 -12.6426 # Removing break moved up 3 to before 45 # Removing break moved up 3 to before 45 # generation 43: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.00962051 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 16 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 491 ## OptSubtree 131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:M 228 (17) jump= -0.924986 -0.263496 -0.199565 0.187469 25.3694 32.4656 44.1484 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:S 253 (42) jump= -0.565425 -0.691403 0.186371 0.409295 15.7445 -31.0052 16.9574 # jumping subtree containing T0136:V 300 (89) jump= -0.884074 0.0769786 -0.460612 -0.0180005 8.72249 5.24414 44.9965 # generation 44: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.00962051 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 17 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 506 ## OptSubtree 139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # generation 45: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.00962047 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 17 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 525 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # generation 46: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.00962041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 17 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 542 ## OptSubtree 151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:I 234 (23) jump= 0.422465 0.571688 0.0564068 -0.70108 87.5344 -0.66477 43.3619 # generation 47: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.00962041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 18 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 560 ## OptSubtree 156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= -0.165742 -0.369117 0.593558 0.69568 113.834 -8.10971 58.855 # jumping subtree containing T0136:S 253 (42) jump= 0.267597 0.904096 -0.0702958 0.325669 -39.3889 -39.927 32.9939 # Removing break moved up 3 to before 45 # generation 48: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5261 cost/residue, 146 clashes 0.00962041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 355 ## TwoFragment 9 ## CrossOver 19 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 575 ## OptSubtree 164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # generation 49: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.287 cost/residue, 156 clashes 0.00962051 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 356 ## TwoFragment 9 ## CrossOver 24 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 590 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:L 246 (35) jump= -0.61561 0.130759 0.521345 0.576304 173.497 -14.6925 -26.9114 # jumping subtree containing T0136:D 240 (29) jump= -0.209175 0.854376 0.374976 0.292711 44.0034 -130.422 -8.32915 # jumping subtree containing T0136:V 300 (89) jump= 0.263556 0.867584 0.3124 -0.283272 56.0102 -78.8467 42.8102 # Removing break moved up 3 to before 45 # generation 50: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.287 cost/residue, 156 clashes 0.00962051 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 356 ## TwoFragment 9 ## CrossOver 26 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 604 ## OptSubtree 175 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:M 228 (17) jump= 0.71456 0.310166 0.321826 -0.538172 48.7921 17.6416 69.2992 # jumping subtree containing T0136:H 227 (16) jump= -0.726457 0.148158 -0.634709 0.21784 43.9827 32.9725 76.3024 # jumping subtree containing T0136:M 228 (17) jump= -0.724385 -0.439579 0.416359 -0.32967 21.8948 -6.47621 -58.3902 # generation 51: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.287 cost/residue, 156 clashes 0.00962058 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 356 ## TwoFragment 9 ## CrossOver 26 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 626 ## OptSubtree 186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 228 (17) jump= 0.162141 -0.251418 0.900779 -0.314795 110.129 44.9258 19.3601 # jumping subtree containing T0136:A 263 (52) jump= 0.919245 0.267845 -0.272006 -0.0962311 17.2113 10.7539 19.8026 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:M 228 (17) jump= 0.341815 0.663824 -0.4897 0.450216 34.7203 -4.38177 -48.8766 # generation 52: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2283 cost/residue, 153 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 358 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 634 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 246 (35) jump= -0.125423 -0.24558 0.253134 -0.927299 128.736 -75.2961 -30.9741 # Removing break moved up 3 to before 45 # generation 53: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2283 cost/residue, 153 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 358 ## TwoFragment 9 ## CrossOver 29 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 651 ## OptSubtree 207 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.37072 0.623443 -0.611661 0.315842 69.0503 50.3718 -43.8612 # Removing break moved up 3 to before 45 # generation 54: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2283 cost/residue, 153 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 358 ## TwoFragment 9 ## CrossOver 30 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 670 ## OptSubtree 218 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:A 263 (52) jump= -0.918714 -0.13079 0.34728 0.13511 40.2686 39.2534 -21.3252 # generation 55: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2283 cost/residue, 153 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 358 ## TwoFragment 9 ## CrossOver 31 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 691 ## OptSubtree 220 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 263 (52) jump= 0.752078 -0.482496 0.367766 0.257536 5.02701 -36.3953 48.7805 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:V 211 (0) jump= 0.309541 0.726388 0.586607 -0.180103 101.368 -110.161 90.7935 # jumping subtree containing T0136:M 228 (17) jump= 0.184724 0.362706 0.467285 -0.784835 174.243 -52.7762 45.7179 # jumping subtree containing T0136:S 231 (20) jump= -0.511491 -0.713933 0.430696 0.207793 -22.3662 -13.3096 39.6198 # jumping subtree containing T0136:S 253 (42) jump= -0.912893 -0.368082 0.0829837 -0.155745 -28.0005 -51.6099 13.2471 # generation 56: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2283 cost/residue, 153 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 358 ## TwoFragment 9 ## CrossOver 35 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 705 ## OptSubtree 226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 239 (28) jump= -0.821823 0.203767 -0.144271 0.512125 102.898 36.3993 -34.9823 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:V 300 (89) jump= -0.156985 -0.976606 -0.067277 0.13065 6.74258 -97 68.2246 # generation 57: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1943 cost/residue, 157 clashes 0.0225698 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 360 ## TwoFragment 9 ## CrossOver 38 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 719 ## OptSubtree 231 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:V 300 (89) jump= -0.0853168 0.751982 -0.627953 -0.181437 31.1253 20.446 18.9596 # generation 58: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1943 cost/residue, 157 clashes 0.0225697 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 360 ## TwoFragment 9 ## CrossOver 39 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 737 ## OptSubtree 236 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 228 (17) jump= -0.99852 -0.0037493 0.0542385 0.00120853 23.5705 -19.8266 -10.1209 # jumping subtree containing T0136:L 306 (95) jump= 0.990236 0.124463 -0.00848129 -0.0622028 28.8019 12.0529 -1.2328 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:V 308 (97) jump= 0.521442 -0.0737336 0.719774 -0.452313 104.486 1.98471 22.6346 # generation 59: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1782 cost/residue, 152 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 361 ## TwoFragment 9 ## CrossOver 39 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 765 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 228 (17) jump= -0.330555 0.629277 0.666148 -0.225813 40.2364 -45.4581 -48.1169 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:E 239 (28) jump= -0.54551 0.0853785 0.762819 -0.336505 67.671 -26.1392 -47.934 # jumping subtree containing T0136:A 263 (52) jump= 0.685868 -0.169779 0.695928 0.128234 21.939 10.2817 81.7794 # generation 60: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1782 cost/residue, 152 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 361 ## TwoFragment 9 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 780 ## OptSubtree 251 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 297 (86) jump= 0.785508 -0.069432 -0.614874 0.00929199 69.7601 -5.89062 -50.1092 # jumping subtree containing T0136:H 227 (16) jump= -0.80056 -0.209332 0.517822 -0.217127 40.6939 -3.73471 -33.1769 # Removing break moved up 3 to before 45 # Removing break moved up 3 to before 45 # generation 61: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1782 cost/residue, 152 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 361 ## TwoFragment 9 ## CrossOver 43 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 805 ## OptSubtree 257 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 228 (17) jump= 0.61944 0.567529 0.329609 0.430769 18.9754 -109.164 82.634 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:S 253 (42) jump= 0.221078 -0.0848802 -0.733069 -0.637597 166.499 -15.5677 -21.1693 # jumping subtree containing T0136:V 292 (81) jump= 0.979204 -0.106122 -0.142824 -0.0974635 5.1188 7.09975 -1.74556 # generation 62: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1782 cost/residue, 152 clashes 0.0165253 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 361 ## TwoFragment 9 ## CrossOver 44 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 823 ## OptSubtree 263 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.851668 0.39366 -0.344742 -0.0290842 -7.07985 12.2352 -48.5746 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:D 240 (29) jump= -0.449893 0.327163 -0.813919 0.167617 47.9854 17.4923 68.9599 # jumping subtree containing T0136:A 263 (52) jump= 0.287258 -0.355506 -0.877794 -0.143441 151.221 -46.171 -13.9424 # generation 63: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0587 cost/residue, 155 clashes 0.0182303 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 363 ## TwoFragment 9 ## CrossOver 46 ## CrossAndInsert 32 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 837 ## OptSubtree 269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.178408 -0.574327 -0.791287 0.110384 151.25 -140.923 11.7066 # jumping subtree containing T0136:M 228 (17) jump= 0.930739 -0.0924181 0.353733 -0.00747069 -20.2891 10.3845 8.73624 # jumping subtree containing T0136:A 263 (52) jump= -0.760857 -0.56326 -0.291925 0.136438 29.8698 -39.2418 82.1986 # jumping subtree containing T0136:M 228 (17) jump= -0.58312 0.405698 -0.360639 -0.604417 24.9629 -105.006 92.3377 # generation 64: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0587 cost/residue, 155 clashes 0.0182303 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 364 ## TwoFragment 9 ## CrossOver 46 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 849 ## OptSubtree 279 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 45 # Removing break moved up 3 to before 45 # Removing break moved up 3 to before 45 # Removing break moved up 3 to before 45 # generation 65: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0586 cost/residue, 155 clashes 0.0182304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 364 ## TwoFragment 9 ## CrossOver 46 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 875 ## OptSubtree 287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.400367 0.461981 -0.132759 0.780163 -8.1624 -146.378 -37.3064 # jumping subtree containing T0136:A 263 (52) jump= -0.514819 0.572205 -0.00425474 0.638376 74.6429 -74.7958 -86.575 # jumping subtree containing T0136:A 244 (33) jump= 0.446179 -0.113866 -0.885433 0.0629899 21.1794 11.7764 -56.9701 # generation 66: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8024 cost/residue, 148 clashes 0.0180546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 365 ## TwoFragment 9 ## CrossOver 50 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 891 ## OptSubtree 292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= 0.328059 0.575422 -0.0221899 0.748849 6.1777 -259.91 16.7482 # jumping subtree containing T0136:W 302 (91) jump= 0.68979 -0.360948 -0.382658 -0.497473 149.151 -57.8231 -63.5604 # jumping subtree containing T0136:D 301 (90) jump= -0.825666 -0.131125 -0.272824 -0.476077 -47.8043 -73.7815 44.5285 # Removing break moved up 3 to before 45 # generation 67: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8024 cost/residue, 148 clashes 0.0180546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 365 ## TwoFragment 9 ## CrossOver 51 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 904 ## OptSubtree 306 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 301 (90) jump= 0.807902 0.514331 0.247954 -0.145865 28.3605 -30.727 92.6268 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:D 301 (90) jump= -0.167744 -0.321425 0.0870882 -0.927881 11.8103 -118.333 5.38381 # jumping subtree containing T0136:I 247 (36) jump= -0.999995 -0.000798942 -0.000975616 -0.00305614 -21.6875 -4.05038 0.131835 # jumping subtree containing T0136:A 244 (33) jump= 0.799024 -0.383717 0.460569 0.0468811 -47.9532 -49.342 10.0738 # generation 68: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5761 cost/residue, 155 clashes 0.0255784 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 51 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 926 ## OptSubtree 315 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 301 (90) jump= -0.583448 0.734452 -0.0716061 0.339178 34.0333 -73.2653 -29.6981 # jumping subtree containing T0136:A 248 (37) jump= -0.148688 0.877025 0.164571 -0.426187 74.5209 -103.836 78.8512 # generation 69: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 51 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 941 ## OptSubtree 323 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:E 225 (14) jump= 0.622221 -0.161478 0.719668 0.26238 6.99176 -44.7945 118.37 # jumping subtree containing T0136:G 303 (92) jump= -0.999981 -0.00270992 0.00537839 -0.00105064 -10.1628 12.8252 -23.6147 # jumping subtree containing T0136:D 301 (90) jump= 0.00131304 0.0416309 0.995906 0.0802231 84.6347 3.93458 31.3818 # jumping subtree containing T0136:G 303 (92) jump= 0.999623 0.0156585 -0.0124291 -0.018799 0.223447 -23.6641 -0.169888 # Removing break before 42 # Removing break before 42 # Removing break before 42 # generation 70: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 51 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 962 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= 0.988265 0.0829825 0.0291817 -0.124879 18.2863 4.68673 10.3749 # Removing break before 42 # jumping subtree containing T0136:A 248 (37) jump= -0.417768 -0.537954 -0.1688 -0.712448 19.3604 -75.56 -0.413356 # Removing break before 42 # generation 71: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 51 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 981 ## OptSubtree 341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:G 303 (92) jump= -0.520601 0.0274133 0.447489 -0.72662 132.75 -65.0979 -27.1321 # jumping subtree containing T0136:A 263 (52) jump= 0.424679 -0.61603 -0.644529 -0.157278 99.6294 -111.807 -20.9076 # generation 72: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255785 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 52 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 995 ## OptSubtree 350 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:D 241 (30) jump= 0.665007 -0.417928 0.126125 0.605966 7.51405 -119.191 15.6455 # jumping subtree containing T0136:D 241 (30) jump= 0.0479578 -0.125208 0.401842 0.90584 5.4881 -171.092 56.8197 # Removing break before 92 # jumping subtree containing T0136:V 211 (0) jump= 0.985567 -0.121048 -0.03288 -0.11368 20.5149 22.5582 -15.6875 # jumping subtree containing T0136:G 303 (92) jump= -0.735003 0.0431813 -0.335191 0.587838 85.6887 -26.5813 5.56528 # generation 73: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255785 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 57 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1007 ## OptSubtree 357 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.999311 -0.0334439 0.0125209 -0.0100863 -7.52285 23.694 0.787962 # jumping subtree containing T0136:G 303 (92) jump= -0.947166 -0.262235 0.0995115 -0.155588 -6.56 17.9651 -2.58054 # generation 74: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255779 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 57 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1021 ## OptSubtree 367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:V 211 (0) jump= -0.889436 -0.409614 -0.139 -0.147646 -4.98209 -8.94727 79.3774 # jumping subtree containing T0136:G 303 (92) jump= -0.993781 -0.0796374 -0.0681468 -0.0375888 7.40081 -7.33911 34.1131 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:G 303 (92) jump= 0.703101 0.696564 0.117411 -0.0816221 29.0024 -61.5189 131.201 # jumping subtree containing T0136:V 211 (0) jump= -0.54216 0.0664438 -0.321726 -0.773395 74.8197 -111.964 63.7157 # generation 75: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255779 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 58 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1034 ## OptSubtree 377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.549712 -0.696052 0.386405 -0.253022 -53.7044 -101.32 -34.2728 # jumping subtree containing T0136:V 211 (0) jump= -0.0371442 -0.628167 0.426328 -0.649824 -29.5979 -113.634 -71.5878 # jumping subtree containing T0136:G 303 (92) jump= 0.90876 -0.240619 0.328589 0.0910384 -37.7012 -21.7176 -6.35238 # jumping subtree containing T0136:G 303 (92) jump= 0.858985 0.493993 -0.134399 -0.00724266 16.0674 -10.565 82.1902 # Removing break before 42 # jumping subtree containing T0136:D 241 (30) jump= 0.640323 0.565953 -0.292934 0.428805 -62.7391 -89.9316 -30.3373 # generation 76: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255779 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 62 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1047 ## OptSubtree 384 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= 0.372414 0.685326 -0.0161784 0.625599 -7.5304 -152.187 36.581 # jumping subtree containing T0136:A 263 (52) jump= -0.252486 -0.331096 -0.536975 -0.733678 45.1613 -150.847 104.231 # jumping subtree containing T0136:G 303 (92) jump= -0.00147259 -0.955663 -0.294215 0.0119836 37.6111 -165.918 52.3279 # jumping subtree containing T0136:A 263 (52) jump= -0.231725 -0.184336 0.349544 0.8889 76.2787 -118.713 53.9058 # jumping subtree containing T0136:G 303 (92) jump= 0.675031 0.56259 -0.370703 0.300673 38.8905 49.1988 42.0519 # jumping subtree containing T0136:G 303 (92) jump= 0.739289 0.536872 -0.341096 -0.221075 102.63 103.991 88.8526 # generation 77: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.0255779 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 64 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1055 ## OptSubtree 398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 78: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.025578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 65 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1068 ## OptSubtree 408 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 220 (9) jump= 0.747311 -0.212407 0.599723 0.191682 -17.0524 -45.1907 133.203 # jumping subtree containing T0136:A 248 (37) jump= -0.821114 0.0121014 0.540406 -0.183267 104.44 -23.0343 -51.4988 # Removing break before 42 # jumping subtree containing T0136:G 303 (92) jump= 0.999777 0.0142122 -0.00929765 -0.0125349 15.5243 -1.05914 -12.5005 # jumping subtree containing T0136:D 241 (30) jump= -0.125157 0.569748 -0.156622 -0.79699 17.2885 -133.176 21.3859 # jumping subtree containing T0136:S 253 (42) jump= -0.941075 0.230126 -0.186113 0.163652 13.5714 -26.7742 -26.7124 # generation 79: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5759 cost/residue, 155 clashes 0.025578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 366 ## TwoFragment 9 ## CrossOver 67 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1085 ## OptSubtree 413 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:G 303 (92) jump= 0.967535 -0.102828 0.193069 0.126595 -41.0069 -34.0728 15.5766 # generation 80: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2518 cost/residue, 157 clashes 0.0378642 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 367 ## TwoFragment 9 ## CrossOver 67 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1097 ## OptSubtree 424 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # generation 81: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2518 cost/residue, 157 clashes 0.0378641 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 368 ## TwoFragment 9 ## CrossOver 69 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1113 ## OptSubtree 429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:D 241 (30) jump= -0.784548 -0.384908 -0.479714 0.078772 69.8412 -17.6553 114.407 # Removing break before 42 # generation 82: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2518 cost/residue, 157 clashes 0.0378639 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 368 ## TwoFragment 9 ## CrossOver 70 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1139 ## OptSubtree 437 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.718634 0.48672 -0.079711 0.490219 -78.0382 -119.458 44.6436 # jumping subtree containing T0136:S 253 (42) jump= -0.432989 0.210513 0.579363 0.65768 175.509 -121.333 59.0555 # jumping subtree containing T0136:G 303 (92) jump= -0.945302 -0.019291 0.010353 -0.32546 -67.6022 -53.0619 10.6676 # Removing break before 42 # generation 83: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2509 cost/residue, 157 clashes 0.0378646 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 368 ## TwoFragment 9 ## CrossOver 72 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1151 ## OptSubtree 447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:E 277 (66) jump= 0.994134 0.0377498 -0.0740615 0.0691921 -2.98169 -10.2544 11.8082 # jumping subtree containing T0136:D 241 (30) jump= 0.718352 0.64124 -0.207183 -0.172794 2.21019 -115.636 164.356 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:G 303 (92) jump= 0.316234 -0.250999 -0.0429835 -0.913864 172.851 -125.034 -47.7561 # Removing break before 42 # generation 84: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2509 cost/residue, 157 clashes 0.0378642 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 368 ## TwoFragment 9 ## CrossOver 73 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1166 ## OptSubtree 455 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.97637 0.0140706 -0.202865 0.0731406 5.59526 3.377 -20.1895 # jumping subtree containing T0136:D 241 (30) jump= -0.418007 0.451354 0.67567 0.406226 168.523 -116.408 -9.25334 # jumping subtree containing T0136:I 296 (85) jump= -0.682496 -0.336915 0.260729 0.593892 148.942 -49.1658 124.436 # jumping subtree containing T0136:S 253 (42) jump= -0.94755 0.011967 0.206142 -0.243948 -78.1343 -32.6659 -52.5738 # generation 85: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2509 cost/residue, 157 clashes 0.0378642 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 368 ## TwoFragment 9 ## CrossOver 74 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1177 ## OptSubtree 467 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.82791 0.44493 -0.340425 0.0267076 -33.9015 -41.3311 -111.029 # jumping subtree containing T0136:G 303 (92) jump= 0.978072 0.124555 -0.163716 0.0325237 6.74709 -17.9219 10.8858 # jumping subtree containing T0136:I 296 (85) jump= 0.0569588 0.895141 0.126783 -0.423562 49.1523 -236.467 23.1228 # jumping subtree containing T0136:K 288 (77) jump= 0.965452 0.141842 0.206513 -0.0716621 54.5285 -13.2539 44.489 # jumping subtree containing T0136:K 288 (77) jump= -0.773407 -0.16151 0.596456 -0.14141 -14.5828 -28.7946 -9.60512 # Removing break moved up 3 to before 88 # generation 86: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2362 cost/residue, 153 clashes 0.0378642 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 369 ## TwoFragment 9 ## CrossOver 75 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1187 ## OptSubtree 479 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= 0.14367 -0.494986 -0.834503 0.194811 166.923 -98.9653 -46.6615 # jumping subtree containing T0136:I 296 (85) jump= 0.723249 -0.339962 -0.399926 -0.448771 159.367 -71.2777 -61.0871 # Removing break before 42 # jumping subtree containing T0136:G 303 (92) jump= -0.737053 -0.514219 -0.390085 -0.200414 25.071 -76.5024 158.288 # jumping subtree containing T0136:K 288 (77) jump= -0.959148 0.22177 0.0471226 0.16921 56.3764 20.0252 -51.6335 # jumping subtree containing T0136:D 241 (30) jump= 0.752173 -0.622901 -0.0744272 -0.201717 88.0235 -106.545 -155.201 # jumping subtree containing T0136:K 288 (77) jump= -0.0562681 -0.273811 0.959057 0.0455101 -37.3018 2.86641 6.03412 # Removing break before 42 # generation 87: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2362 cost/residue, 153 clashes 0.0378642 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 369 ## TwoFragment 9 ## CrossOver 76 ## CrossAndInsert 32 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1202 ## OptSubtree 487 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.997072 -0.027761 -0.00452728 0.0711093 -40.6177 -16.2541 10.2501 # jumping subtree containing T0136:V 211 (0) jump= -0.90709 -0.394453 0.0983276 -0.109203 -39.2699 -41.4212 104.476 # jumping subtree containing T0136:D 241 (30) jump= -0.188671 0.498049 -0.356666 0.767554 10.7865 -245.495 -137.822 # jumping subtree containing T0136:D 241 (30) jump= -0.451008 -0.631436 0.606147 0.174545 -18.8491 -53.1078 66.9481 # jumping subtree containing T0136:D 241 (30) jump= -0.0222946 -0.254505 -0.676731 -0.690482 169.322 -199.305 120.953 # Removing break moved up 3 to before 88 # generation 88: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2359 cost/residue, 156 clashes 0.0323899 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 369 ## TwoFragment 9 ## CrossOver 76 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1219 ## OptSubtree 502 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.747703 -0.565786 0.0127341 -0.347367 110.46 -109.079 -170.16 # jumping subtree containing T0136:K 288 (77) jump= -0.5237 -0.119375 0.342352 0.770898 152.662 -175.187 115.775 # jumping subtree containing T0136:S 253 (42) jump= 0.610033 0.235728 0.548311 0.521197 -10.0237 -71.3946 84.5254 # jumping subtree containing T0136:D 241 (30) jump= -0.782078 -0.583783 0.100759 0.193388 47.8405 -87.4488 183.649 # jumping subtree containing T0136:G 303 (92) jump= 0.928458 0.116571 -0.294879 0.193452 -42.6764 -18.2642 -21.5383 # Removing break before 42 # jumping subtree containing T0136:D 241 (30) jump= 0.890166 -0.150321 0.385985 0.189798 -26.4999 3.83079 -32.7305 # generation 89: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2359 cost/residue, 156 clashes 0.0323899 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 369 ## TwoFragment 9 ## CrossOver 78 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1233 ## OptSubtree 514 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:D 241 (30) jump= 0.739013 -0.200805 -0.22685 0.601728 -62.0305 -92.7489 -82.7971 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:S 253 (42) jump= -0.413827 -0.757199 0.450169 0.229664 -42.7578 -142.858 120.804 # jumping subtree containing T0136:P 274 (63) jump= -0.970367 0.167659 0.132835 0.112397 50.2685 -28.0255 -36.3509 # generation 90: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2359 cost/residue, 156 clashes 0.0323899 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 369 ## TwoFragment 9 ## CrossOver 80 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1248 ## OptSubtree 521 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= 0.00946599 0.532699 0.84097 -0.0944032 146.204 -106.4 -27.4974 # jumping subtree containing T0136:D 241 (30) jump= -0.678352 0.206643 -0.083824 -0.700079 4.47499 -140.566 -3.27112 # jumping subtree containing T0136:V 211 (0) jump= -0.0860785 -0.133629 0.172417 -0.972114 31.9604 -243.78 -58.5792 # jumping subtree containing T0136:K 288 (77) jump= -0.968227 0.114989 -0.0185478 0.221293 72.1632 -25.9969 -21.7397 # jumping subtree containing T0136:D 241 (30) jump= 0.842081 -0.533328 -0.0750475 0.028779 -0.64099 -17.9933 -94.1278 # jumping subtree containing T0136:E 277 (66) jump= -0.291381 -0.367583 -0.566476 -0.677558 43.7761 -186.596 126.158 # jumping subtree containing T0136:K 288 (77) jump= -0.514963 0.713178 0.285806 -0.380139 -10.5807 -209.353 -140.236 # generation 91: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2343 cost/residue, 156 clashes 0.0325292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 370 ## TwoFragment 9 ## CrossOver 82 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1261 ## OptSubtree 529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.33292 0.204955 0.693062 0.605659 155.171 -74.1264 5.63254 # jumping subtree containing T0136:D 241 (30) jump= -0.925571 -0.369269 0.052938 0.0644666 -0.512991 -46.1804 48.2683 # jumping subtree containing T0136:D 241 (30) jump= -0.968163 0.127703 -0.212961 -0.031623 36.6543 0.816613 27.7574 # generation 92: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2243 cost/residue, 155 clashes 0.0323899 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 370 ## TwoFragment 9 ## CrossOver 84 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1274 ## OptSubtree 538 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 263 (52) jump= -0.699676 -0.0798031 -0.334533 0.626237 153.914 -89.2151 -13.9589 # jumping subtree containing T0136:V 282 (71) jump= 0.920667 -0.316775 0.0342751 -0.225503 52.4884 9.53092 -63.4715 # jumping subtree containing T0136:V 211 (0) jump= 0.586175 0.379172 0.611169 -0.372962 107.573 -94.7299 -7.95232 # Removing break moved up 3 to before 88 # jumping subtree containing T0136:S 253 (42) jump= 0.74185 0.0220784 -0.649557 -0.16507 17.117 0.0371307 -16.3144 # generation 93: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1726 cost/residue, 165 clashes 0.0323899 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 371 ## TwoFragment 9 ## CrossOver 84 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1296 ## OptSubtree 544 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.931978 0.206169 -0.178557 0.238807 -92.6886 -50.6617 39.3288 # jumping subtree containing T0136:D 241 (30) jump= 0.674875 -0.53059 0.495477 -0.132368 -26.7451 -69.6232 -154.413 # jumping subtree containing T0136:A 263 (52) jump= -0.511086 -0.420285 0.425361 -0.61743 -90.5447 -158.85 -25.724 # generation 94: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8802 cost/residue, 187 clashes 0.0201039 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 371 ## TwoFragment 9 ## CrossOver 86 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1316 ## OptSubtree 557 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.994109 0.0588023 0.0516447 0.0749883 -12.5311 -3.86634 5.3803 # jumping subtree containing T0136:I 296 (85) jump= -0.214444 0.195362 -0.850917 -0.437936 -51.4674 -60.3696 125.538 # Removing break moved up 3 to before 88 # jumping subtree containing T0136:E 220 (9) jump= -0.29271 -0.0950248 0.358867 -0.881195 -24.8651 -208.969 -90.8397 # jumping subtree containing T0136:K 288 (77) jump= 0.577661 0.52628 -0.0225982 -0.62356 118.139 -135.107 110.256 # generation 95: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8775 cost/residue, 187 clashes 0.0201037 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 371 ## TwoFragment 9 ## CrossOver 87 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1335 ## OptSubtree 573 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.587655 -0.317258 0.736592 0.106964 -2.62058 -0.161511 -10.6597 # jumping subtree containing T0136:E 277 (66) jump= -0.930927 -0.36069 -0.0342839 -0.0458533 -6.71105 -28.7235 101.262 # jumping subtree containing T0136:K 288 (77) jump= 0.366839 0.746776 0.451631 -0.322155 158.023 -172.117 71.4913 # Removing break before 42 # jumping subtree containing T0136:I 296 (85) jump= -0.0951509 0.101513 0.63512 0.759779 82.7592 -150.925 137.302 # generation 96: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.6426 cost/residue, 183 clashes 0.0300317 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 374 ## TwoFragment 9 ## CrossOver 88 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1357 ## OptSubtree 581 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= -0.702518 -0.109174 0.567078 0.415899 86.9013 -24.6138 53.1876 # jumping subtree containing T0136:K 288 (77) jump= -0.122095 -0.944388 -0.234151 0.195951 76.7271 -229.61 31.0713 # jumping subtree containing T0136:A 263 (52) jump= -0.631406 0.458233 -0.600864 -0.174102 -79.3551 -72.2681 -45.7394 # generation 97: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.6425 cost/residue, 183 clashes 0.0300321 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 374 ## TwoFragment 9 ## CrossOver 88 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1385 ## OptSubtree 590 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 268 (57) jump= -0.764097 0.580865 -0.258285 0.109729 -35.9961 -69.9771 -100.126 # jumping subtree containing T0136:P 268 (57) jump= 0.971569 0.0930093 -0.170841 0.134964 -50.7864 3.41275 2.02696 # jumping subtree containing T0136:D 280 (69) jump= 0.329622 -0.0509242 0.865397 -0.373958 34.9331 -16.3159 -44.9877 # jumping subtree containing T0136:D 241 (30) jump= -0.187216 0.553579 -0.448731 -0.676122 -63.7057 -109.307 22.8932 # Removing break before 92 # jumping subtree containing T0136:P 268 (57) jump= 0.147951 0.360934 -0.785012 0.481242 -37.0133 -102.427 -130.337 # generation 98: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.6425 cost/residue, 183 clashes 0.0300321 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 374 ## TwoFragment 9 ## CrossOver 89 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1401 ## OptSubtree 601 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 263 (52) jump= -0.978209 -0.0924491 0.0865485 0.164527 13.703 13.8444 23.7923 # Removing break before 92 # Removing break before 92 # jumping subtree containing T0136:P 268 (57) jump= -0.839883 0.380672 -0.385333 -0.0347004 -16.822 -33.0313 -74.0474 # generation 99: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.6425 cost/residue, 183 clashes 0.0300313 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 374 ## TwoFragment 9 ## CrossOver 90 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1416 ## OptSubtree 609 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= -0.662278 0.387912 0.281865 -0.575729 -56.1962 -161.4 -129.31 # jumping subtree containing T0136:P 268 (57) jump= 0.0397659 0.580909 -0.636115 -0.506281 -27.8305 -133.52 98.5568 # jumping subtree containing T0136:A 263 (52) jump= -0.766377 -0.536394 -0.332192 0.120811 57.1437 -78.7789 107.461 # Removing break before 42 # jumping subtree containing T0136:G 303 (92) jump= 0.298389 -0.242031 -0.922166 0.0446709 124.976 -48.8527 38.8195 # jumping subtree containing T0136:E 220 (9) jump= 0.706697 0.267197 -0.358456 0.548357 -94.4108 -98.7295 -31.4872 # generation 100: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.6425 cost/residue, 183 clashes 0.0300313 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 374 ## TwoFragment 9 ## CrossOver 93 ## CrossAndInsert 32 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1429 ## OptSubtree 617 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1036791468.pdb -s /projects/compbio/tmp/to_scwrl_1036791468.seq -o /projects/compbio/tmp/from_scwrl_1036791468.pdb -a /projects/compbio/tmp/from_scwrl_1036791468_a.pdb -b /projects/compbio/tmp/from_scwrl_1036791468_b.pdb > /projects/compbio/tmp/scwrl_1036791468.log # T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 61.6483 cost/residue 183 clashes 0.0300313 breaks # iteration 2 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 73.6535 cost/residue, 307 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 22 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 71.4723 cost/residue, 229 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 37 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 225 (14) jump= 0.441542 0.138804 -0.526964 -0.7128 3.8887 -31.8157 20.5853 # generation 3: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 70.9906 cost/residue, 206 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 61 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 70.7127 cost/residue, 173 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 79 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 70.1756 cost/residue, 175 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 99 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.8784 cost/residue, 148 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 110 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.7149 cost/residue, 152 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 122 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 16 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.5686 cost/residue, 160 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 141 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 17 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.305 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 159 ## TwoFragment 1 ## CrossOver 3 ## CrossAndInsert 18 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.2886 cost/residue, 172 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 179 ## TwoFragment 1 ## CrossOver 4 ## CrossAndInsert 18 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.7702 cost/residue, 214 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 196 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 21 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.6048 cost/residue, 204 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 214 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 21 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.6048 cost/residue, 204 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 230 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 22 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.3831 cost/residue, 236 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 242 ## TwoFragment 3 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 11 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.3831 cost/residue, 236 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 255 ## TwoFragment 3 ## CrossOver 5 ## CrossAndInsert 28 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 14 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.2491 cost/residue, 205 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 274 ## TwoFragment 3 ## CrossOver 5 ## CrossAndInsert 29 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 17 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.121 cost/residue, 202 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 290 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 29 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 20 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 52 # generation 18: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.4081 cost/residue, 196 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 301 ## TwoFragment 4 ## CrossOver 6 ## CrossAndInsert 33 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 23 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 23 # generation 19: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.4081 cost/residue, 196 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 315 ## TwoFragment 4 ## CrossOver 7 ## CrossAndInsert 35 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 29 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.4081 cost/residue, 196 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 331 ## TwoFragment 4 ## CrossOver 8 ## CrossAndInsert 35 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 31 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 23 # generation 21: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.8257 cost/residue, 155 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 341 ## TwoFragment 4 ## CrossOver 9 ## CrossAndInsert 36 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 37 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 72 # generation 22: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.5948 cost/residue, 176 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 353 ## TwoFragment 4 ## CrossOver 11 ## CrossAndInsert 36 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 45 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 23: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.5024 cost/residue, 172 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 360 ## TwoFragment 4 ## CrossOver 12 ## CrossAndInsert 36 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 54 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.4571 cost/residue, 180 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 368 ## TwoFragment 4 ## CrossOver 12 ## CrossAndInsert 36 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 64 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.4571 cost/residue, 180 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 374 ## TwoFragment 4 ## CrossOver 14 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 73 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 297 (86) jump= 0.868581 0.097008 -0.0786661 0.47955 -20.7273 -6.4007 -4.10813 # Removing break before 74 # Removing break before 72 # generation 26: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.4571 cost/residue, 180 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 377 ## TwoFragment 4 ## CrossOver 15 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 86 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.4571 cost/residue, 180 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 383 ## TwoFragment 4 ## CrossOver 16 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 100 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.632439 0.245599 0.673303 -0.29388 -13.4203 11.3252 7.39432 # generation 28: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.2444 cost/residue, 173 clashes 0.0214393 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 388 ## TwoFragment 4 ## CrossOver 17 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 115 ## OptSubtree 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:V 295 (84) jump= -0.560819 -0.230703 0.756993 0.243351 -58.9382 -12.2769 56.3134 # Removing break before 74 # Removing break before 74 # Removing break before 74 # generation 29: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.2444 cost/residue, 173 clashes 0.0214393 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 392 ## TwoFragment 4 ## CrossOver 19 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 127 ## OptSubtree 29 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # generation 30: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.1431 cost/residue, 170 clashes 0.0214393 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 395 ## TwoFragment 4 ## CrossOver 20 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 140 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:D 285 (74) jump= 0.208718 0.857041 -0.471077 0.00194638 -8.13484 13.9257 3.28216 # Removing break before 74 # generation 31: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0707 cost/residue, 184 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 398 ## TwoFragment 4 ## CrossOver 20 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 155 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= -0.999752 -0.00239954 -0.0195899 -0.0103386 6.10162 -4.78947 -26.8966 # jumping subtree containing T0136:N 267 (56) jump= 0.973414 -0.017582 -0.12259 -0.192688 18.0398 5.09483 -3.18683 # Removing break before 74 # Removing break before 74 # generation 32: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0707 cost/residue, 184 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 400 ## TwoFragment 4 ## CrossOver 23 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 170 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # Removing break before 74 # generation 33: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0707 cost/residue, 184 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 402 ## TwoFragment 4 ## CrossOver 24 ## CrossAndInsert 38 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 185 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:D 285 (74) jump= 0.899858 0.0369383 -0.276968 -0.334932 -5.38442 -20.8338 -14.0762 # generation 34: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0649 cost/residue, 184 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 402 ## TwoFragment 4 ## CrossOver 24 ## CrossAndInsert 38 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 200 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # Removing break before 74 # generation 35: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0635 cost/residue, 186 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 403 ## TwoFragment 4 ## CrossOver 24 ## CrossAndInsert 38 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 215 ## OptSubtree 70 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 221 (10) jump= -0.381535 -0.2722 -0.0321384 0.882783 -28.6178 -24.9673 -7.31708 # jumping subtree containing T0136:V 295 (84) jump= 0.677883 0.0932261 -0.519613 0.51165 -32.3108 29.4443 23.7003 # Removing break before 74 # Removing break before 74 # Removing break before 74 # generation 36: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0355 cost/residue, 187 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 403 ## TwoFragment 4 ## CrossOver 25 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 233 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.61681 0.140867 -0.641773 -0.433392 -44.5179 30.2271 -62.5671 # jumping subtree containing T0136:D 285 (74) jump= -0.999645 -0.0125532 -0.0230009 -0.00471777 -3.49005 -19.9123 -4.19835 # generation 37: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0355 cost/residue, 187 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 403 ## TwoFragment 4 ## CrossOver 26 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 249 ## OptSubtree 80 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:G 232 (21) jump= -0.242755 -0.247031 -0.690774 0.634726 -23.3407 -19.2033 -7.45296 # jumping subtree containing T0136:D 285 (74) jump= 0.857899 0.243799 0.442628 0.0930095 -25.8657 9.8495 -6.16043 # generation 38: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0159 cost/residue, 187 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 404 ## TwoFragment 4 ## CrossOver 28 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 263 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # Removing break before 74 # jumping subtree containing T0136:V 211 (0) jump= 0.262125 0.194171 -0.943514 0.0580477 -61.4013 -14.4114 43.1481 # generation 39: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0159 cost/residue, 187 clashes 0.0169445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 404 ## TwoFragment 4 ## CrossOver 28 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 282 ## OptSubtree 95 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 221 (10) jump= 0.999991 0.00188836 0.00319522 -0.0022447 -3.40618 -17.2368 -11.5353 # Removing break before 74 # jumping subtree containing T0136:D 285 (74) jump= -0.976053 0.00863008 -0.146401 -0.160662 5.45234 11.1763 11.4301 # jumping subtree containing T0136:V 211 (0) jump= -0.877307 0.252805 -0.177638 0.367242 29.0251 -22.5313 5.58888 # generation 40: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8928 cost/residue, 184 clashes 0.0117985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 408 ## TwoFragment 4 ## CrossOver 30 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 297 ## OptSubtree 103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 310 (99) jump= 0.187663 0.942403 0.0684622 -0.268278 0.144644 4.33468 8.42207 # jumping subtree containing T0136:N 259 (48) jump= 0.948321 0.067441 0.0371327 -0.307832 23.042 -9.00532 16.3075 # generation 41: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8928 cost/residue, 184 clashes 0.0117985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 408 ## TwoFragment 4 ## CrossOver 31 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 310 ## OptSubtree 113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 220 (9) jump= 0.967356 0.118251 -0.102271 -0.199447 -1.50888 -9.44286 23.9573 # Removing break before 74 # Removing break before 74 # Removing break before 74 # generation 42: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8928 cost/residue, 184 clashes 0.0117985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 408 ## TwoFragment 4 ## CrossOver 32 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 329 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # Removing break before 74 # generation 43: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8564 cost/residue, 185 clashes 0.0117985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 408 ## TwoFragment 4 ## CrossOver 35 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 344 ## OptSubtree 126 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.532566 0.359306 0.746823 0.17184 -48.9436 30.123 4.49923 # Removing break before 74 # jumping subtree containing T0136:V 211 (0) jump= 0.998361 0.0525714 -0.0151546 -0.0167849 18.2309 20.1745 1.83475 # generation 44: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8564 cost/residue, 185 clashes 0.0117985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 408 ## TwoFragment 4 ## CrossOver 36 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 361 ## OptSubtree 132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= -0.966227 -0.122464 -0.163332 0.157261 19.3232 -13.5418 0.175109 # jumping subtree containing T0136:V 211 (0) jump= -0.991898 0.0936132 -0.051764 -0.0685264 -10.848 -11.7988 1.10882 # Removing break before 74 # Removing break before 74 # generation 45: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.7804 cost/residue, 203 clashes 0.0117985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 409 ## TwoFragment 4 ## CrossOver 37 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 379 ## OptSubtree 140 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:V 211 (0) jump= -0.895429 0.303853 0.291648 0.144295 10.1666 -19.4412 35.4726 # generation 46: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.7804 cost/residue, 203 clashes 0.0117985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 410 ## TwoFragment 4 ## CrossOver 38 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 390 ## OptSubtree 151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= -0.980192 -0.162389 -0.0587967 -0.0969325 -15.724 28.3405 2.57219 # jumping subtree containing T0136:E 307 (96) jump= 0.753237 -0.654876 -0.0573989 -0.0218289 5.16598 -39.0769 -20.063 # generation 47: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.7804 cost/residue, 203 clashes 0.0117984 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 410 ## TwoFragment 4 ## CrossOver 38 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 411 ## OptSubtree 163 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:E 261 (50) jump= -0.323268 -0.765826 0.0508429 -0.553556 -24.5823 12.4926 22.6011 # generation 48: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.7804 cost/residue, 203 clashes 0.0117984 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 410 ## TwoFragment 4 ## CrossOver 40 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 429 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # Removing break before 74 # Removing break before 74 # jumping subtree containing T0136:V 211 (0) jump= 0.993005 -0.0698597 0.0505592 0.0806471 6.3178 -16.0503 7.86593 # generation 49: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.7101 cost/residue, 192 clashes 0.0117984 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 412 ## TwoFragment 4 ## CrossOver 41 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 441 ## OptSubtree 176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:V 211 (0) jump= -0.844213 0.144959 0.406402 -0.318009 -10.9812 -14.5388 -13.9423 # jumping subtree containing T0136:D 285 (74) jump= -0.448797 -0.331185 0.0274091 0.829546 -5.67884 -100.479 -21.3178 # Removing break before 74 # generation 50: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5324 cost/residue, 197 clashes 0.0273606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 413 ## TwoFragment 4 ## CrossOver 43 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 453 ## OptSubtree 185 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.515004 -0.549742 0.618539 0.223526 -48.9378 -61.8621 56.1221 # Removing break before 74 # jumping subtree containing T0136:Q 257 (46) jump= -0.118984 0.564344 -0.816918 0.00166641 -97.5532 -35.6851 34.2178 # generation 51: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5324 cost/residue, 197 clashes 0.0273606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 413 ## TwoFragment 4 ## CrossOver 45 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 472 ## OptSubtree 194 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= -0.723859 -0.292164 0.305612 0.545224 -16.9984 -63.2453 59.8828 # jumping subtree containing T0136:L 306 (95) jump= -0.980806 0.0994521 -0.0780267 0.14846 23.7725 -9.68046 2.08679 # jumping subtree containing T0136:D 215 (4) jump= -0.0896704 -0.226657 0.191849 0.950673 -71.6958 -68.8761 24.5193 # generation 52: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5324 cost/residue, 197 clashes 0.0273606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 413 ## TwoFragment 4 ## CrossOver 45 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 492 ## OptSubtree 202 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= -0.829816 -0.165348 0.289244 0.447665 41.1768 -32.7844 20.1276 # jumping subtree containing T0136:V 211 (0) jump= -0.910377 -0.0104832 0.397166 -0.115597 -15.0952 -16.0185 20.8719 # generation 53: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5324 cost/residue, 197 clashes 0.0273606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 413 ## TwoFragment 4 ## CrossOver 45 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 512 ## OptSubtree 206 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.278674 0.618381 0.451035 0.580098 -77.9357 -10.8186 132.814 # Removing break before 48 # Removing break before 74 # jumping subtree containing T0136:N 259 (48) jump= -0.900423 -0.106362 0.360974 0.218227 -1.56044 -30.7212 23.5448 # Removing break before 48 # Removing break before 74 # jumping subtree containing T0136:V 211 (0) jump= -0.609986 0.566681 0.0162511 0.553648 -15.8913 -132.138 26.7723 # generation 54: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5322 cost/residue, 197 clashes 0.0273606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 414 ## TwoFragment 4 ## CrossOver 46 ## CrossAndInsert 40 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 525 ## OptSubtree 215 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # Removing break before 48 # jumping subtree containing T0136:P 256 (45) jump= 0.298027 0.877949 0.354211 0.122145 50.6408 -68.5599 46.6074 # jumping subtree containing T0136:D 285 (74) jump= 0.868 0.406295 -0.171836 -0.227977 24.6109 -35.5383 55.572 # generation 55: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.515 cost/residue, 160 clashes 0.0273607 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 414 ## TwoFragment 4 ## CrossOver 46 ## CrossAndInsert 41 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 541 ## OptSubtree 222 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= -0.0180272 0.731158 -0.669016 0.132289 -100.821 -79.4048 -29.7104 # jumping subtree containing T0136:N 259 (48) jump= 0.735577 -0.066975 0.108419 0.665347 -65.5681 -3.3456 9.23484 # jumping subtree containing T0136:D 285 (74) jump= -0.602148 0.3192 0.421785 0.598019 -32.5686 -56.5641 77.4403 # jumping subtree containing T0136:D 285 (74) jump= -0.0637691 -0.929979 0.31898 0.171246 -67.4365 -181.548 -49.4877 # generation 56: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4294 cost/residue, 190 clashes 0.0273607 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 415 ## TwoFragment 4 ## CrossOver 46 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 561 ## OptSubtree 232 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= -0.99739 0.022469 0.0393094 -0.0562357 -30.8684 -7.82838 -16.6375 # generation 57: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4293 cost/residue, 190 clashes 0.0273606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 416 ## TwoFragment 4 ## CrossOver 46 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 582 ## OptSubtree 241 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 267 (56) jump= -0.985897 -0.0134325 0.132807 -0.100945 -0.633993 38.1666 33.1328 # jumping subtree containing T0136:D 285 (74) jump= 0.834992 -0.292182 -0.417929 0.206769 -19.9538 43.8204 -9.99481 # jumping subtree containing T0136:V 282 (71) jump= 0.964437 -0.246659 -0.037669 0.087185 -39.0055 6.4434 -25.5266 # Removing break before 48 # jumping subtree containing T0136:V 211 (0) jump= -0.942713 0.217414 -0.251346 0.0291323 -4.43389 -17.7509 -44.1351 # jumping subtree containing T0136:N 233 (22) jump= 0.876125 -0.374053 0.112197 -0.282669 29.0124 -35.3376 -42.3304 # generation 58: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4293 cost/residue, 190 clashes 0.0273606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 416 ## TwoFragment 4 ## CrossOver 46 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 604 ## OptSubtree 249 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.390501 -0.47469 -0.0253691 0.788375 -129.741 10.011 -77.6398 # jumping subtree containing T0136:D 285 (74) jump= 0.130917 -0.449962 0.0177066 0.883222 -58.6881 -84.4302 -40.1515 # generation 59: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4285 cost/residue, 190 clashes 0.0273607 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 416 ## TwoFragment 4 ## CrossOver 48 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 623 ## OptSubtree 252 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= -0.992308 0.0997266 0.0731012 0.00594622 9.43931 17.7551 -4.13471 # jumping subtree containing T0136:N 259 (48) jump= -0.601441 0.224948 -0.374158 0.669084 -4.45973 -118.378 -56.1695 # Removing break before 48 # jumping subtree containing T0136:E 225 (14) jump= 0.988112 -0.116209 -0.00295323 0.100603 -3.37039 15.0037 -12.2713 # generation 60: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4285 cost/residue, 190 clashes 0.0273605 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 416 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 639 ## OptSubtree 259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= 0.882559 0.22598 -0.0237834 0.411651 -78.9032 -4.60221 44.6253 # jumping subtree containing T0136:S 231 (20) jump= -0.633907 -0.106448 -0.337359 -0.687764 -88.295 4.00161 -4.79915 # generation 61: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4116 cost/residue, 179 clashes 0.0273605 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 417 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 661 ## OptSubtree 268 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= 0.942723 0.193513 0.110189 0.248364 -10.0088 -9.2596 19.4785 # Removing break before 48 # Removing break before 48 # jumping subtree containing T0136:N 259 (48) jump= 0.410827 -0.217101 0.601264 -0.650053 -55.6769 -85.964 -89.3194 # generation 62: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.231 cost/residue, 196 clashes 0.0441161 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 418 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 676 ## OptSubtree 276 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= 0.987633 -0.0786388 -0.121817 0.0596487 -34.5961 4.94992 -5.03709 # Removing break before 48 # generation 63: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.0778 cost/residue, 189 clashes 0.0341836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 419 ## TwoFragment 4 ## CrossOver 51 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 703 ## OptSubtree 280 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= -0.841611 -0.114596 0.316373 0.422453 -28.9713 -35.9427 33.4168 # jumping subtree containing T0136:D 285 (74) jump= 0.905904 0.101832 -0.355838 -0.205786 -31.5961 -24.8424 35.5278 # generation 64: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.0778 cost/residue, 189 clashes 0.0341838 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 419 ## TwoFragment 4 ## CrossOver 52 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 727 ## OptSubtree 285 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= -0.420512 -0.639343 0.445795 -0.46441 -97.827 -156.704 8.7058 # generation 65: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.7907 cost/residue, 145 clashes 0.0341836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 421 ## TwoFragment 4 ## CrossOver 52 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 749 ## OptSubtree 294 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= 0.0447435 -0.132802 0.819391 0.555841 -166.55 6.62616 -36.8795 # generation 66: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.7153 cost/residue, 147 clashes 0.0341836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 422 ## TwoFragment 4 ## CrossOver 53 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 763 ## OptSubtree 302 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= 0.791436 0.210965 0.210337 -0.533743 49.3352 -92.4733 -15.8762 # jumping subtree containing T0136:N 270 (59) jump= -0.951589 0.13968 -0.232834 -0.14407 -6.54116 30.816 -49.6224 # jumping subtree containing T0136:D 285 (74) jump= -0.628939 -0.487129 0.255017 -0.549643 -98.1839 -68.5085 35.696 # Removing break before 74 # jumping subtree containing T0136:D 285 (74) jump= -0.523516 -0.684335 -0.234345 -0.450221 1.82014 -74.1956 24.8616 # jumping subtree containing T0136:S 273 (62) jump= -0.965991 0.140329 -0.140987 0.165204 7.21564 -7.49036 -36.9437 # jumping subtree containing T0136:E 277 (66) jump= -0.208625 -0.835495 0.460859 -0.214552 -81.1598 -179.798 -35.1776 # generation 67: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.7152 cost/residue, 147 clashes 0.0341836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 422 ## TwoFragment 4 ## CrossOver 53 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 787 ## OptSubtree 312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= 0.927641 0.234421 -0.00510484 0.290693 -14.5818 8.59065 30.7117 # generation 68: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.7152 cost/residue, 147 clashes 0.0341836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 422 ## TwoFragment 4 ## CrossOver 54 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 806 ## OptSubtree 322 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= 0.930468 -0.0974641 0.144133 -0.322422 60.1982 -46.7736 -26.9769 # jumping subtree containing T0136:D 285 (74) jump= 0.763992 0.497952 -0.390823 0.124972 -69.5458 -60.6959 74.9026 # Removing break before 74 # jumping subtree containing T0136:V 211 (0) jump= 0.986815 0.0832397 -0.113508 0.0798997 -25.4322 0.0781386 44.7559 # jumping subtree containing T0136:D 285 (74) jump= 0.308053 0.186831 0.40246 -0.84156 -112.182 -116.18 -91.4963 # jumping subtree containing T0136:D 285 (74) jump= 0.986274 -0.0757177 -0.141706 -0.0380739 -16.237 22.3328 3.01008 # jumping subtree containing T0136:V 211 (0) jump= 0.313044 -0.41437 -0.823327 0.228983 -63.0932 13.0652 -89.2867 # Removing break before 48 # Removing break before 48 # generation 69: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6768 cost/residue, 165 clashes 0.0341836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 423 ## TwoFragment 4 ## CrossOver 54 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 822 ## OptSubtree 329 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= 0.366121 -0.445282 -0.519117 -0.631028 -37.6265 -23.4229 21.1828 # Removing break before 48 # jumping subtree containing T0136:D 285 (74) jump= 0.427951 -0.0302544 0.878984 0.208156 -81.0229 21.2122 -75.0793 # generation 70: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6768 cost/residue, 165 clashes 0.0341836 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 423 ## TwoFragment 4 ## CrossOver 54 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 839 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= 0.979608 -0.0384001 -0.179664 -0.0813357 -15.2918 -13.3633 28.9042 # Removing break before 48 # jumping subtree containing T0136:A 263 (52) jump= -0.680124 -0.15707 -0.346664 0.626566 8.90256 -116.134 -43.1945 # generation 71: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6768 cost/residue, 165 clashes 0.0341833 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 423 ## TwoFragment 4 ## CrossOver 54 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 865 ## OptSubtree 344 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= 0.991179 0.0733316 -0.0881393 0.0664711 -2.37883 -7.29743 23.4003 # jumping subtree containing T0136:V 211 (0) jump= -0.992378 -0.0894912 0.0571713 0.062524 26.4467 -17.7378 21.8805 # jumping subtree containing T0136:D 285 (74) jump= 0.446244 0.102189 0.831257 -0.315334 22.5247 -50.2091 -102.118 # Removing break before 74 # Removing break before 74 # Removing break before 74 # generation 72: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.588 cost/residue, 172 clashes 0.0341837 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 424 ## TwoFragment 4 ## CrossOver 54 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 880 ## OptSubtree 354 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= -0.367043 -0.28047 -0.403329 -0.7899 -89.6124 -48.3784 41.8504 # jumping subtree containing T0136:D 285 (74) jump= -0.989347 0.0946795 -0.102542 0.0414034 17.8409 -9.86842 -18.0873 # Removing break before 48 # Removing break before 74 # generation 73: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.588 cost/residue, 172 clashes 0.0341834 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 424 ## TwoFragment 4 ## CrossOver 56 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 895 ## OptSubtree 361 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 230 (19) jump= -0.022591 -0.339006 -0.89882 -0.276926 -55.6932 43.5803 -18.2296 # jumping subtree containing T0136:V 211 (0) jump= -0.740237 0.573491 0.192042 -0.293729 -29.1671 -14.7137 -111.131 # jumping subtree containing T0136:D 285 (74) jump= 0.974041 -0.155464 0.0900901 0.137694 -14.217 -2.02244 -35.1432 # generation 74: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.588 cost/residue, 172 clashes 0.0341835 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 424 ## TwoFragment 4 ## CrossOver 57 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 915 ## OptSubtree 373 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.872192 -0.395616 0.247942 0.145923 -16.2287 13.0978 -42.9628 # jumping subtree containing T0136:V 211 (0) jump= -0.860897 -0.30664 -0.163506 0.371611 36.6868 -69.1006 21.5455 # Removing break before 48 # jumping subtree containing T0136:N 259 (48) jump= 0.68681 -0.0483726 0.0673658 -0.72209 8.41012 -114.757 -29.8777 # jumping subtree containing T0136:R 293 (82) jump= -0.46865 -0.168985 -0.819203 0.28411 61.8879 -40.6518 -73.9208 # jumping subtree containing T0136:D 285 (74) jump= 0.534531 -0.181624 -0.697582 -0.441212 -9.1955 6.90707 16.8658 # Removing break before 48 # jumping subtree containing T0136:D 285 (74) jump= 0.261855 0.630597 -0.0241562 -0.730202 -72.0771 -159.548 -40.9829 # Removing break before 74 # generation 75: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5643 cost/residue, 169 clashes 0.0341835 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 426 ## TwoFragment 4 ## CrossOver 58 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 931 ## OptSubtree 378 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= 0.186196 0.0936369 0.85587 -0.473339 -39.6583 -72.2937 -157.596 # jumping subtree containing T0136:D 285 (74) jump= -0.348292 0.471533 -0.784083 0.203872 -69.29 -100.954 -151.107 # jumping subtree containing T0136:D 285 (74) jump= -0.531271 0.479194 0.605905 -0.347855 -68.6365 -17.5011 -100.418 # generation 76: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5643 cost/residue, 169 clashes 0.0341835 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 426 ## TwoFragment 4 ## CrossOver 59 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 950 ## OptSubtree 386 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.914307 0.245302 -0.272056 -0.172786 -44.5487 -50.0858 35.4843 # generation 77: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5365 cost/residue, 166 clashes 0.0350658 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 427 ## TwoFragment 4 ## CrossOver 59 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 975 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.970421 -0.146911 -0.19107 -0.0138745 18.0688 -28.8066 -15.9226 # Removing break before 48 # jumping subtree containing T0136:D 285 (74) jump= -0.981507 0.137906 -0.132605 0.00642328 -15.1708 8.17414 -47.9385 # jumping subtree containing T0136:D 285 (74) jump= -0.874005 -0.266714 0.275118 -0.298813 -47.313 -19.0061 20.6094 # generation 78: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5365 cost/residue, 166 clashes 0.0350657 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 427 ## TwoFragment 4 ## CrossOver 62 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 998 ## OptSubtree 396 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.961774 0.10754 -0.211482 0.136752 7.7683 -6.3013 -52.7133 # Removing break before 48 # jumping subtree containing T0136:V 211 (0) jump= 0.677213 -0.690622 -0.243632 0.0711879 -8.81783 -13.873 -80.2432 # generation 79: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5365 cost/residue, 166 clashes 0.0350658 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 427 ## TwoFragment 4 ## CrossOver 63 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1020 ## OptSubtree 407 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= 0.968324 0.0502054 0.146523 0.195857 -27.7436 3.88984 19.3969 # jumping subtree containing T0136:N 267 (56) jump= 0.95977 0.0544232 0.138399 -0.238169 42.983 -52.0548 -28.5229 # Removing break before 48 # jumping subtree containing T0136:D 271 (60) jump= -0.699359 -0.173739 0.560226 0.408483 -53.6925 -47.3578 32.1422 # Removing break before 48 # generation 80: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5142 cost/residue, 167 clashes 0.035066 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 64 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1036 ## OptSubtree 417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 284 (73) jump= -0.645812 -0.516364 0.539824 0.157749 -92.9909 -117.808 87.0747 # jumping subtree containing T0136:L 252 (41) jump= -0.976266 -0.171314 0.096766 -0.0905105 -28.6545 -31.284 11.0529 # generation 81: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5141 cost/residue, 167 clashes 0.0350657 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 65 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1050 ## OptSubtree 429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # Removing break before 48 # generation 82: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5141 cost/residue, 167 clashes 0.0350658 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 65 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1072 ## OptSubtree 441 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:E 307 (96) jump= 0.0468525 0.175798 0.885771 0.426978 -118.371 38.2717 -7.3628 # jumping subtree containing T0136:E 277 (66) jump= 0.0571022 0.0119023 -0.401298 -0.914089 -119.555 -68.2938 21.3893 # jumping subtree containing T0136:N 267 (56) jump= 0.805163 -0.493999 -0.298841 0.135539 -36.8 3.66326 -44.3853 # jumping subtree containing T0136:I 230 (19) jump= -0.96464 0.245565 -0.0218139 -0.0932245 -13.7426 10.4728 -58.8687 # generation 83: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5141 cost/residue, 167 clashes 0.0350658 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 65 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1089 ## OptSubtree 450 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # generation 84: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5141 cost/residue, 167 clashes 0.0350661 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 66 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1105 ## OptSubtree 457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.554906 -0.0731862 0.345097 0.753413 -79.3204 -113.615 37.7234 # generation 85: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5141 cost/residue, 167 clashes 0.0350655 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 67 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1118 ## OptSubtree 467 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # jumping subtree containing T0136:V 211 (0) jump= -0.665934 -0.18467 -0.379785 -0.614974 -69.5041 26.9315 32.7032 # jumping subtree containing T0136:N 267 (56) jump= 0.815805 0.569307 -0.0999369 0.0191142 -40.1281 -86.0228 70.8903 # generation 86: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4821 cost/residue, 157 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 429 ## TwoFragment 4 ## CrossOver 69 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1127 ## OptSubtree 479 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.254473 -0.183276 0.196256 -0.929052 -91.5843 -147.699 16.1659 # jumping subtree containing T0136:D 285 (74) jump= -0.62716 0.08048 -0.762992 0.134303 -56.8714 -34.9083 -122.126 # generation 87: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4821 cost/residue, 157 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 429 ## TwoFragment 4 ## CrossOver 70 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1143 ## OptSubtree 486 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 267 (56) jump= 0.931713 0.298671 -0.0717076 -0.193818 47.2344 -73.8886 64.5614 # jumping subtree containing T0136:N 267 (56) jump= -0.996428 -0.0288627 0.079312 0.00278821 0.223971 1.47616 1.55939 # jumping subtree containing T0136:N 267 (56) jump= 0.152733 -0.0867757 0.596099 0.783459 -112.24 -87.5484 61.6859 # jumping subtree containing T0136:N 270 (59) jump= -0.134144 0.746634 0.630409 0.164705 114.807 -75.5857 -64.9094 # jumping subtree containing T0136:E 277 (66) jump= 0.551753 0.770859 0.156934 -0.276977 36.4141 -202.152 32.5937 # generation 88: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.482 cost/residue, 157 clashes 0.0350658 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 429 ## TwoFragment 4 ## CrossOver 71 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1161 ## OptSubtree 500 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:N 267 (56) jump= -0.740485 -0.599182 -0.270055 -0.140474 2.10383 -83.1481 53.0401 # jumping subtree containing T0136:A 244 (33) jump= -0.982841 -0.154761 -0.0541357 -0.0845092 -3.53826 12.2786 44.4392 # jumping subtree containing T0136:E 307 (96) jump= -0.995931 0.0119609 -0.0667842 -0.0593193 -3.55439 -5.15529 -11.3071 # jumping subtree containing T0136:V 211 (0) jump= 0.989727 0.0848957 -0.114844 -0.0066104 -28.209 -2.69499 48.0003 # generation 89: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4816 cost/residue, 157 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 430 ## TwoFragment 4 ## CrossOver 72 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1169 ## OptSubtree 514 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.84171 0.00724714 0.327735 0.429025 35.7369 -88.8077 51.8777 # jumping subtree containing T0136:N 259 (48) jump= -0.863571 -0.0544074 -0.323202 -0.383178 -51.6481 1.48668 36.0774 # jumping subtree containing T0136:N 267 (56) jump= -0.495408 -0.868048 0.0268158 0.0185735 -22.2792 -178.907 34.9844 # jumping subtree containing T0136:V 211 (0) jump= 0.870487 -0.134296 0.42356 -0.211693 20.4903 -23.4863 -88.604 # generation 90: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4234 cost/residue, 168 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 432 ## TwoFragment 4 ## CrossOver 72 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1178 ## OptSubtree 527 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:E 307 (96) jump= -0.14303 -0.953684 0.00170664 -0.264625 21.3939 -223.863 -8.17236 # Removing break before 48 # Removing break before 48 # jumping subtree containing T0136:D 285 (74) jump= -0.762298 0.30567 0.434492 0.369708 53.0847 -43.5858 14.1493 # Removing break before 48 # jumping subtree containing T0136:E 277 (66) jump= -0.805519 0.377188 -0.429391 -0.156502 -77.42 -4.15943 -120.173 # Removing break before 48 # generation 91: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4234 cost/residue, 168 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 432 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1200 ## OptSubtree 536 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 74 # jumping subtree containing T0136:D 285 (74) jump= 0.317146 -0.53439 -0.329488 -0.710833 27.2125 -148.876 59.5338 # jumping subtree containing T0136:V 211 (0) jump= -0.99971 0.010911 -0.0214644 -0.000830763 7.81195 -8.3812 -7.92865 # jumping subtree containing T0136:N 267 (56) jump= 0.999966 0.00262066 -0.00722589 0.00283949 -11.7598 22.9595 16.0875 # generation 92: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4233 cost/residue, 168 clashes 0.0350655 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 432 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1224 ## OptSubtree 546 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # jumping subtree containing T0136:G 222 (11) jump= 0.96201 -0.260532 -0.0776874 0.0250033 14.0953 6.78801 -58.4085 # jumping subtree containing T0136:N 267 (56) jump= 0.598018 -0.145328 -0.774894 0.1442 -74.2895 13.0836 -59.5817 # jumping subtree containing T0136:N 267 (56) jump= -0.872245 0.314575 0.3721 -0.0421092 -20.2944 35.6033 -61.6656 # jumping subtree containing T0136:K 309 (98) jump= 0.711581 -0.158349 0.0683715 -0.681105 90.6919 -113.13 -22.0026 # jumping subtree containing T0136:V 266 (55) jump= 0.0767717 -0.6765 -0.361193 0.637177 -14.1931 -137.057 -130.355 # generation 93: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4233 cost/residue, 168 clashes 0.0350655 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 432 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1243 ## OptSubtree 554 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= -0.497489 0.129532 0.848224 0.127445 -14.795 3.09132 0.612806 # Removing break before 48 # jumping subtree containing T0136:N 267 (56) jump= 0.728954 -0.587398 -0.00692552 -0.351485 71.9392 -83.3574 -107 # jumping subtree containing T0136:G 311 (100) jump= 0.867758 0.157304 -0.198176 0.427759 -111.29 -85.2955 -3.04134 # jumping subtree containing T0136:K 309 (98) jump= -0.94456 0.16013 0.0491125 -0.282406 -82.8865 -0.707736 -16.8295 # jumping subtree containing T0136:E 277 (66) jump= 0.967212 -0.190642 0.00465254 0.167733 -35.0845 14.2707 -27.8333 # generation 94: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4122 cost/residue, 162 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 433 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1255 ## OptSubtree 565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= 0.00900116 0.293644 0.896745 -0.33097 -1.26431 -53.6928 -132.934 # jumping subtree containing T0136:N 267 (56) jump= 0.916479 0.26362 -0.0420539 -0.297997 21.7146 -88.7737 61.0472 # jumping subtree containing T0136:E 277 (66) jump= -0.0730517 0.366238 -0.925278 0.0662803 -120.28 -65.5261 -63.2766 # jumping subtree containing T0136:K 309 (98) jump= -0.133815 -0.617655 -0.737184 -0.239071 39.1844 -53.8626 2.80275 # jumping subtree containing T0136:K 309 (98) jump= 0.694482 -0.151821 -0.502971 0.491595 -109.655 -22.6367 -63.0071 # jumping subtree containing T0136:N 267 (56) jump= -0.885218 -0.259744 -0.0819574 -0.377101 -81.8599 -8.69425 42.7642 # Removing break before 48 # generation 95: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.35 cost/residue, 160 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 435 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1265 ## OptSubtree 577 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 246 (35) jump= -0.360736 -0.532383 0.346916 -0.682706 -131.395 -170.376 -12.0443 # Removing break before 48 # jumping subtree containing T0136:E 277 (66) jump= 0.562006 -0.493427 0.307511 0.588316 -154.128 -108.462 -98.3905 # jumping subtree containing T0136:E 307 (96) jump= 0.917709 0.288883 -0.04274 0.269316 -66.6417 -55.6432 75.3771 # generation 96: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.3499 cost/residue, 160 clashes 0.035065 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 435 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1291 ## OptSubtree 586 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= -0.232848 0.793767 0.488319 0.277959 80.095 -134.264 -20.2249 # jumping subtree containing T0136:N 267 (56) jump= -0.137704 -0.264475 -0.943905 0.141896 -3.05564 -29.7837 -40.1317 # jumping subtree containing T0136:E 307 (96) jump= 0.84816 0.466437 -0.251119 -0.00091566 -41.3311 -52.9762 89.2356 # jumping subtree containing T0136:V 211 (0) jump= 0.719197 -0.0418828 0.337122 -0.606095 108.562 -147.843 -97.0748 # Removing break before 48 # jumping subtree containing T0136:E 277 (66) jump= -0.957418 -0.28279 0.0385515 -0.0435258 9.16905 -26.1191 65.9409 # generation 97: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.3499 cost/residue, 160 clashes 0.0350656 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 435 ## TwoFragment 4 ## CrossOver 75 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1309 ## OptSubtree 599 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= 0.825495 0.130145 0.537522 -0.11265 18.1695 -32.1408 -57.1964 # Removing break before 74 # generation 98: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.3499 cost/residue, 160 clashes 0.0350649 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 435 ## TwoFragment 4 ## CrossOver 75 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1322 ## OptSubtree 610 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= 0.729504 -0.206492 -0.364224 0.540857 -138.717 -30.0997 -71.6112 # jumping subtree containing T0136:N 267 (56) jump= -0.542223 -0.706659 0.418987 0.17629 -107.45 -171.142 99.2993 # generation 99: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.3499 cost/residue, 160 clashes 0.0350649 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 435 ## TwoFragment 4 ## CrossOver 75 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1341 ## OptSubtree 615 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= 0.784104 -0.123697 -0.247757 -0.555424 79.1391 -74.2084 33.3423 # jumping subtree containing T0136:V 292 (81) jump= 0.338831 -0.183675 0.304459 -0.871069 -2.28447 -190.027 -50.8173 # jumping subtree containing T0136:D 285 (74) jump= 0.997151 0.0357207 -0.0626607 0.0220862 -10.0041 -22.1854 -5.20929 # generation 100: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.2668 cost/residue, 158 clashes 0.043599 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 436 ## TwoFragment 4 ## CrossOver 76 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1353 ## OptSubtree 625 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1898142086.pdb -s /projects/compbio/tmp/to_scwrl_1898142086.seq -o /projects/compbio/tmp/from_scwrl_1898142086.pdb -a /projects/compbio/tmp/from_scwrl_1898142086_a.pdb -b /projects/compbio/tmp/from_scwrl_1898142086_b.pdb > /projects/compbio/tmp/scwrl_1898142086.log # T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA-scwrl 63.821 cost/residue 158 clashes 0.043599 breaks # iteration 3 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al8 73.5082 cost/residue, 237 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 21 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al4+1fchA-T0136-local-adpstyle5.pw.a2m.gz:1fchA 72.7098 cost/residue, 256 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 38 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1 71.6392 cost/residue, 197 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 56 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1 71.2521 cost/residue, 167 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 78 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.9655 cost/residue, 185 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 93 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.909 cost/residue, 184 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 112 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.4283 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 132 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.0221 cost/residue, 176 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 145 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.8634 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 37 ## InsertFragment 161 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.8634 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 39 ## InsertFragment 173 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 18 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.5321 cost/residue, 186 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 42 ## InsertFragment 190 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 18 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.5312 cost/residue, 186 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 45 ## InsertFragment 200 ## TwoFragment 5 ## CrossOver 6 ## CrossAndInsert 21 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 14 # generation 13: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.3202 cost/residue, 191 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 45 ## InsertFragment 216 ## TwoFragment 5 ## CrossOver 7 ## CrossAndInsert 23 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.3202 cost/residue, 191 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 48 ## InsertFragment 230 ## TwoFragment 5 ## CrossOver 7 ## CrossAndInsert 27 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.2473 cost/residue, 149 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 49 ## InsertFragment 248 ## TwoFragment 5 ## CrossOver 9 ## CrossAndInsert 28 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 8 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # generation 16: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.1598 cost/residue, 174 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 50 ## InsertFragment 263 ## TwoFragment 5 ## CrossOver 10 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 12 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.8271 cost/residue, 161 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 50 ## InsertFragment 281 ## TwoFragment 6 ## CrossOver 11 ## CrossAndInsert 29 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 14 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.7748 cost/residue, 173 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 53 ## InsertFragment 297 ## TwoFragment 6 ## CrossOver 12 ## CrossAndInsert 30 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 15 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.7748 cost/residue, 173 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 54 ## InsertFragment 307 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 33 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 18 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # generation 20: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.0885 cost/residue, 156 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 54 ## InsertFragment 314 ## TwoFragment 7 ## CrossOver 18 ## CrossAndInsert 34 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 26 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 77 # generation 21: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.0885 cost/residue, 156 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 57 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 20 ## CrossAndInsert 35 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 31 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.8587 cost/residue, 158 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 21 ## CrossAndInsert 38 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 37 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.8189 cost/residue, 150 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 351 ## TwoFragment 7 ## CrossOver 21 ## CrossAndInsert 39 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 44 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 77 # generation 24: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.8189 cost/residue, 150 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 61 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 24 ## CrossAndInsert 39 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 51 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.444861 -0.164662 -0.880258 0.0114744 51.1043 16.5799 -16.4537 # generation 25: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.8189 cost/residue, 150 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 369 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 39 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 56 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 77 # Removing break before 63 # generation 26: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.6595 cost/residue, 163 clashes 0.0182602 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 378 ## TwoFragment 7 ## CrossOver 33 ## CrossAndInsert 39 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 64 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 85 # Removing break before 63 # Removing break before 77 # Removing break before 64 # generation 27: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0973 cost/residue, 146 clashes 0.00848505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 63 ## InsertFragment 381 ## TwoFragment 7 ## CrossOver 36 ## CrossAndInsert 40 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 74 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 28: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9239 cost/residue, 142 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 393 ## TwoFragment 7 ## CrossOver 39 ## CrossAndInsert 41 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 77 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 63 # generation 29: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9239 cost/residue, 142 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 402 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 41 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 87 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 36 # Removing break before 64 # Removing break before 34 # generation 30: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8323 cost/residue, 152 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 407 ## TwoFragment 7 ## CrossOver 48 ## CrossAndInsert 42 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 96 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # jumping subtree containing T0136:I 247 (36) jump= 0.734331 0.0962125 0.0678675 0.668502 30.6659 -2.43949 20.1434 # generation 31: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6184 cost/residue, 174 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 414 ## TwoFragment 7 ## CrossOver 49 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 106 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # jumping subtree containing T0136:P 256 (45) jump= -0.301539 0.526892 -0.794638 -0.00324244 45.9133 2.51304 7.07691 # Removing break before 34 # Removing break before 34 # jumping subtree containing T0136:V 211 (0) jump= 0.999655 0.000815449 0.00121643 0.026242 -17.9189 -12.3406 -12.469 # generation 32: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6184 cost/residue, 174 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 418 ## TwoFragment 7 ## CrossOver 52 ## CrossAndInsert 46 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 117 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # generation 33: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6184 cost/residue, 174 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 424 ## TwoFragment 7 ## CrossOver 55 ## CrossAndInsert 51 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 124 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # Removing break before 34 # Removing break before 34 # generation 34: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6184 cost/residue, 174 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 424 ## TwoFragment 7 ## CrossOver 59 ## CrossAndInsert 51 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 142 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # Removing break before 34 # Removing break before 34 # generation 35: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.5555 cost/residue, 151 clashes 0.0120098 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 427 ## TwoFragment 7 ## CrossOver 64 ## CrossAndInsert 51 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 158 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # generation 36: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4641 cost/residue, 170 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 428 ## TwoFragment 7 ## CrossOver 65 ## CrossAndInsert 51 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 177 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # generation 37: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4641 cost/residue, 170 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 428 ## TwoFragment 7 ## CrossOver 69 ## CrossAndInsert 52 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 196 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # Removing break before 34 # generation 38: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4641 cost/residue, 170 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 430 ## TwoFragment 7 ## CrossOver 69 ## CrossAndInsert 52 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 216 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # jumping subtree containing T0136:Q 257 (46) jump= 0.0820502 0.769528 -0.100671 -0.625268 -16.0065 89.2238 9.86239 # Removing break before 34 # generation 39: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4641 cost/residue, 170 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 430 ## TwoFragment 7 ## CrossOver 69 ## CrossAndInsert 52 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 240 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # generation 40: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3012 cost/residue, 178 clashes 0.0120097 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 431 ## TwoFragment 7 ## CrossOver 72 ## CrossAndInsert 52 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 258 ## OptSubtree 29 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # Removing break before 34 # Removing break before 34 # generation 41: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1881 cost/residue, 168 clashes 0.0194348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 432 ## TwoFragment 7 ## CrossOver 77 ## CrossAndInsert 52 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 275 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # generation 42: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1881 cost/residue, 168 clashes 0.0194348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 438 ## TwoFragment 7 ## CrossOver 77 ## CrossAndInsert 52 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 294 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break moved up 3 to before 85 # Removing break before 34 # generation 43: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1391 cost/residue, 173 clashes 0.0192201 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 439 ## TwoFragment 7 ## CrossOver 79 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 311 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # generation 44: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0563 cost/residue, 178 clashes 0.0194349 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 439 ## TwoFragment 7 ## CrossOver 83 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 325 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.897681 -0.177344 0.161089 0.369822 -16.4117 19.3048 -7.78406 # jumping subtree containing T0136:Q 257 (46) jump= -0.218262 0.295207 -0.665198 -0.650174 83.184 62.3946 -18.4948 # generation 45: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0563 cost/residue, 178 clashes 0.0194349 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 439 ## TwoFragment 7 ## CrossOver 84 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 345 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 85 # Removing break moved up 3 to before 38 # generation 46: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0563 cost/residue, 178 clashes 0.0194349 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 440 ## TwoFragment 7 ## CrossOver 85 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 365 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # jumping subtree containing T0136:R 293 (82) jump= -0.0381246 -0.0750747 -0.987813 0.130902 -30.297 17.324 -0.155514 # Removing break moved up 3 to before 85 # generation 47: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7426 cost/residue, 181 clashes 0.0266453 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 440 ## TwoFragment 7 ## CrossOver 90 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 379 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # jumping subtree containing T0136:Q 257 (46) jump= -0.243042 0.251843 0.783609 0.513286 -55.751 42.4478 -39.2004 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:E 245 (34) jump= -0.0324875 0.492412 0.81726 -0.297593 4.37631 17.6763 15.2426 # generation 48: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7426 cost/residue, 181 clashes 0.0266452 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 441 ## TwoFragment 7 ## CrossOver 90 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 401 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 49: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7425 cost/residue, 181 clashes 0.0266453 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 441 ## TwoFragment 7 ## CrossOver 93 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 416 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 50: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.742 cost/residue, 182 clashes 0.0266452 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 442 ## TwoFragment 7 ## CrossOver 94 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 433 ## OptSubtree 67 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 85 # jumping subtree containing T0136:Q 257 (46) jump= -0.213551 -0.0699523 0.800533 -0.555563 84.1684 9.35091 -36.9766 # generation 51: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.742 cost/residue, 182 clashes 0.0266452 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 442 ## TwoFragment 7 ## CrossOver 96 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 456 ## OptSubtree 71 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 85 # generation 52: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7419 cost/residue, 182 clashes 0.0266452 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 442 ## TwoFragment 7 ## CrossOver 98 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 480 ## OptSubtree 76 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # generation 53: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.682 cost/residue, 207 clashes 0.0266451 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 443 ## TwoFragment 7 ## CrossOver 103 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 496 ## OptSubtree 78 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 85 # jumping subtree containing T0136:T 314 (103) jump= 0.767804 -0.047164 -0.185657 0.611379 49.5716 5.92892 19.4492 # generation 54: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.682 cost/residue, 207 clashes 0.0266451 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 443 ## TwoFragment 7 ## CrossOver 104 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 519 ## OptSubtree 81 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:I 299 (88) jump= 0.50042 0.52854 -0.612786 -0.307763 13.4484 -11.4507 38.0867 # Removing break moved up 3 to before 85 # generation 55: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6819 cost/residue, 207 clashes 0.026645 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 107 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 544 ## OptSubtree 86 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # Removing break before 20 # jumping subtree containing T0136:Q 257 (46) jump= 0.969256 0.10381 -0.219346 -0.0406678 -14.051 -9.46175 -32.7973 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 85 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:Q 257 (46) jump= -0.557079 0.787805 0.0869735 -0.247915 3.90577 125.804 28.6556 # generation 56: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5671 cost/residue, 187 clashes 0.026645 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 112 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 560 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break before 20 # Removing break moved up 3 to before 38 # generation 57: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5218 cost/residue, 208 clashes 0.0363574 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 112 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 587 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 58: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5218 cost/residue, 208 clashes 0.0363574 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 115 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 610 ## OptSubtree 94 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break before 87 # generation 59: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5218 cost/residue, 208 clashes 0.0363574 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 118 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 632 ## OptSubtree 96 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 298 (87) jump= 0.989091 0.0490258 -0.00541838 0.138804 -24.3081 -8.27959 -13.1846 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 85 # Removing break moved up 3 to before 85 # generation 60: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5217 cost/residue, 208 clashes 0.0363572 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 122 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 652 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 61: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5217 cost/residue, 208 clashes 0.0363572 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 122 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 669 ## OptSubtree 107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= 0.97452 0.0791871 -0.209297 0.0153163 17.4877 -8.47723 14.646 # jumping subtree containing T0136:F 236 (25) jump= 0.977908 -0.176784 0.103988 0.0403709 -5.0751 -2.42257 -12.4148 # generation 62: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5217 cost/residue, 208 clashes 0.0363572 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 125 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 686 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 298 (87) jump= -0.520753 0.465184 -0.403076 0.591566 -2.87556 89.594 66.974 # jumping subtree containing T0136:F 236 (25) jump= -0.412629 -0.343032 0.790216 -0.296015 115.114 14.8969 -23.9806 # Removing break before 87 # Removing break moved up 3 to before 38 # generation 63: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5217 cost/residue, 208 clashes 0.0363575 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 130 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 701 ## OptSubtree 115 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= 0.852519 -0.424552 -0.150809 0.264999 16.6385 55.4968 103.568 # generation 64: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.418 cost/residue, 208 clashes 0.0405591 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 446 ## TwoFragment 7 ## CrossOver 133 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 718 ## OptSubtree 118 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break before 87 # generation 65: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.418 cost/residue, 208 clashes 0.0405591 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 446 ## TwoFragment 7 ## CrossOver 134 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 736 ## OptSubtree 123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # generation 66: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.418 cost/residue, 208 clashes 0.0405591 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 446 ## TwoFragment 7 ## CrossOver 137 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 760 ## OptSubtree 127 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:F 236 (25) jump= 0.764232 -0.024836 0.0828425 -0.639117 -75.942 106.884 24.5648 # generation 67: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3855 cost/residue, 210 clashes 0.0405587 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 139 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 777 ## OptSubtree 131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= -0.467975 0.837796 -0.0397044 -0.278427 4.06017 142.463 43.3144 # Removing break moved up 3 to before 38 # generation 68: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3855 cost/residue, 210 clashes 0.0405587 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 143 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 796 ## OptSubtree 132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= 0.273968 0.779676 0.418497 -0.376706 -141.677 165.011 -71.4164 # jumping subtree containing T0136:F 236 (25) jump= -0.166037 -0.893934 -0.0526374 0.412969 -71.5556 203.306 -132.194 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 69: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3178 cost/residue, 190 clashes 0.030847 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 146 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 818 ## OptSubtree 137 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 246 (35) jump= -0.635442 0.515724 0.392674 0.419583 -114.677 155.162 -47.0984 # generation 70: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3177 cost/residue, 190 clashes 0.030847 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 148 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 834 ## OptSubtree 146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 85 # Removing break moved up 3 to before 38 # generation 71: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2875 cost/residue, 192 clashes 0.030847 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 151 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 862 ## OptSubtree 149 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= -0.368377 0.527261 0.070011 -0.762491 -9.64159 249.364 14.2443 # jumping subtree containing T0136:F 236 (25) jump= 0.996249 0.0128714 -0.0803398 -0.0294489 1.79418 1.12829 -22.1665 # jumping subtree containing T0136:R 293 (82) jump= 0.50007 0.505793 0.648853 -0.270356 -86.0472 -11.8577 -150.713 # Removing break moved up 3 to before 38 # generation 72: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2875 cost/residue, 192 clashes 0.030847 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 153 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 881 ## OptSubtree 155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 257 (46) jump= 0.904051 0.136987 0.164817 0.369812 75.6982 13.8468 -41.404 # jumping subtree containing T0136:F 236 (25) jump= 0.275511 -0.802666 0.385437 -0.362297 92.2607 214.883 3.58054 # generation 73: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2658 cost/residue, 191 clashes 0.0308468 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 159 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 904 ## OptSubtree 158 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 74: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2657 cost/residue, 191 clashes 0.0308466 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 166 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 918 ## OptSubtree 165 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 75: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2518 cost/residue, 192 clashes 0.0308468 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 450 ## TwoFragment 7 ## CrossOver 171 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 938 ## OptSubtree 169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= -0.827279 -0.517552 0.155768 -0.153248 50.3079 8.45266 -156.251 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:R 293 (82) jump= -0.0542121 0.487409 -0.866504 -0.0930861 124.461 94.1545 -92.9093 # generation 76: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.1983 cost/residue, 191 clashes 0.0308463 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 451 ## TwoFragment 7 ## CrossOver 175 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 954 ## OptSubtree 172 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= -0.947832 0.298475 0.111459 -0.0102179 -21.1581 67.7274 30.1431 # jumping subtree containing T0136:R 293 (82) jump= -0.996333 0.0821878 0.0237285 -0.001804 -26.9438 5.56385 10.4622 # jumping subtree containing T0136:R 293 (82) jump= -0.00531 0.407983 -0.17784 -0.895486 2.19158 244.13 -61.685 # generation 77: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.1983 cost/residue, 191 clashes 0.0308465 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 451 ## TwoFragment 7 ## CrossOver 178 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 978 ## OptSubtree 179 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 78: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.1983 cost/residue, 191 clashes 0.0308467 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 451 ## TwoFragment 7 ## CrossOver 182 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1001 ## OptSubtree 181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # generation 79: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.1983 cost/residue, 191 clashes 0.0308467 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 451 ## TwoFragment 7 ## CrossOver 189 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1014 ## OptSubtree 185 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 80: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.026 cost/residue, 192 clashes 0.021812 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 452 ## TwoFragment 7 ## CrossOver 197 ## CrossAndInsert 52 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1024 ## OptSubtree 189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 293 (82) jump= -0.214053 -0.256569 -0.140623 -0.931976 53.909 271.171 -26.4138 # jumping subtree containing T0136:P 274 (63) jump= 0.856603 0.374851 0.0220277 -0.353883 -115.904 49.0273 -132.564 # generation 81: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.959 cost/residue, 194 clashes 0.0226541 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 452 ## TwoFragment 7 ## CrossOver 201 ## CrossAndInsert 52 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1041 ## OptSubtree 192 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 287 (76) jump= 0.725974 -0.343853 0.318042 0.503563 112.815 157.715 -11.8649 # Removing break before 39 # jumping subtree containing T0136:F 236 (25) jump= 0.812078 0.212861 -0.0435911 0.54159 158.322 53.528 -35.2617 # generation 82: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.9582 cost/residue, 194 clashes 0.0226546 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 452 ## TwoFragment 7 ## CrossOver 204 ## CrossAndInsert 52 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1064 ## OptSubtree 197 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 293 (82) jump= -0.55624 -0.655434 -0.0447744 0.508919 -95.2061 187.635 -131.63 # jumping subtree containing T0136:F 236 (25) jump= -0.970444 -0.165814 -0.155712 0.0806077 -14.4896 -25.0737 -22.7419 # jumping subtree containing T0136:H 227 (16) jump= 0.945814 0.277159 -0.0680523 0.154878 33.2638 -17.8905 -63.7978 # generation 83: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.8711 cost/residue, 192 clashes 0.021411 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 453 ## TwoFragment 7 ## CrossOver 208 ## CrossAndInsert 52 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1088 ## OptSubtree 203 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 312 (101) jump= -0.973346 -0.14894 0.173588 -0.0168061 3.12463 18.6692 -33.5111 # jumping subtree containing T0136:R 293 (82) jump= 0.741576 -0.0902477 -0.664551 0.0170698 -49.3537 19.9621 14.18 # Removing break before 39 # Removing break before 39 # Removing break before 20 # jumping subtree containing T0136:F 236 (25) jump= -0.99814 -0.0384999 -0.0359278 0.030721 -30.5176 -17.2529 -13.7196 # generation 84: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.8711 cost/residue, 192 clashes 0.0214106 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 454 ## TwoFragment 7 ## CrossOver 209 ## CrossAndInsert 52 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1117 ## OptSubtree 207 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= 0.0293819 0.760297 -0.584841 -0.281151 92.0984 199.763 -108.608 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:F 236 (25) jump= -0.306758 -0.00459768 0.500225 -0.809724 11.4038 155.978 85.4689 # jumping subtree containing T0136:A 313 (102) jump= -0.996058 -0.078595 0.0385071 0.0144459 13.2183 -3.2646 -6.63523 # Removing break moved up 3 to before 85 # generation 85: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7564 cost/residue, 171 clashes 0.0226537 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 210 ## CrossAndInsert 52 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1141 ## OptSubtree 214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 304 (93) jump= 0.216378 0.306606 0.824067 -0.424366 -99.844 9.92503 -108.605 # jumping subtree containing T0136:R 293 (82) jump= 0.355932 -0.345284 -0.862327 -0.102393 -90.9735 23.4393 -54.52 # generation 86: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7564 cost/residue, 171 clashes 0.0226537 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 213 ## CrossAndInsert 52 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1165 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= 0.403367 -0.671232 0.465371 0.41252 203.564 255.543 -8.43034 # jumping subtree containing T0136:R 293 (82) jump= -0.651565 -0.37305 -0.617288 0.235057 -141.478 46.7387 -57.0374 # generation 87: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7562 cost/residue, 171 clashes 0.0226541 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 216 ## CrossAndInsert 52 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1185 ## OptSubtree 230 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 20 # jumping subtree containing T0136:F 236 (25) jump= 0.000604094 -0.477619 -0.865811 -0.149165 -84.2322 82.2179 -149.045 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:D 304 (93) jump= 0.999206 0.0192801 -0.00676515 -0.03419 -2.83505 2.49635 -12.2663 # generation 88: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6636 cost/residue, 174 clashes 0.0275054 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 218 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1196 ## OptSubtree 240 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 257 (46) jump= 0.856318 -0.233811 0.33322 0.317831 124.477 68.6128 -8.08124 # jumping subtree containing T0136:D 304 (93) jump= 0.256234 0.642468 -0.291742 0.660655 194.141 293.706 -46.1611 # generation 89: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6635 cost/residue, 174 clashes 0.0275057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 222 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1224 ## OptSubtree 241 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # Removing break before 39 # generation 90: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6625 cost/residue, 174 clashes 0.0275059 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 224 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1252 ## OptSubtree 245 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:F 236 (25) jump= -0.723177 0.247215 0.516911 -0.38562 17.5891 11.1009 62.4939 # generation 91: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6623 cost/residue, 174 clashes 0.027506 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 226 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1275 ## OptSubtree 250 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:G 311 (100) jump= 0.38333 0.856663 0.34522 0.00331626 -49.2169 184.567 -185.742 # generation 92: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6623 cost/residue, 174 clashes 0.027506 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 228 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1297 ## OptSubtree 257 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 293 (82) jump= 0.661274 -0.254184 -0.38001 -0.594726 -156.709 153.023 -16.8441 # generation 93: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6623 cost/residue, 174 clashes 0.027506 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 231 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1313 ## OptSubtree 266 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 304 (93) jump= -0.274618 -0.425222 0.503304 -0.700326 116.135 106.864 5.00644 # generation 94: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6622 cost/residue, 174 clashes 0.0275061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 236 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1321 ## OptSubtree 277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 304 (93) jump= -0.275035 -0.342996 0.559166 -0.702882 167.858 135.777 34.7261 # jumping subtree containing T0136:V 211 (0) jump= 0.968484 0.0226355 -0.234247 -0.0815828 -46.6337 25.3613 -17.616 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 304 (93) jump= -0.995171 0.0164082 0.0667232 -0.0700928 10.4381 -5.83954 -17.5435 # generation 95: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6622 cost/residue, 174 clashes 0.0275066 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 243 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1324 ## OptSubtree 291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # Removing break moved up 3 to before 42 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:D 280 (69) jump= 0.639729 -0.410347 0.524647 0.383546 187.371 149.689 -56.8293 # Removing break moved up 3 to before 42 # jumping subtree containing T0136:F 236 (25) jump= -0.612263 -0.0280302 0.789805 0.0236105 12.3628 -7.94495 -84.2234 # jumping subtree containing T0136:D 304 (93) jump= 0.798168 -0.349873 0.4254 0.244033 129.841 67.3211 44.3127 # Removing break moved up 3 to before 42 # generation 96: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6622 cost/residue, 174 clashes 0.0275061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 455 ## TwoFragment 7 ## CrossOver 252 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1330 ## OptSubtree 300 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= -0.254992 -0.457469 0.0952755 -0.846537 112.137 329.755 -48.5206 # Removing break moved up 3 to before 42 # generation 97: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.4752 cost/residue, 158 clashes 0.0275059 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 459 ## TwoFragment 7 ## CrossOver 259 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1330 ## OptSubtree 313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 42 # generation 98: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.4749 cost/residue, 158 clashes 0.0275061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 459 ## TwoFragment 7 ## CrossOver 261 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1361 ## OptSubtree 316 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 312 (101) jump= -0.831913 -0.336451 0.383775 -0.217804 59.577 6.81884 -93.0457 # jumping subtree containing T0136:A 313 (102) jump= -0.468699 0.237713 0.0612484 -0.848565 110.042 201.95 43.3708 # generation 99: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.37 cost/residue, 157 clashes 0.0237303 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 460 ## TwoFragment 7 ## CrossOver 264 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1379 ## OptSubtree 325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 280 (69) jump= -0.819487 -0.000964247 0.376677 0.43192 -135.583 76.5425 -83.0502 # jumping subtree containing T0136:F 236 (25) jump= 0.153977 0.504183 -0.520263 -0.671875 10.7368 276.966 -200.821 # jumping subtree containing T0136:D 304 (93) jump= 0.998905 -0.0389674 -0.0179185 -0.0186982 -24.7805 7.16547 16.9104 # jumping subtree containing T0136:D 280 (69) jump= 0.863103 -0.252302 0.0960156 0.426823 149.011 84.7191 40.3076 # jumping subtree containing T0136:D 304 (93) jump= -0.722024 -0.026886 -0.687757 -0.0703465 78.3892 2.64965 -62.0726 # jumping subtree containing T0136:I 230 (19) jump= 0.035412 0.675201 0.205139 -0.707649 -55.1808 333.996 12.4474 # Removing break moved up 3 to before 42 # generation 100: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.3698 cost/residue, 157 clashes 0.0237306 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 460 ## TwoFragment 7 ## CrossOver 266 ## CrossAndInsert 52 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1406 ## OptSubtree 330 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1375018684.pdb -s /projects/compbio/tmp/to_scwrl_1375018684.seq -o /projects/compbio/tmp/from_scwrl_1375018684.pdb -a /projects/compbio/tmp/from_scwrl_1375018684_a.pdb -b /projects/compbio/tmp/from_scwrl_1375018684_b.pdb > /projects/compbio/tmp/scwrl_1375018684.log # T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 64.1866 cost/residue 157 clashes 0.0237306 breaks # iteration 4 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.6477 cost/residue, 189 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 22 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.9656 cost/residue, 198 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 43 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.9656 cost/residue, 198 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 58 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.8417 cost/residue, 244 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 75 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 71.644 cost/residue, 216 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 90 ## TwoFragment 5 ## CrossOver 2 ## CrossAndInsert 4 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.4687 cost/residue, 139 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 106 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 4 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.2612 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 121 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 6 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.0128 cost/residue, 151 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 142 ## TwoFragment 8 ## CrossOver 3 ## CrossAndInsert 6 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.6701 cost/residue, 185 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 158 ## TwoFragment 8 ## CrossOver 3 ## CrossAndInsert 7 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.1491 cost/residue, 170 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 175 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 8 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.1491 cost/residue, 170 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 193 ## TwoFragment 8 ## CrossOver 5 ## CrossAndInsert 10 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.7472 cost/residue, 150 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 210 ## TwoFragment 8 ## CrossOver 6 ## CrossAndInsert 13 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.5287 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 227 ## TwoFragment 8 ## CrossOver 7 ## CrossAndInsert 14 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.5287 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 241 ## TwoFragment 8 ## CrossOver 10 ## CrossAndInsert 15 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= 0.751809 -0.598769 0.264247 0.0802065 7.88879 -10.4355 12.8502 # generation 15: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.1761 cost/residue, 150 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 260 ## TwoFragment 8 ## CrossOver 11 ## CrossAndInsert 15 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.9197 cost/residue, 153 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 279 ## TwoFragment 8 ## CrossOver 12 ## CrossAndInsert 16 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 284 (73) jump= 0.598722 0.127611 0.0189428 -0.790499 -37.9399 10.6994 -17.7887 # generation 17: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.7501 cost/residue, 162 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 302 ## TwoFragment 8 ## CrossOver 12 ## CrossAndInsert 16 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.696 cost/residue, 174 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 321 ## TwoFragment 8 ## CrossOver 12 ## CrossAndInsert 17 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.987744 -0.088609 -0.0693512 0.108168 20.6214 3.46628 17.3167 # generation 19: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.696 cost/residue, 174 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 335 ## TwoFragment 10 ## CrossOver 12 ## CrossAndInsert 17 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # generation 20: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.691 cost/residue, 128 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 54 ## InsertFragment 356 ## TwoFragment 10 ## CrossOver 13 ## CrossAndInsert 17 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 225 (14) jump= 0.828383 0.362469 -0.101612 0.414817 2.79996 -11.5039 31.5679 # generation 21: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.599 cost/residue, 164 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 367 ## TwoFragment 10 ## CrossOver 13 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 226 (15) jump= -0.995923 -0.085627 0.0248327 -0.0137569 -6.31223 -19.2737 21.1545 # Removing break before 14 # generation 22: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.4664 cost/residue, 163 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 383 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 23 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 0 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # generation 23: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.3254 cost/residue, 149 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 396 ## TwoFragment 10 ## CrossOver 20 ## CrossAndInsert 23 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.2398 cost/residue, 168 clashes 0.00914654 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 408 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 24 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.2398 cost/residue, 168 clashes 0.00914651 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 427 ## TwoFragment 11 ## CrossOver 22 ## CrossAndInsert 24 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 0 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # generation 26: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.1684 cost/residue, 159 clashes 0.00949934 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 438 ## TwoFragment 11 ## CrossOver 23 ## CrossAndInsert 24 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 0 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # Removing break before 88 # jumping subtree containing T0136:I 281 (70) jump= 0.786671 0.022667 -0.337562 0.516417 23.2173 29.9445 -6.2216 # generation 27: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.1384 cost/residue, 158 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 446 ## TwoFragment 11 ## CrossOver 27 ## CrossAndInsert 25 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 0 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # generation 28: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.1384 cost/residue, 158 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 458 ## TwoFragment 11 ## CrossOver 30 ## CrossAndInsert 26 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 0 ## OptSubtree 59 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # jumping subtree containing T0136:V 211 (0) jump= -0.132308 0.000288464 -0.184011 -0.973979 -6.26169 10.1125 -20.0329 # jumping subtree containing T0136:G 222 (11) jump= 0.439432 -0.195812 -0.117877 -0.868713 -0.535334 -23.9224 2.9377 # jumping subtree containing T0136:R 279 (68) jump= -0.995863 0.0373466 0.0479631 -0.0675338 -12.8902 4.05438 -9.47018 # Removing break before 88 # generation 29: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.028 cost/residue, 161 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 465 ## TwoFragment 11 ## CrossOver 33 ## CrossAndInsert 26 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 0 ## OptSubtree 70 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 30: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.7771 cost/residue, 150 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 472 ## TwoFragment 12 ## CrossOver 39 ## CrossAndInsert 27 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 0 ## OptSubtree 79 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.937524 -0.115822 -0.325632 -0.0399726 -19.8422 -4.75664 -17.7534 # Removing break before 88 # Removing break before 88 # Removing break before 88 # generation 31: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.7771 cost/residue, 150 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 477 ## TwoFragment 12 ## CrossOver 44 ## CrossAndInsert 29 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 0 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # Removing break before 88 # Removing break before 88 # generation 32: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.676 cost/residue, 148 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 486 ## TwoFragment 12 ## CrossOver 51 ## CrossAndInsert 29 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 0 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # jumping subtree containing T0136:A 238 (27) jump= 0.981039 -0.11552 -0.0850435 0.130325 3.67521 -2.43974 -10.8893 # Removing break before 88 # jumping subtree containing T0136:I 299 (88) jump= 0.19201 0.794951 -0.550012 0.169326 11.1804 16.0959 36.679 # jumping subtree containing T0136:I 299 (88) jump= 0.488848 -0.624286 -0.16903 0.585425 17.3839 20.2504 37.2964 # generation 33: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.5954 cost/residue, 162 clashes 0.0120072 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 494 ## TwoFragment 13 ## CrossOver 54 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 0 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # generation 34: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.4326 cost/residue, 176 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 502 ## TwoFragment 13 ## CrossOver 57 ## CrossAndInsert 30 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 0 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # Removing break before 88 # jumping subtree containing T0136:A 238 (27) jump= 0.945787 -0.185882 0.254197 -0.0794908 -13.3615 18.084 -3.48718 # jumping subtree containing T0136:I 299 (88) jump= 0.747576 0.599574 0.285096 -0.0190094 -31.6867 7.78054 -18.5828 # generation 35: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.2067 cost/residue, 154 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 505 ## TwoFragment 13 ## CrossOver 60 ## CrossAndInsert 30 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 0 ## OptSubtree 136 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= 0.980395 -0.13182 -0.0657448 0.130868 13.7665 22.4897 -13.4272 # jumping subtree containing T0136:G 311 (100) jump= 0.84584 -0.385032 -0.0439814 0.366566 7.60166 15.7549 31.354 # Removing break before 88 # jumping subtree containing T0136:V 211 (0) jump= 0.489512 -0.0300822 0.434789 -0.755269 -16.301 -1.27866 16.2011 # generation 36: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.2067 cost/residue, 154 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 508 ## TwoFragment 13 ## CrossOver 65 ## CrossAndInsert 31 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 0 ## OptSubtree 151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # jumping subtree containing T0136:Q 257 (46) jump= -0.811817 -0.407523 -0.0856249 -0.409326 9.45951 1.69065 -10.6115 # Removing break before 88 # Removing break before 88 # jumping subtree containing T0136:I 299 (88) jump= 0.745585 -0.384177 0.487315 -0.242972 -37.9083 -6.94347 7.39779 # Removing break before 88 # generation 37: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.2067 cost/residue, 154 clashes 0.00914652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 513 ## TwoFragment 13 ## CrossOver 67 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 0 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # generation 38: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.9808 cost/residue, 177 clashes 0.0199216 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 515 ## TwoFragment 13 ## CrossOver 69 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 0 ## OptSubtree 186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.986794 0.107745 0.114852 -0.0379096 -14.9372 6.98855 7.59404 # Removing break before 88 # Removing break before 88 # jumping subtree containing T0136:V 211 (0) jump= 0.894221 -0.40743 -0.011902 0.185006 -2.49116 -33.928 26.5196 # jumping subtree containing T0136:I 299 (88) jump= 0.451618 -0.702522 0.541562 0.0959965 -7.12262 18.6592 1.2433 # generation 39: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.9808 cost/residue, 177 clashes 0.0199216 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 518 ## TwoFragment 13 ## CrossOver 73 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 0 ## OptSubtree 204 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= 0.266289 -0.94225 0.122706 -0.161858 1.27811 -12.6102 25.0326 # Removing break before 88 # jumping subtree containing T0136:V 211 (0) jump= 0.736311 0.550039 -0.18355 0.348731 -8.86082 14.2788 -11.5457 # Removing break before 88 # generation 40: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.9808 cost/residue, 177 clashes 0.0199216 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 519 ## TwoFragment 13 ## CrossOver 80 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 0 ## OptSubtree 220 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # jumping subtree containing T0136:I 299 (88) jump= -0.272705 -0.554075 0.771662 -0.15222 -10.0246 27.7994 23.7162 # Removing break before 88 # jumping subtree containing T0136:Y 290 (79) jump= 0.943138 0.166437 -0.190792 -0.215378 8.48569 -13.3506 12.6859 # generation 41: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.9808 cost/residue, 177 clashes 0.0199216 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 519 ## TwoFragment 13 ## CrossOver 84 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 0 ## OptSubtree 241 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= -0.421782 -0.876306 -0.138318 -0.187234 10.1179 38.3486 21.7876 # Removing break before 26 # jumping subtree containing T0136:I 299 (88) jump= -0.481107 -0.148881 0.806037 0.310926 23.5148 -17.1304 23.9206 # Removing break before 26 # generation 42: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.831 cost/residue, 176 clashes 0.0170042 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 525 ## TwoFragment 13 ## CrossOver 87 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 0 ## OptSubtree 256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= 0.390672 -0.672032 0.091532 0.622391 15.0882 4.91035 8.26012 # jumping subtree containing T0136:I 299 (88) jump= 0.00604156 -0.443253 -0.542104 0.713872 -14.6845 15.7104 6.33789 # generation 43: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.831 cost/residue, 176 clashes 0.0170042 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 526 ## TwoFragment 13 ## CrossOver 90 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 1 ## OptSubtree 275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 263 (52) jump= 0.543753 -0.755747 -0.317351 0.180189 -5.23362 12.817 21.7782 # jumping subtree containing T0136:V 211 (0) jump= -0.852289 0.000955554 -0.519675 0.0595056 13.043 21.0919 4.84045 # jumping subtree containing T0136:I 299 (88) jump= -0.165772 -0.208018 -0.702176 -0.660452 -27.0526 11.0834 1.56882 # generation 44: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.831 cost/residue, 176 clashes 0.0170042 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 526 ## TwoFragment 13 ## CrossOver 99 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 1 ## OptSubtree 290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.0807654 -0.583538 -0.399573 0.702354 16.1573 -9.42543 6.38891 # Removing break before 26 # Removing break before 26 # Removing break before 88 # jumping subtree containing T0136:V 237 (26) jump= -0.568287 0.112418 0.240793 0.778737 19.1115 -20.2501 -18.0716 # jumping subtree containing T0136:I 299 (88) jump= 0.401622 0.492984 0.724272 -0.266639 -20.3518 22.6864 12.7813 # generation 45: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2911 cost/residue, 162 clashes 0.0170041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 529 ## TwoFragment 13 ## CrossOver 100 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 1 ## OptSubtree 310 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= -0.816109 0.160378 0.0117848 -0.555073 20.8786 5.84408 23.9527 # jumping subtree containing T0136:I 299 (88) jump= 0.505051 -0.64753 0.472992 0.319228 0.0381794 -7.2844 -14.0344 # jumping subtree containing T0136:I 299 (88) jump= 0.516338 0.153294 0.105087 0.835974 -1.29758 4.23266 -6.54092 # jumping subtree containing T0136:P 283 (72) jump= -0.0781629 0.684479 -0.537867 -0.485878 18.2234 -14.4394 8.12019 # jumping subtree containing T0136:I 299 (88) jump= -0.634199 0.317373 -0.408393 -0.574701 -7.78179 10.1951 -11.1023 # jumping subtree containing T0136:V 237 (26) jump= 0.959603 -0.270706 0.0614674 0.0458418 -1.59401 -35.8089 12.2527 # generation 46: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2911 cost/residue, 162 clashes 0.0170041 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 529 ## TwoFragment 13 ## CrossOver 101 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 1 ## OptSubtree 333 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.431987 -0.693035 -0.26032 0.515095 -3.73919 48.6745 23.8789 # jumping subtree containing T0136:I 299 (88) jump= 0.120581 -0.142639 -0.482649 0.855666 -18.3303 29.4596 9.53201 # jumping subtree containing T0136:I 299 (88) jump= -0.0435794 -0.539467 -0.788426 -0.292336 -26.8366 16.3139 12.227 # jumping subtree containing T0136:V 211 (0) jump= -0.0978963 0.805672 0.436938 0.387806 -9.39988 28.7603 -6.59926 # Removing break before 26 # jumping subtree containing T0136:S 273 (62) jump= 0.54875 -0.119076 -0.64014 -0.524324 15.2263 -26.8587 24.7614 # jumping subtree containing T0136:I 299 (88) jump= -0.588547 -0.234371 0.75857 -0.152497 2.51958 -20.0208 24.9156 # jumping subtree containing T0136:I 299 (88) jump= 0.958304 0.124384 -0.181115 0.182698 -1.28244 12.9175 10.3629 # generation 47: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2911 cost/residue, 162 clashes 0.0170042 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 529 ## TwoFragment 13 ## CrossOver 102 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 1 ## OptSubtree 356 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.285652 0.902582 -0.272449 -0.171812 10.1337 19.2684 7.64569 # jumping subtree containing T0136:L 306 (95) jump= -0.834392 0.44883 0.31309 -0.0656978 -13.0013 -0.148242 -8.83735 # jumping subtree containing T0136:V 237 (26) jump= -0.885327 -0.298719 -0.174223 0.31082 -9.89993 9.37935 -6.5004 # Removing break before 88 # jumping subtree containing T0136:I 299 (88) jump= -0.983133 0.0494026 -0.0657323 0.163365 17.9759 -5.97189 9.7128 # generation 48: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2911 cost/residue, 162 clashes 0.0170042 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 529 ## TwoFragment 13 ## CrossOver 104 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 2 ## OptSubtree 377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 280 (69) jump= 0.889083 0.0716497 0.446192 -0.0728657 -26.6907 12.5253 4.101 # jumping subtree containing T0136:I 299 (88) jump= -0.759245 -0.595807 -0.199491 -0.169599 -13.3373 -3.91754 3.72276 # jumping subtree containing T0136:V 211 (0) jump= 0.297702 -0.061851 -0.521974 0.796926 8.24855 -3.49616 3.0555 # Removing break before 26 # Removing break before 88 # jumping subtree containing T0136:T 276 (65) jump= -0.172474 -0.428717 0.855869 0.232254 -8.70674 -1.93706 17.9482 # generation 49: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2774 cost/residue, 163 clashes 0.0170042 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 530 ## TwoFragment 13 ## CrossOver 108 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 2 ## OptSubtree 396 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.146533 -0.430808 -0.565131 0.688157 -4.51525 -9.43722 -13.8171 # jumping subtree containing T0136:V 237 (26) jump= -0.20119 -0.22099 -0.831905 -0.467568 -4.51979 67.8638 -73.4822 # Removing break before 88 # jumping subtree containing T0136:V 237 (26) jump= 0.120992 0.964091 0.148451 0.183989 9.36306 87.6625 -58.6114 # jumping subtree containing T0136:I 299 (88) jump= -0.322014 0.351079 0.191154 0.858202 -20.1063 69.1399 -16.6948 # generation 50: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2774 cost/residue, 163 clashes 0.0170042 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 532 ## TwoFragment 13 ## CrossOver 110 ## CrossAndInsert 32 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 415 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= -0.962315 -0.175415 0.145834 0.148024 -1.80148 -26.8001 -12.5949 # Removing break before 26 # jumping subtree containing T0136:W 302 (91) jump= -0.706624 0.64775 0.28461 0.00995598 2.01451 15.0561 57.0265 # generation 51: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2697 cost/residue, 168 clashes 0.0299942 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 532 ## TwoFragment 13 ## CrossOver 112 ## CrossAndInsert 32 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 440 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 237 (26) jump= -0.598024 0.75875 0.10619 -0.23535 17.6305 89.2133 9.94045 # jumping subtree containing T0136:P 274 (63) jump= -0.688664 -0.29682 0.549568 -0.368258 48.1588 -12.0551 -28.2846 # jumping subtree containing T0136:A 243 (32) jump= -0.848353 -0.490055 0.197052 0.0362549 -5.97272 -18.6623 -65.6592 # Removing break moved up 3 to before 34 # Removing break before 26 # Removing break before 26 # generation 52: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2696 cost/residue, 168 clashes 0.0299942 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 532 ## TwoFragment 13 ## CrossOver 113 ## CrossAndInsert 32 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 463 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 34 # Removing break moved up 3 to before 34 # generation 53: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.1326 cost/residue, 157 clashes 0.0200653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 533 ## TwoFragment 13 ## CrossOver 119 ## CrossAndInsert 32 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 484 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.999931 -0.0100569 0.00494926 -0.00338616 9.23792 -6.55463 -17.0316 # jumping subtree containing T0136:P 274 (63) jump= 0.991205 0.0894633 -0.0465283 0.0856973 -4.99152 -10.0747 11.8286 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:V 211 (0) jump= -0.188751 -0.341631 0.519826 -0.759896 -0.11357 44.462 0.0851002 # jumping subtree containing T0136:Y 290 (79) jump= -0.0268787 -0.175794 -0.880601 0.439221 -8.67711 3.77782 -16.5639 # jumping subtree containing T0136:H 235 (24) jump= 0.82587 0.153705 -0.380109 0.38708 22.7674 14.2839 -16.4295 # generation 54: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.1326 cost/residue, 157 clashes 0.0200653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 535 ## TwoFragment 13 ## CrossOver 122 ## CrossAndInsert 32 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 505 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.85521 -0.0872167 -0.399342 0.318645 8.37552 28.5488 10.3681 # jumping subtree containing T0136:V 211 (0) jump= -0.38781 0.0640493 0.841924 -0.369682 -30.3674 -6.48843 30.9152 # jumping subtree containing T0136:I 299 (88) jump= 0.940813 -0.289807 -0.175689 -0.00392766 10.5997 17.3606 7.7433 # jumping subtree containing T0136:D 301 (90) jump= -0.651507 0.624482 0.430656 -0.00976237 -0.578377 14.7652 12.5498 # Removing break before 33 # jumping subtree containing T0136:P 283 (72) jump= -0.188896 -0.728915 -0.367899 0.545574 -5.26312 6.82675 -48.7629 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:D 242 (31) jump= 0.956701 0.0966222 -0.199357 -0.188797 -34.1074 23.4411 -13.704 # jumping subtree containing T0136:E 277 (66) jump= -0.904731 0.273899 0.240099 0.220891 -9.33607 25.7217 23.14 # generation 55: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.1326 cost/residue, 157 clashes 0.0200653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 535 ## TwoFragment 13 ## CrossOver 123 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 530 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:D 242 (31) jump= 0.823959 -0.201943 0.526274 0.0578471 27.168 26.2781 -9.82968 # jumping subtree containing T0136:I 299 (88) jump= 0.0152364 -0.470515 -0.144615 0.870327 19.4556 -3.29135 -9.37099 # jumping subtree containing T0136:K 287 (76) jump= 0.445832 -0.657801 -0.0278207 0.60643 -20.1726 1.05226 -16.3036 # Removing break before 88 # jumping subtree containing T0136:D 242 (31) jump= 0.868119 0.13684 -0.0737141 0.471392 51.0003 14.8885 -5.22845 # jumping subtree containing T0136:V 211 (0) jump= 0.509293 -0.254068 0.0249471 0.821856 -6.95069 59.0103 -5.99709 # generation 56: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.1299 cost/residue, 171 clashes 0.0200652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 536 ## TwoFragment 13 ## CrossOver 125 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 551 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 301 (90) jump= 0.292011 -0.281798 -0.845275 0.347605 -32.5833 -9.29299 -3.63518 # Removing break before 88 # jumping subtree containing T0136:P 274 (63) jump= -0.829982 -0.309724 0.46248 -0.0362241 -27.1982 0.250022 -25.1692 # jumping subtree containing T0136:H 235 (24) jump= 0.399024 0.408648 -0.257867 -0.779289 -2.67703 102.218 -53.2065 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:V 216 (5) jump= 0.949192 0.0885784 0.185838 0.238019 13.2457 12.4205 -16.107 # Removing break before 88 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:V 211 (0) jump= -0.962033 0.0507715 -0.172354 0.205447 -2.4077 28.0959 1.39485 # generation 57: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.1299 cost/residue, 171 clashes 0.0200652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 536 ## TwoFragment 13 ## CrossOver 127 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 573 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:N 258 (47) jump= 0.00983977 -0.150798 0.381819 0.911799 11.127 70.1085 -20.6776 # Removing break moved up 3 to before 34 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:V 292 (81) jump= 0.636574 -0.60081 -0.323546 -0.359333 -37.986 72.1185 8.15473 # jumping subtree containing T0136:T 314 (103) jump= -0.858643 -0.153658 -0.488837 -0.0126513 10.1813 -23.8033 -18.3715 # jumping subtree containing T0136:I 299 (88) jump= -0.173399 0.0833723 -0.402063 -0.895169 65.0342 122.171 -20.6574 # jumping subtree containing T0136:V 211 (0) jump= 0.930753 0.130127 0.316221 -0.129501 -7.29383 -4.53714 -30.1167 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:I 299 (88) jump= 0.587743 -0.200274 0.0910295 -0.778564 -2.90183 98.1647 19.9217 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:N 258 (47) jump= -0.402336 0.757094 0.390346 -0.335507 -18.3166 39.9325 -8.1935 # jumping subtree containing T0136:A 263 (52) jump= -0.912327 0.110486 -0.314003 -0.238441 20.9077 -17.345 -0.557056 # jumping subtree containing T0136:E 214 (3) jump= -0.090515 0.409078 -0.797209 0.434649 71.2837 34.6492 28.1892 # generation 58: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.1299 cost/residue, 171 clashes 0.0200652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 536 ## TwoFragment 13 ## CrossOver 127 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 603 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 88 # jumping subtree containing T0136:D 242 (31) jump= 0.770694 0.162038 -0.153649 0.596797 61.4178 -9.21731 -2.93026 # Removing break before 88 # Removing break before 88 # Removing break before 88 # Removing break before 88 # jumping subtree containing T0136:N 258 (47) jump= 0.219205 -0.614648 0.233353 -0.720904 70.5025 131.411 11.5749 # generation 59: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.1299 cost/residue, 171 clashes 0.0200652 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 536 ## TwoFragment 13 ## CrossOver 128 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 3 ## OptSubtree 626 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= -0.992399 0.0287799 0.087122 0.0820154 -15.0791 2.67827 -6.60229 # jumping subtree containing T0136:I 299 (88) jump= 0.92016 -0.361267 0.0791785 0.128542 8.92058 11.7594 10.557 # jumping subtree containing T0136:D 242 (31) jump= 0.625725 0.680963 0.137028 -0.354938 -36.1789 8.57233 -25.1686 # jumping subtree containing T0136:D 241 (30) jump= 0.712474 0.55366 -0.390803 0.181973 33.0433 -13.635 -71.7006 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:I 299 (88) jump= -0.935975 0.245737 -0.0770023 -0.240072 19.5549 34.0108 13.9918 # generation 60: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.0694 cost/residue, 170 clashes 0.0360285 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 537 ## TwoFragment 13 ## CrossOver 131 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 4 ## OptSubtree 645 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= 0.00845306 -0.492857 -0.870034 0.00788653 -10.2756 -2.30391 -26.4745 # jumping subtree containing T0136:N 258 (47) jump= -0.998289 -0.0218927 -0.0371917 -0.0394498 16.8467 -17.0912 -13.0609 # jumping subtree containing T0136:D 242 (31) jump= 0.29506 -0.231464 0.367795 -0.850935 62.1197 42.9923 -20.3027 # Removing break before 88 # jumping subtree containing T0136:N 258 (47) jump= 0.177393 -0.176864 0.936085 -0.246974 16.3672 3.85123 5.04776 # jumping subtree containing T0136:D 242 (31) jump= -0.875073 0.11283 -0.209173 -0.42162 84.5696 33.7581 -5.95051 # jumping subtree containing T0136:D 242 (31) jump= 0.909207 0.270231 0.308584 0.0713687 14.3791 -17.8843 1.05707 # jumping subtree containing T0136:D 242 (31) jump= -0.126201 0.061846 0.867606 -0.476979 41.3744 -30.161 -5.75818 # jumping subtree containing T0136:V 211 (0) jump= -0.224102 -0.705782 -0.660144 -0.125933 -4.23982 26.6975 -27.6049 # jumping subtree containing T0136:P 274 (63) jump= -0.154946 -0.055804 0.931889 -0.323204 38.5479 16.0168 8.24456 # jumping subtree containing T0136:I 299 (88) jump= 0.893198 0.278137 0.0303664 -0.352015 -20.7437 6.85858 -26.5961 # generation 61: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.0694 cost/residue, 170 clashes 0.0360285 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 537 ## TwoFragment 13 ## CrossOver 135 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 4 ## OptSubtree 665 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= 0.0659586 -0.961034 -0.184834 -0.194679 -21.7686 56.3259 -40.6019 # Removing break before 88 # jumping subtree containing T0136:D 242 (31) jump= 0.16078 -0.299909 -0.797514 -0.498172 5.02376 30.4166 -97.1048 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:I 299 (88) jump= 0.853478 -0.371127 0.307641 0.197984 35.6066 43.6047 39.0384 # generation 62: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.0694 cost/residue, 170 clashes 0.0360286 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 538 ## TwoFragment 13 ## CrossOver 136 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 4 ## OptSubtree 690 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 63 # jumping subtree containing T0136:L 255 (44) jump= -0.896032 0.124346 0.389437 -0.173214 -17.5349 -6.56425 -19.488 # jumping subtree containing T0136:N 258 (47) jump= -0.5352 0.202659 -0.778137 0.25883 126.337 28.6899 -3.14654 # jumping subtree containing T0136:P 274 (63) jump= 0.464692 -0.461575 0.661515 -0.365251 40.8014 57.3006 50.2538 # jumping subtree containing T0136:I 299 (88) jump= -0.84424 0.00479109 -0.217862 0.489664 -15.2828 51.4328 28.4551 # jumping subtree containing T0136:I 299 (88) jump= 0.765093 -0.252807 -0.591169 0.0352178 -15.8953 21.3109 -10.4509 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:I 299 (88) jump= 0.286714 0.128647 0.949036 0.0239828 12.9677 0.98641 -14.856 # jumping subtree containing T0136:I 299 (88) jump= 0.904087 0.259485 0.267155 0.209575 28.7665 -16.7787 -14.2562 # generation 63: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.0153 cost/residue, 172 clashes 0.0339413 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 540 ## TwoFragment 13 ## CrossOver 137 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 4 ## OptSubtree 711 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= -0.533198 0.565243 0.623176 0.0886158 11.2563 2.84758 -126.187 # jumping subtree containing T0136:I 299 (88) jump= 0.942592 0.304328 -0.0977592 0.096688 -8.0126 -3.94484 -45.445 # Removing break moved up 3 to before 34 # jumping subtree containing T0136:N 258 (47) jump= 0.912707 0.210554 0.318686 0.145161 35.7478 -7.52554 2.36403 # Removing break before 88 # jumping subtree containing T0136:N 258 (47) jump= -0.555495 -0.47252 -0.50326 0.463551 26.6486 -46.5325 23.5019 # jumping subtree containing T0136:N 258 (47) jump= 0.907488 -0.216556 -0.353695 -0.0668523 -28.4758 14.2983 -9.59063 # jumping subtree containing T0136:P 274 (63) jump= -0.870148 0.349163 -0.266518 0.223375 -15.8329 41.3052 56.1131 # jumping subtree containing T0136:N 258 (47) jump= 0.66392 -0.314605 -0.593036 -0.329457 -31.2495 40.3325 -29.1925 # generation 64: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.0153 cost/residue, 172 clashes 0.0339412 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 540 ## TwoFragment 13 ## CrossOver 137 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 5 ## OptSubtree 734 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 34 # Removing break before 63 # jumping subtree containing T0136:I 299 (88) jump= -0.858357 0.426392 0.246407 0.143865 -28.2237 13.4985 24.5566 # jumping subtree containing T0136:I 281 (70) jump= 0.910553 0.327802 -0.184825 -0.171109 -1.3676 30.5839 -64.1665 # jumping subtree containing T0136:D 242 (31) jump= 0.691862 -0.198853 0.54906 0.424638 91.834 22.901 -17.318 # jumping subtree containing T0136:I 299 (88) jump= -0.521763 -0.83205 0.18363 0.0416753 -1.83093 62.7889 -88.2474 # generation 65: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.984 cost/residue, 171 clashes 0.0339413 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 541 ## TwoFragment 13 ## CrossOver 138 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 5 ## OptSubtree 764 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= -0.947106 -0.0689191 -0.291294 0.115703 13.6918 30.4415 9.10465 # generation 66: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.9117 cost/residue, 173 clashes 0.0309198 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 541 ## TwoFragment 13 ## CrossOver 138 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 5 ## OptSubtree 787 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 63 # Removing break before 63 # jumping subtree containing T0136:V 211 (0) jump= 0.976987 -0.170378 0.0856172 -0.0955889 12.3719 15.2037 5.27488 # jumping subtree containing T0136:V 211 (0) jump= -0.575388 0.749547 -0.0149016 -0.326933 30.3872 72.1706 35.9057 # jumping subtree containing T0136:N 258 (47) jump= -0.0136913 0.763835 -0.552518 0.333305 44.3953 56.0216 -47.8544 # jumping subtree containing T0136:P 274 (63) jump= 0.974461 0.10753 -0.0222845 0.195873 9.47412 15.1008 5.72677 # jumping subtree containing T0136:P 274 (63) jump= -0.649593 0.723182 0.00477318 -0.234553 17.0358 53.4186 68.7292 # jumping subtree containing T0136:D 242 (31) jump= 0.843932 0.263763 -0.441295 0.153188 12.8747 -19.4209 -5.04438 # Removing break before 88 # jumping subtree containing T0136:N 258 (47) jump= -0.0644034 -0.00172881 -0.862716 -0.501568 37.742 42.1211 -73.5609 # jumping subtree containing T0136:I 299 (88) jump= -0.343798 0.0616148 0.585912 0.731241 -7.39759 87.8736 -71.088 # generation 67: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.9117 cost/residue, 173 clashes 0.0309198 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 541 ## TwoFragment 13 ## CrossOver 140 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 5 ## OptSubtree 819 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 235 (24) jump= 0.593248 0.270134 0.74731 0.128889 44.1722 -2.69604 -57.0852 # jumping subtree containing T0136:D 242 (31) jump= -0.846067 -0.0969335 0.522767 -0.0385904 7.58663 18.7985 -12.0208 # jumping subtree containing T0136:P 274 (63) jump= -0.158721 0.587435 -0.789437 -0.0807228 69.4676 62.1774 20.6973 # jumping subtree containing T0136:I 299 (88) jump= 0.00815865 -0.486416 -0.210077 -0.848057 13.8967 88.2216 -63.4232 # jumping subtree containing T0136:V 211 (0) jump= 0.747149 0.408313 0.440625 -0.284426 -4.84475 18.9607 -17.9729 # generation 68: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.8723 cost/residue, 172 clashes 0.0293564 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 542 ## TwoFragment 13 ## CrossOver 141 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 5 ## OptSubtree 850 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= 0.57402 -0.316468 0.261122 -0.708636 -19.3619 34.9841 50.3479 # jumping subtree containing T0136:I 299 (88) jump= 0.833166 -0.130579 0.00819665 -0.537324 -24.179 49.2445 -11.8121 # jumping subtree containing T0136:P 274 (63) jump= 0.196242 0.668019 -0.334704 -0.634991 4.0163 114.054 -58.6642 # Removing break before 63 # jumping subtree containing T0136:I 281 (70) jump= -0.971233 0.108427 -0.0980471 0.187981 -31.9067 27.1146 24.6281 # jumping subtree containing T0136:H 227 (16) jump= 0.855123 0.366238 0.0811717 -0.357834 -17.0635 33.092 -25.4226 # jumping subtree containing T0136:I 299 (88) jump= -0.911611 -0.312334 -0.0620691 -0.259924 34.8325 0.261059 -54.2816 # jumping subtree containing T0136:E 245 (34) jump= 0.895553 0.218512 -0.382805 -0.0608049 -14.6359 -11.2267 -31.1172 # jumping subtree containing T0136:N 258 (47) jump= 0.975208 0.121552 -0.0699241 -0.171189 -8.55651 10.3423 -8.01377 # jumping subtree containing T0136:N 258 (47) jump= -0.769121 0.592337 -0.0352889 -0.237369 17.1025 36.1291 44.1718 # jumping subtree containing T0136:I 299 (88) jump= -0.0730083 0.807349 0.321593 -0.489321 -14.9457 88.9821 56.6062 # jumping subtree containing T0136:N 258 (47) jump= 0.39448 -0.724308 -0.565324 -0.0131337 -33.0927 52.6898 -2.99452 # Removing break before 31 # generation 69: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.8723 cost/residue, 172 clashes 0.0293564 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 542 ## TwoFragment 13 ## CrossOver 141 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 5 ## OptSubtree 875 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 276 (65) jump= -0.975128 0.0415759 -0.188542 -0.108849 44.043 -8.25389 1.96281 # jumping subtree containing T0136:N 258 (47) jump= -0.801549 0.220253 0.15481 -0.533893 7.65583 27.3245 32.6251 # Removing break before 88 # jumping subtree containing T0136:D 242 (31) jump= 0.754556 -0.347524 0.179709 -0.526856 -6.02577 56.56 26.8249 # jumping subtree containing T0136:N 258 (47) jump= -0.68679 -0.608513 0.212577 -0.33592 56.6831 23.6669 -34.1821 # jumping subtree containing T0136:N 258 (47) jump= -0.995864 -0.07152 0.00736219 0.0555555 3.6311 16.0741 8.29643 # jumping subtree containing T0136:T 276 (65) jump= -0.904656 0.239641 -0.094059 -0.339591 31.9421 25.9309 20.6087 # jumping subtree containing T0136:P 274 (63) jump= -0.934477 -0.034001 0.324187 0.143175 -36.947 4.58457 -11.0393 # jumping subtree containing T0136:N 258 (47) jump= 0.576546 -0.740291 -0.34397 -0.035334 -51.6932 84.5357 10.5611 # jumping subtree containing T0136:T 276 (65) jump= -0.755875 -0.596845 -0.257564 0.0780382 -25.7471 33.4887 -51.2055 # jumping subtree containing T0136:P 274 (63) jump= 0.222266 0.392381 -0.418964 -0.788101 -9.63909 117.776 -62.6594 # generation 70: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6886 cost/residue, 168 clashes 0.0267644 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 542 ## TwoFragment 13 ## CrossOver 141 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 5 ## OptSubtree 904 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= -0.957411 0.266719 -0.0696462 0.0858744 6.77668 3.81777 37.7577 # jumping subtree containing T0136:K 288 (77) jump= 0.799459 -0.597899 -0.00578043 -0.0578709 -28.5103 49.4625 65.9244 # jumping subtree containing T0136:N 258 (47) jump= -0.094388 -0.121935 0.802826 0.575929 23.1356 68.749 -84.5216 # jumping subtree containing T0136:V 211 (0) jump= -0.320838 0.209148 -0.535117 -0.752974 68.5434 73.1554 -33.8849 # jumping subtree containing T0136:N 258 (47) jump= -0.73455 0.436127 -0.27062 0.443841 -46.8542 70.2191 53.8912 # jumping subtree containing T0136:Y 290 (79) jump= -0.888292 0.282283 0.147229 -0.331024 51.3073 -5.66344 22.1889 # jumping subtree containing T0136:I 299 (88) jump= -0.99978 -0.0199389 0.00370992 -0.00535769 15.259 -2.19752 15.8247 # jumping subtree containing T0136:N 258 (47) jump= 0.85959 0.346313 -0.231377 0.296034 25.5871 23.5966 -21.816 # generation 71: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6885 cost/residue, 168 clashes 0.0267644 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 542 ## TwoFragment 13 ## CrossOver 141 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 6 ## OptSubtree 927 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 276 (65) jump= 0.864354 0.335116 -0.0575947 0.370503 72.5184 12.7286 -54.5571 # jumping subtree containing T0136:V 211 (0) jump= -0.0523993 -0.585617 0.281218 0.758435 29.4722 102.638 -36.4582 # jumping subtree containing T0136:R 279 (68) jump= -0.234448 0.637311 0.596504 0.427846 -31.4578 81.8661 -41.2035 # jumping subtree containing T0136:P 274 (63) jump= 0.189558 0.44689 -0.14634 -0.86194 -3.78319 99.2346 -14.8776 # jumping subtree containing T0136:T 276 (65) jump= -0.9889 -0.100227 -0.101209 0.0422886 7.64024 2.03034 14.3043 # jumping subtree containing T0136:T 276 (65) jump= 0.578422 0.634513 0.186584 0.477503 38.1285 55.3715 -58.043 # jumping subtree containing T0136:D 242 (31) jump= -0.777005 -0.514986 0.296213 0.208113 3.70098 41.4486 -57.3393 # jumping subtree containing T0136:T 276 (65) jump= 0.643738 0.0636417 -0.458801 -0.609141 -24.2016 75.8268 -72.2749 # Removing break before 88 # generation 72: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6885 cost/residue, 168 clashes 0.0267642 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 542 ## TwoFragment 13 ## CrossOver 141 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 7 ## OptSubtree 958 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.716742 -0.035348 0.537306 0.443095 46.4823 14.8829 16.7807 # jumping subtree containing T0136:N 258 (47) jump= 0.995149 -0.0557154 -0.0254051 -0.0770026 -22.71 -13.0741 -14.2125 # jumping subtree containing T0136:N 258 (47) jump= -0.969711 0.227359 -0.0123332 -0.088407 19.375 -2.45814 11.8455 # jumping subtree containing T0136:D 242 (31) jump= -0.923961 -0.242877 -0.123824 0.268282 14.6634 5.44126 -14.6934 # jumping subtree containing T0136:E 261 (50) jump= 0.681798 -0.23277 0.485575 -0.495164 -7.00818 7.79231 40.0228 # jumping subtree containing T0136:T 276 (65) jump= -0.992117 0.0152189 -0.00643111 -0.124223 13.275 -13.5856 5.25313 # jumping subtree containing T0136:T 276 (65) jump= -0.0713724 -0.13322 0.814241 0.560509 11.4317 50.9026 -49.8813 # generation 73: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5733 cost/residue, 166 clashes 0.0402217 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 543 ## TwoFragment 13 ## CrossOver 141 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 8 ## OptSubtree 983 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= -0.653529 0.198776 0.478612 -0.551651 20.636 2.72245 33.1248 # jumping subtree containing T0136:T 276 (65) jump= 0.699224 0.42372 -0.214393 0.5344 76.2951 23.7005 -69.6693 # jumping subtree containing T0136:N 258 (47) jump= 0.852889 -0.459124 -0.00465036 -0.248525 -37.626 44.4084 36.2181 # jumping subtree containing T0136:V 211 (0) jump= -0.647061 0.243125 -0.698666 0.184576 35.827 19.6271 34.1336 # jumping subtree containing T0136:V 211 (0) jump= -0.808778 -0.256384 -0.436117 -0.299912 49.2515 2.94258 -60.2145 # jumping subtree containing T0136:G 311 (100) jump= -0.554033 0.154325 -0.0224222 0.817758 -12.1596 128.405 8.24026 # jumping subtree containing T0136:N 258 (47) jump= -0.584846 0.751891 0.0811022 0.29332 -25.2899 79.8543 12.583 # jumping subtree containing T0136:L 221 (10) jump= -0.994054 -0.104555 -0.0198731 0.0230202 13.0396 12.4257 -23.6502 # jumping subtree containing T0136:E 261 (50) jump= -0.864756 -0.0403608 -0.287976 -0.409436 33.9638 10.6992 5.1544 # jumping subtree containing T0136:G 222 (11) jump= 0.672931 -0.286904 -0.517431 0.443976 0.959629 25.9703 53.6386 # jumping subtree containing T0136:T 276 (65) jump= 0.655312 -0.164711 0.425055 0.602299 77.5325 54.9157 -20.3355 # jumping subtree containing T0136:N 258 (47) jump= -0.987012 0.150563 -0.0558617 -0.0041283 18.7608 25.5565 15.9357 # generation 74: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5733 cost/residue, 166 clashes 0.0402216 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 543 ## TwoFragment 13 ## CrossOver 143 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 8 ## OptSubtree 1007 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 276 (65) jump= 0.999952 -0.00518 0.00763428 -0.00332626 1.48144 -15.4709 4.88941 # jumping subtree containing T0136:P 256 (45) jump= 0.388018 -0.114911 0.442284 0.800389 87.0187 127.122 -37.4971 # jumping subtree containing T0136:V 211 (0) jump= 0.77284 -0.303306 0.138496 0.539946 83.9946 41.6518 27.0755 # jumping subtree containing T0136:E 261 (50) jump= 0.705027 0.229088 0.375469 -0.556308 -20.3824 41.0896 18.599 # Removing break before 31 # jumping subtree containing T0136:T 276 (65) jump= -0.64723 0.627802 -0.202948 -0.381798 62.4422 100.704 31.5619 # jumping subtree containing T0136:R 279 (68) jump= -0.909026 -0.373412 -0.0556949 -0.176445 -8.43096 26.4202 -45.336 # jumping subtree containing T0136:V 211 (0) jump= 0.954904 0.255318 0.133609 -0.0715469 14.7957 9.05233 -19.3459 # generation 75: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5733 cost/residue, 166 clashes 0.0402216 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 543 ## TwoFragment 13 ## CrossOver 143 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 8 ## OptSubtree 1039 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= 0.98536 0.0353415 0.16597 -0.0164417 -1.31882 6.09548 -22.6715 # jumping subtree containing T0136:P 274 (63) jump= -0.955237 -0.247933 0.0133871 0.16085 8.85671 15.8972 -12.4286 # jumping subtree containing T0136:R 279 (68) jump= -0.0841411 0.143108 0.39339 -0.904259 87.5211 62.8205 58.2326 # jumping subtree containing T0136:H 235 (24) jump= -0.642582 -0.609986 0.412053 0.212645 25.9388 58.2705 -76.8181 # jumping subtree containing T0136:D 242 (31) jump= -0.933584 0.0335816 -0.307569 0.180814 -10.3079 18.971 40.726 # jumping subtree containing T0136:N 258 (47) jump= 0.997137 -0.000496447 -0.0576422 0.0489303 25.4165 1.85973 15.8963 # generation 76: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5733 cost/residue, 166 clashes 0.0402215 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 543 ## TwoFragment 13 ## CrossOver 144 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 8 ## OptSubtree 1062 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.745086 0.510983 -0.209326 0.374066 6.24837 60.5462 27.2891 # jumping subtree containing T0136:R 279 (68) jump= -0.0424381 -0.915833 -0.376184 0.133922 -13.4184 59.1641 40.7341 # jumping subtree containing T0136:A 310 (99) jump= -0.929599 0.0467397 0.15632 -0.330491 24.0403 -0.388982 10.4425 # jumping subtree containing T0136:R 279 (68) jump= 0.996899 0.0724161 0.00642574 -0.0301323 -3.50185 17.3625 13.5733 # jumping subtree containing T0136:R 279 (68) jump= 0.329221 -0.0656262 0.94194 0.00748262 33.946 7.48201 57.6587 # Removing break before 68 # jumping subtree containing T0136:N 258 (47) jump= -0.229893 0.942167 0.139356 0.200127 -30.0423 127.807 -12.8948 # jumping subtree containing T0136:P 256 (45) jump= 0.930251 0.0327367 -0.289288 0.223325 25.0468 -24.072 11.8862 # generation 77: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5733 cost/residue, 166 clashes 0.0402215 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 543 ## TwoFragment 13 ## CrossOver 146 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 8 ## OptSubtree 1084 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.311853 0.735907 0.583387 0.144387 20.4174 -25.468 12.3019 # jumping subtree containing T0136:A 263 (52) jump= 0.137806 -0.0105703 -0.552305 0.822105 91.3288 72.8435 25.9776 # jumping subtree containing T0136:R 279 (68) jump= 0.743087 -0.138076 -0.654794 0.00119454 13.319 18.1808 -33.4667 # jumping subtree containing T0136:N 258 (47) jump= 0.96641 -0.021715 0.113132 0.229742 46.2198 -18.3588 5.41727 # jumping subtree containing T0136:E 225 (14) jump= 0.383311 0.529425 -0.745893 0.128162 137.515 88.1362 -12.6422 # Removing break before 68 # jumping subtree containing T0136:R 279 (68) jump= -0.842577 0.509341 -0.159686 0.0716702 -5.17085 45.2053 65.1489 # generation 78: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5733 cost/residue, 166 clashes 0.0402215 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 543 ## TwoFragment 13 ## CrossOver 147 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 8 ## OptSubtree 1107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= -0.9967 -0.0477257 0.0267482 -0.0599635 -1.14459 -21.3915 -3.71622 # Removing break before 63 # jumping subtree containing T0136:P 256 (45) jump= -0.518056 0.206069 -0.0498924 -0.828652 39.7775 130.332 21.9395 # jumping subtree containing T0136:V 211 (0) jump= -0.0945988 0.333757 0.150207 0.925794 8.37239 115.563 -8.41566 # jumping subtree containing T0136:P 256 (45) jump= 0.671131 0.717646 0.0207871 -0.184757 -16.5842 81.482 -66.9044 # Removing break before 63 # jumping subtree containing T0136:Y 290 (79) jump= 0.574942 0.0756381 -0.807999 -0.104204 32.2462 28.6597 -12.7067 # Removing break before 68 # jumping subtree containing T0136:V 211 (0) jump= -0.745638 0.530036 0.403204 -0.0226382 -20.8589 18.8698 13.3705 # jumping subtree containing T0136:P 274 (63) jump= 0.544882 -0.31791 0.590708 -0.503092 55.01 77.6485 77.941 # generation 79: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5361 cost/residue, 161 clashes 0.0199085 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 543 ## TwoFragment 13 ## CrossOver 149 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 8 ## OptSubtree 1127 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 290 (79) jump= -0.483706 -0.828116 -0.05456 -0.277984 6.12806 82.4708 -17.6991 # Removing break before 63 # jumping subtree containing T0136:A 263 (52) jump= -0.516512 -0.0104891 0.243808 0.82077 2.00996 110.275 -29.1994 # Removing break before 68 # jumping subtree containing T0136:R 279 (68) jump= -0.325091 -0.0684424 -0.943195 0.00381662 61.0255 -13.5845 38.6914 # jumping subtree containing T0136:N 258 (47) jump= 0.925567 0.264334 0.268604 0.0361241 -8.21214 3.44343 -39.2495 # jumping subtree containing T0136:Y 290 (79) jump= 0.561157 -0.52531 -0.639571 0.0100763 -25.3943 10.4602 21.3112 # jumping subtree containing T0136:R 279 (68) jump= -0.928692 0.0237837 0.0635508 0.36459 -30.2015 37.6308 -0.664087 # generation 80: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5361 cost/residue, 161 clashes 0.0199085 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 544 ## TwoFragment 13 ## CrossOver 152 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 8 ## OptSubtree 1147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 290 (79) jump= -0.328593 -0.518467 0.452754 -0.646709 46.8972 115.506 21.6399 # Removing break before 31 # jumping subtree containing T0136:D 242 (31) jump= 0.730218 -0.577917 0.344616 -0.118463 25.5859 88.9391 50.0977 # jumping subtree containing T0136:D 242 (31) jump= 0.995326 0.0438927 0.0742543 0.0434251 -10.0383 9.12828 -19.2698 # jumping subtree containing T0136:Y 290 (79) jump= -0.0972427 0.359581 -0.508622 -0.77624 50.289 70.5823 -19.0413 # jumping subtree containing T0136:Y 290 (79) jump= 0.941632 -0.275722 0.182468 -0.0633374 -17.4772 0.791884 63.4458 # generation 81: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5361 cost/residue, 161 clashes 0.0199081 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 544 ## TwoFragment 13 ## CrossOver 153 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 8 ## OptSubtree 1177 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.986537 -0.0370424 -0.0657733 0.145073 -25.2845 16.388 14.7587 # jumping subtree containing T0136:D 242 (31) jump= 0.356111 0.173092 -0.881805 -0.256211 29.4551 14.6397 -111.815 # Removing break before 31 # jumping subtree containing T0136:E 220 (9) jump= -0.446673 0.448485 0.486965 -0.601838 41.112 63.4726 51.2873 # jumping subtree containing T0136:V 211 (0) jump= -0.890723 0.344304 0.216975 0.202457 -33.5307 26.1618 10.4045 # jumping subtree containing T0136:N 258 (47) jump= -0.311481 -0.935468 0.144812 -0.0831174 27.9988 113.537 -52.6237 # jumping subtree containing T0136:D 242 (31) jump= -0.999639 0.0182363 0.00666368 0.0185913 3.10257 -7.63193 26.5032 # jumping subtree containing T0136:Y 290 (79) jump= -0.991553 -0.0990982 0.0830193 -0.0104695 -14.0194 13.6643 -6.06854 # jumping subtree containing T0136:N 258 (47) jump= 0.966112 -0.187716 -0.140887 0.107429 -18.0171 9.47138 29.1926 # jumping subtree containing T0136:N 258 (47) jump= 0.470645 0.381929 0.45721 -0.650832 -43.665 76.8219 15.0973 # generation 82: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5031 cost/residue, 161 clashes 0.0199079 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 546 ## TwoFragment 13 ## CrossOver 154 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 8 ## OptSubtree 1202 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 290 (79) jump= -0.0623742 0.314284 0.908228 -0.26918 7.78335 21.2254 80.1105 # jumping subtree containing T0136:V 211 (0) jump= 0.327083 0.641389 -0.676997 0.152683 66.8057 35.5609 -41.7379 # jumping subtree containing T0136:Y 290 (79) jump= -0.958944 -0.166411 -0.214092 -0.0830517 -17.9122 18.2264 -29.0362 # Removing break before 68 # jumping subtree containing T0136:N 258 (47) jump= -0.804288 0.535988 -0.13134 0.220427 -30.8478 50.8194 60.9398 # jumping subtree containing T0136:P 256 (45) jump= 0.497818 0.16601 -0.476707 -0.705244 -29.182 78.5717 -74.2231 # jumping subtree containing T0136:N 258 (47) jump= -0.375564 -0.881426 -0.152082 0.242717 -12.7235 88.8532 -51.7228 # jumping subtree containing T0136:R 279 (68) jump= -0.580611 0.304521 -0.255462 -0.710561 87.7672 39.9539 -4.79306 # jumping subtree containing T0136:N 258 (47) jump= 0.490588 -0.0954763 -0.732388 0.462402 30.395 24.4366 9.37537 # jumping subtree containing T0136:D 242 (31) jump= 0.932106 0.11203 -0.0310127 -0.343024 -52.5003 17.2641 -21.307 # jumping subtree containing T0136:R 279 (68) jump= -0.165215 0.651221 0.703028 -0.233168 -2.97178 37.5564 60.5896 # jumping subtree containing T0136:N 258 (47) jump= 0.78358 0.155072 0.505878 0.325641 22.7484 -9.51181 -28.8014 # jumping subtree containing T0136:V 237 (26) jump= 0.563099 0.500191 0.43738 0.491352 56.5241 28.6058 -97.2396 # generation 83: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5031 cost/residue, 161 clashes 0.0199079 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 546 ## TwoFragment 13 ## CrossOver 155 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 8 ## OptSubtree 1228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= -0.983824 0.0270705 -0.075472 -0.160193 5.88898 21.3547 11.1646 # jumping subtree containing T0136:N 258 (47) jump= -0.124268 0.238221 0.621599 0.735815 -42.1735 31.9239 -30.9414 # jumping subtree containing T0136:R 279 (68) jump= -0.829248 -0.00193614 -0.432838 -0.353546 54.8758 0.0322692 -1.2863 # jumping subtree containing T0136:I 299 (88) jump= 0.697831 0.318239 -0.41292 -0.491175 -21.4146 57.9481 -32.0868 # jumping subtree containing T0136:N 258 (47) jump= -0.35013 0.325259 -0.741699 -0.470636 13.0031 41.6818 -15.3577 # jumping subtree containing T0136:N 258 (47) jump= -0.352831 -0.659483 0.452173 0.485934 31.7125 94.7666 -61.7928 # jumping subtree containing T0136:R 279 (68) jump= 0.161849 0.571753 0.652892 -0.469719 -3.77619 54.4604 45.5265 # jumping subtree containing T0136:N 258 (47) jump= -0.6628 0.446137 0.592874 -0.100783 -21.749 14.0662 -35.3144 # jumping subtree containing T0136:V 211 (0) jump= 0.862116 -0.121874 0.238974 0.429876 67.7706 -2.1769 8.6798 # jumping subtree containing T0136:Q 257 (46) jump= 0.827088 0.228292 -0.474812 -0.195864 -19.6549 13.5054 -74.3414 # jumping subtree containing T0136:R 279 (68) jump= -0.426092 -0.494096 0.415495 -0.633782 81.1538 79.188 -3.8346 # jumping subtree containing T0136:V 211 (0) jump= -0.788783 -0.0396931 -0.157704 0.592769 -47.7668 46.1214 -12.3713 # jumping subtree containing T0136:P 256 (45) jump= 0.928799 0.0961415 -0.283745 0.218124 26.7651 -7.4481 7.26571 # jumping subtree containing T0136:Y 290 (79) jump= -0.999902 0.0100893 -0.00960014 -0.00140676 4.93117 16.4863 5.40288 # Removing break before 31 # jumping subtree containing T0136:R 279 (68) jump= -0.513915 -0.51601 -0.683056 -0.0553157 -18.6648 39.997 -81.8242 # generation 84: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.5031 cost/residue, 161 clashes 0.0199079 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 546 ## TwoFragment 13 ## CrossOver 155 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 9 ## OptSubtree 1261 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= 0.982195 0.108621 -0.00578153 -0.153168 -19.2732 6.76018 11.4489 # jumping subtree containing T0136:A 224 (13) jump= 0.759041 -0.312697 -0.00724412 -0.570985 -43.2504 65.1055 1.72603 # jumping subtree containing T0136:D 301 (90) jump= -0.863935 0.047733 0.165094 0.473372 -24.7225 53.907 -28.489 # Removing break before 68 # jumping subtree containing T0136:D 242 (31) jump= 0.809022 -0.13616 -0.568627 0.0600615 -12.9703 -14.8848 -12.7403 # jumping subtree containing T0136:R 279 (68) jump= 0.461232 -0.399933 0.19033 0.768826 94.057 75.9756 11.5562 # jumping subtree containing T0136:R 279 (68) jump= 0.851969 -0.460885 0.191552 -0.158246 -6.32061 19.2982 61.9498 # jumping subtree containing T0136:R 279 (68) jump= 0.851211 -0.184155 -0.171053 0.460724 37.9703 29.3653 16.9347 # generation 85: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4941 cost/residue, 170 clashes 0.019908 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 547 ## TwoFragment 13 ## CrossOver 157 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 9 ## OptSubtree 1282 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.998913 0.00605691 0.00669545 0.0457279 22.242 0.471063 -0.179506 # jumping subtree containing T0136:Y 305 (94) jump= -0.476254 0.305271 -0.229554 -0.79202 62.331 82.5744 2.65863 # jumping subtree containing T0136:N 258 (47) jump= 0.999999 -0.000905863 -0.000567901 -0.000972549 20.128 17.4957 8.51824 # jumping subtree containing T0136:V 211 (0) jump= 0.999926 -0.0052297 -0.00227275 0.0107581 -12.0749 9.75277 25.1788 # Removing break before 68 # jumping subtree containing T0136:P 256 (45) jump= 0.232583 0.953519 0.184429 0.0518946 -37.1515 151.04 -19.7207 # jumping subtree containing T0136:V 211 (0) jump= 0.886951 -0.0389099 0.108536 -0.447241 -27.3788 12.2973 7.87977 # jumping subtree containing T0136:R 279 (68) jump= 0.94192 -0.0877972 -0.190674 0.262148 2.96673 -1.79789 14.2082 # jumping subtree containing T0136:D 285 (74) jump= 0.451444 0.147482 0.693318 0.541994 68.3167 -7.78066 -0.0478296 # jumping subtree containing T0136:R 279 (68) jump= -0.332696 0.83539 0.408802 -0.155943 -24.6376 70.6075 41.7733 # generation 86: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.494 cost/residue, 170 clashes 0.0199079 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 547 ## TwoFragment 13 ## CrossOver 158 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 9 ## OptSubtree 1305 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= 0.998335 -0.0138566 0.0556679 -0.00601595 11.1535 -15.8028 25.3981 # jumping subtree containing T0136:N 258 (47) jump= 0.904834 0.0297041 0.117305 0.408206 47.349 -3.20408 -11.4886 # jumping subtree containing T0136:H 227 (16) jump= 0.473368 -0.866857 0.12764 -0.0904939 1.96248 140.62 53.7488 # jumping subtree containing T0136:V 211 (0) jump= -0.582711 -0.322834 -0.0670139 -0.742789 58.3286 60.9154 -30.0222 # Removing break before 68 # jumping subtree containing T0136:V 211 (0) jump= 0.765179 0.0485823 0.124678 0.629759 104.436 50.6248 0.925515 # jumping subtree containing T0136:N 258 (47) jump= 0.638306 -0.216891 0.716263 0.180254 46.9454 -6.34609 17.8105 # jumping subtree containing T0136:Q 257 (46) jump= 0.612394 0.134721 0.105658 -0.77179 -42.9652 107.759 -0.18374 # jumping subtree containing T0136:R 279 (68) jump= 0.178143 0.760755 -0.479872 0.399048 73.998 130.783 21.9138 # generation 87: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.494 cost/residue, 170 clashes 0.0199079 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 547 ## TwoFragment 13 ## CrossOver 159 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 9 ## OptSubtree 1338 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.887522 -0.331895 -0.178704 0.264981 -37.3724 54.3797 -6.58334 # jumping subtree containing T0136:N 258 (47) jump= -0.424978 -0.660306 0.19993 -0.586018 48.4763 80.5082 -27.484 # jumping subtree containing T0136:N 258 (47) jump= -0.194275 -0.219108 -0.517459 0.804043 -7.87347 68.9414 27.8916 # jumping subtree containing T0136:R 279 (68) jump= 0.762007 -0.0296867 0.646079 0.0323473 29.4504 17.8061 7.17259 # jumping subtree containing T0136:N 258 (47) jump= 0.525305 -0.0847332 0.0429166 0.845596 75.2168 68.2841 -9.89888 # jumping subtree containing T0136:A 226 (15) jump= 0.463 0.74935 0.47245 0.0299279 -54.4645 71.9767 -87.9084 # jumping subtree containing T0136:Y 290 (79) jump= 0.956836 0.214337 0.187193 0.0590183 -3.73917 29.6712 -15.5913 # jumping subtree containing T0136:D 242 (31) jump= 0.767114 0.253463 -0.297445 0.508743 85.4685 -1.28269 -45.521 # jumping subtree containing T0136:V 211 (0) jump= 0.318159 0.820975 0.473768 0.0178444 -27.9481 48.1822 -29.6909 # generation 88: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.36 cost/residue, 171 clashes 0.027966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 548 ## TwoFragment 13 ## CrossOver 162 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 9 ## OptSubtree 1358 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 313 (102) jump= 0.467914 0.509564 0.342058 0.635922 32.3275 85.661 -51.3076 # jumping subtree containing T0136:R 279 (68) jump= 0.99935 0.0211977 -0.0231635 -0.0177144 -14.5609 -1.19021 -17.9448 # Removing break before 68 # jumping subtree containing T0136:V 211 (0) jump= 0.245602 -0.098126 0.254929 0.930087 49.0523 102.513 -53.444 # jumping subtree containing T0136:N 258 (47) jump= -0.897147 0.400664 0.0558109 0.177426 -6.86796 31.4275 35.8311 # jumping subtree containing T0136:R 279 (68) jump= 0.56271 0.129394 -0.169843 -0.798604 -41.5631 96.9409 -38.9841 # jumping subtree containing T0136:R 279 (68) jump= -0.507595 0.44519 0.45446 -0.581051 29.9439 52.0803 94.4021 # jumping subtree containing T0136:M 228 (17) jump= 0.940378 -0.129042 0.029416 -0.313324 -31.2689 17.6036 -7.83234 # jumping subtree containing T0136:R 279 (68) jump= -0.043753 0.787728 -0.5896 0.173039 98.8559 122.603 49.3457 # jumping subtree containing T0136:R 279 (68) jump= 0.933352 0.289398 -0.190824 0.0932109 28.2025 1.39684 -53.8187 # jumping subtree containing T0136:A 218 (7) jump= -0.993958 0.00573784 -0.0578957 0.093073 -35.3009 12.0319 10.4713 # jumping subtree containing T0136:R 279 (68) jump= -0.905752 -0.131292 0.36342 0.174072 15.189 12.8207 -45.145 # Removing break before 68 # jumping subtree containing T0136:Q 257 (46) jump= 0.995862 -0.0157918 -0.0227389 0.086562 -4.44925 -18.347 9.17087 # Removing break before 68 # generation 89: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.36 cost/residue, 171 clashes 0.027966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 548 ## TwoFragment 13 ## CrossOver 163 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 9 ## OptSubtree 1381 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 222 (11) jump= -0.981785 -0.0995237 0.145918 0.0700067 0.851388 2.8511 -24.2074 # jumping subtree containing T0136:N 258 (47) jump= -0.622106 0.244996 0.179636 0.72159 -43.6835 88.304 -4.67307 # jumping subtree containing T0136:R 279 (68) jump= 0.989725 -0.10919 0.0871617 -0.0303927 -3.43323 3.81336 -14.0234 # jumping subtree containing T0136:V 300 (89) jump= 0.944879 -0.259457 -0.183403 -0.0790514 -19.6456 23.827 25.6182 # jumping subtree containing T0136:G 311 (100) jump= -0.947232 -0.295341 -0.103215 -0.0698037 19.3255 18.485 -53.8623 # jumping subtree containing T0136:R 279 (68) jump= 0.931003 -0.0665775 0.0881396 0.347896 40.0237 12.2536 21.2447 # jumping subtree containing T0136:E 220 (9) jump= -0.910127 0.131707 0.392809 -0.00477628 -7.92222 7.72343 5.35762 # Removing break before 68 # generation 90: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0924 cost/residue, 181 clashes 0.0341362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 549 ## TwoFragment 13 ## CrossOver 163 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 9 ## OptSubtree 1416 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.989589 -0.00583857 0.0926649 -0.109965 19.5075 -13.0429 -5.8141 # jumping subtree containing T0136:R 279 (68) jump= 0.542649 -0.226882 0.709071 -0.388942 3.9221 57.3448 85.6704 # jumping subtree containing T0136:G 311 (100) jump= -0.764493 -0.217707 -0.578619 -0.182635 4.98254 10.9252 -20.9825 # jumping subtree containing T0136:E 220 (9) jump= 0.938699 -0.0991275 0.0666732 0.323378 19.8488 3.87948 6.30337 # jumping subtree containing T0136:L 251 (40) jump= 0.70003 -0.339374 0.615348 0.127003 77.9352 60.9073 -15.9888 # Removing break before 68 # jumping subtree containing T0136:G 311 (100) jump= -0.958134 0.224499 0.107104 -0.141801 36.9953 13.7165 32.8006 # Removing break before 68 # jumping subtree containing T0136:R 279 (68) jump= -0.772306 0.356398 -0.449343 -0.273155 53.3546 0.981215 51.2471 # jumping subtree containing T0136:G 311 (100) jump= -0.718721 0.562189 0.127498 0.388752 -41.9334 89.0762 45.5652 # generation 91: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0924 cost/residue, 181 clashes 0.0341362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 549 ## TwoFragment 13 ## CrossOver 167 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1437 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.458543 -0.261869 -0.808131 -0.260937 32.3791 5.62746 -48.4384 # jumping subtree containing T0136:R 279 (68) jump= -0.425739 0.0697642 -0.149041 -0.889756 46.4409 107.456 -5.67676 # jumping subtree containing T0136:V 211 (0) jump= 0.0504205 0.510352 0.161458 -0.843167 -34.8116 131.69 18.5945 # jumping subtree containing T0136:G 311 (100) jump= 0.88032 -0.331521 -0.100487 0.324088 55.677 48.2762 53.0737 # jumping subtree containing T0136:Y 312 (101) jump= -0.631275 0.397176 -0.0442427 0.66467 -59.6502 89.118 39.1557 # jumping subtree containing T0136:G 311 (100) jump= 0.960893 0.216343 0.158869 -0.0681213 -14.6689 36.7547 -20.145 # jumping subtree containing T0136:N 258 (47) jump= 0.0379685 0.163087 -0.242511 -0.955589 8.68649 140.942 -27.7027 # jumping subtree containing T0136:P 256 (45) jump= 0.971713 -0.0820363 -0.220348 -0.0221584 -23.8046 11.7455 -15.2724 # jumping subtree containing T0136:V 211 (0) jump= -0.83714 -0.452355 0.113677 -0.285743 29.5516 14.8454 -47.86 # generation 92: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0924 cost/residue, 181 clashes 0.0341362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 549 ## TwoFragment 13 ## CrossOver 167 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1468 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 287 (76) jump= -0.835648 -0.179161 0.449428 -0.260014 63.6922 35.3044 -26.5552 # jumping subtree containing T0136:G 311 (100) jump= -0.97471 0.159671 -0.15575 -0.0136847 -7.04702 -8.79636 45.0481 # jumping subtree containing T0136:V 211 (0) jump= 0.0629453 0.834969 -0.0421986 -0.545054 -12.2331 109.572 -40.7143 # jumping subtree containing T0136:V 211 (0) jump= -0.601502 -0.107204 0.179115 0.771116 -39.8256 61.3021 -45.1185 # jumping subtree containing T0136:N 258 (47) jump= -0.98789 0.0477835 0.147074 0.0125965 -19.2842 6.92674 6.51131 # jumping subtree containing T0136:G 311 (100) jump= -0.891894 0.144299 0.428262 -0.0171554 -19.2505 2.62334 2.15756 # jumping subtree containing T0136:K 287 (76) jump= 0.00395688 -0.435371 -0.323165 -0.840238 3.97449 128.773 -50.8499 # jumping subtree containing T0136:G 311 (100) jump= -0.783001 0.194407 -0.58594 -0.0760869 33.5963 -1.83731 57.1463 # jumping subtree containing T0136:G 311 (100) jump= -0.881818 0.371105 -0.191635 0.218985 -17.5693 47.1698 77.327 # jumping subtree containing T0136:N 258 (47) jump= -0.881146 -0.435668 -0.107288 -0.149209 0.184828 11.3916 -32.8657 # jumping subtree containing T0136:K 287 (76) jump= 0.71941 0.10282 0.68538 -0.0461688 -5.28602 -15.7913 21.9887 # jumping subtree containing T0136:K 287 (76) jump= -0.454977 -0.171436 -0.852067 0.193873 -13.0286 35.9164 79.2762 # jumping subtree containing T0136:G 311 (100) jump= 0.877842 0.00941886 -0.357542 0.318541 26.7627 1.3119 16.4749 # generation 93: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0792 cost/residue, 181 clashes 0.0341362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 550 ## TwoFragment 13 ## CrossOver 169 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1491 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.954769 -0.201764 -0.165219 0.142861 -5.82755 16.8861 -7.60066 # jumping subtree containing T0136:G 311 (100) jump= 0.985732 -0.084965 0.105253 -0.100177 -11.8078 23.0633 20.9726 # jumping subtree containing T0136:P 256 (45) jump= 0.0197273 -0.438311 -0.392727 -0.808245 18.2966 99.6283 -51.3568 # jumping subtree containing T0136:N 258 (47) jump= 0.938928 -0.238593 0.165906 0.184287 46.1934 24.3907 34.7539 # jumping subtree containing T0136:G 311 (100) jump= 0.75656 0.230641 0.539729 -0.288294 -43.4361 32.298 -8.28996 # jumping subtree containing T0136:D 242 (31) jump= 0.888571 -0.408663 -0.208317 0.00640276 -40.7058 37.1355 8.07672 # jumping subtree containing T0136:N 258 (47) jump= -0.945294 -0.188656 0.249549 -0.0924829 13.3095 -7.40354 -44.314 # jumping subtree containing T0136:P 256 (45) jump= -0.897325 -0.110183 0.0806262 0.419722 -58.9046 37.3905 -4.64799 # generation 94: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9692 cost/residue, 158 clashes 0.0341362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 551 ## TwoFragment 13 ## CrossOver 169 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1514 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 76 # jumping subtree containing T0136:K 287 (76) jump= -0.771073 0.32687 0.54612 -0.0188305 0.541949 -27.3185 41.0449 # jumping subtree containing T0136:K 287 (76) jump= -0.94975 0.245773 -0.127071 -0.146367 58.6046 5.93726 47.0814 # jumping subtree containing T0136:D 280 (69) jump= -0.972393 0.188818 0.0895211 0.103856 -34.1286 21.8345 24.0538 # jumping subtree containing T0136:G 311 (100) jump= -0.825967 -0.10088 0.494656 0.250834 -30.3988 20.0402 -41.1568 # jumping subtree containing T0136:N 258 (47) jump= -0.751364 -0.354351 -0.550006 -0.0859062 -6.84161 28.8028 -47.9153 # jumping subtree containing T0136:P 256 (45) jump= 0.199654 0.306608 0.155533 0.917572 31.2795 113.684 -35.9722 # jumping subtree containing T0136:G 223 (12) jump= -0.0436975 -0.177505 0.864142 0.468872 88.47 77.8096 -117.96 # jumping subtree containing T0136:I 281 (70) jump= -0.129865 0.151212 0.320843 -0.925921 66.5023 120.632 57.2982 # jumping subtree containing T0136:G 311 (100) jump= -0.998848 0.00512597 0.0125153 -0.0460399 -14.5958 12.2954 -13.6703 # jumping subtree containing T0136:G 311 (100) jump= -0.362104 0.197154 0.345213 -0.843113 87.1811 102.549 62.1381 # jumping subtree containing T0136:G 311 (100) jump= -0.996151 -0.0047693 -0.0503503 -0.0715861 0.350713 19.1947 -2.15447 # Removing break before 31 # generation 95: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9692 cost/residue, 158 clashes 0.0341362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 551 ## TwoFragment 13 ## CrossOver 173 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= -0.323472 0.321864 0.579971 -0.674836 40.3002 75.7249 82.0492 # jumping subtree containing T0136:N 269 (58) jump= 0.430443 0.590449 -0.329122 0.598137 79.4343 99.6098 -7.19568 # jumping subtree containing T0136:K 287 (76) jump= -0.0814381 0.246451 0.346958 0.901249 8.93861 108.727 -73.7221 # jumping subtree containing T0136:G 311 (100) jump= -0.744428 0.390939 -0.260506 -0.474479 53.8611 56.9611 50.7042 # jumping subtree containing T0136:N 258 (47) jump= 0.123587 0.803116 0.161382 0.560078 -8.53885 104.333 -40.5094 # generation 96: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9559 cost/residue, 158 clashes 0.0341363 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 552 ## TwoFragment 13 ## CrossOver 175 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 258 (47) jump= -0.955917 0.0323499 -0.0409984 -0.288954 36.0076 -13.1557 11.957 # jumping subtree containing T0136:G 311 (100) jump= -0.426482 -0.324016 0.709375 0.458163 10.2001 72.3677 -89.5616 # jumping subtree containing T0136:N 258 (47) jump= -0.624597 -0.543638 -0.172694 -0.533399 64.9216 65.6567 -82.3773 # jumping subtree containing T0136:N 258 (47) jump= 0.656132 -0.408039 -0.262111 -0.578181 -31.5457 95.4081 -5.53302 # jumping subtree containing T0136:D 242 (31) jump= 0.748323 0.0314062 -0.475372 0.461571 60.7435 -10.8023 13.1246 # jumping subtree containing T0136:D 291 (80) jump= -0.263289 -0.123351 -0.847114 0.444816 -9.04194 36.5253 102.324 # generation 97: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9559 cost/residue, 158 clashes 0.0341363 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 552 ## TwoFragment 13 ## CrossOver 177 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1604 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= 0.999446 0.0197312 -0.0258487 -0.00713692 23.3033 10.8796 8.7875 # jumping subtree containing T0136:A 310 (99) jump= 0.61831 -0.538788 -0.190934 0.539392 36.5634 46.1057 71.2996 # jumping subtree containing T0136:G 311 (100) jump= -0.313919 -0.767704 -0.344273 -0.439957 -21.4655 112.992 -80.0547 # jumping subtree containing T0136:N 258 (47) jump= 0.744026 0.0396767 -0.648547 0.155686 3.27335 4.05989 -20.5162 # Removing break before 100 # jumping subtree containing T0136:T 217 (6) jump= -0.885994 0.0163139 0.462408 -0.0304396 4.14967 -8.62657 -32.9119 # jumping subtree containing T0136:N 258 (47) jump= -0.738031 0.445223 0.384783 -0.330195 0.734825 21.3527 32.195 # jumping subtree containing T0136:K 287 (76) jump= -0.717929 0.283589 -0.634397 -0.0411794 48.6822 28.3238 76.8164 # generation 98: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.8897 cost/residue, 158 clashes 0.0404445 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 553 ## TwoFragment 13 ## CrossOver 179 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1634 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= -0.329437 -0.299969 -0.0108156 0.895194 -57.0361 143.091 -10.0623 # jumping subtree containing T0136:G 311 (100) jump= -0.732685 -0.301564 0.538968 -0.285913 85.1006 8.51823 -17.1854 # Removing break before 76 # jumping subtree containing T0136:G 311 (100) jump= 0.0475354 0.801915 -0.249865 0.540593 23.5012 136.989 -7.14081 # jumping subtree containing T0136:N 258 (47) jump= -0.911569 -0.19114 0.291459 0.218078 -31.6848 14.764 -48.3133 # Removing break before 76 # jumping subtree containing T0136:D 271 (60) jump= 0.503691 -0.2166 -0.066353 0.833653 51.7274 59.5679 27.1351 # jumping subtree containing T0136:G 311 (100) jump= -0.394454 0.567355 -0.360705 -0.626423 91.5454 143.963 5.83146 # jumping subtree containing T0136:D 271 (60) jump= 0.651777 -0.674038 -0.342845 -0.0575886 -29.6374 53.3456 53.2647 # jumping subtree containing T0136:G 311 (100) jump= -0.310278 -0.238816 -0.909859 -0.137297 -10.7794 20.5172 -45.2081 # jumping subtree containing T0136:G 311 (100) jump= -0.586751 0.374499 -0.717487 0.0261915 57.1275 57.9153 39.1844 # Removing break before 76 # jumping subtree containing T0136:V 211 (0) jump= 0.999644 -0.00116307 0.0177553 -0.0198727 -8.35192 17.2022 -15.4906 # jumping subtree containing T0136:K 287 (76) jump= -0.989889 -0.121204 0.0314141 0.0666471 -0.670268 16.1349 5.32308 # jumping subtree containing T0136:G 311 (100) jump= 0.31515 -0.492433 0.767058 -0.264219 76.3681 89.8701 46.285 # jumping subtree containing T0136:G 311 (100) jump= 0.190105 0.534227 0.20395 -0.798039 -76.7281 151.839 -5.29469 # jumping subtree containing T0136:P 256 (45) jump= 0.542267 -0.425042 0.580294 0.434218 53.4705 60.6716 -27.2311 # jumping subtree containing T0136:G 311 (100) jump= 0.433021 0.531736 -0.339308 -0.643909 -11.6634 119.471 -77.6589 # generation 99: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.8873 cost/residue, 163 clashes 0.041999 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 554 ## TwoFragment 13 ## CrossOver 183 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1657 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 287 (76) jump= -0.0139485 -0.35711 0.900602 0.247376 89.5575 23.2927 6.53495 # jumping subtree containing T0136:D 271 (60) jump= -0.973685 -0.123802 -0.123073 0.146506 0.665487 -2.93254 1.45746 # Removing break before 76 # jumping subtree containing T0136:K 287 (76) jump= 0.219415 0.427429 0.824266 0.299578 -89.0105 84.4488 -54.3877 # jumping subtree containing T0136:K 287 (76) jump= 0.793962 0.130853 -0.457809 -0.378037 4.85126 36.7457 -30.9869 # jumping subtree containing T0136:N 258 (47) jump= 0.629225 -0.277386 0.724029 -0.0539875 19.6199 30.9712 14.0786 # jumping subtree containing T0136:D 242 (31) jump= 0.536584 -0.84021 -0.0778858 0.00770325 -20.5351 116.147 69.5077 # generation 100: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.7725 cost/residue, 166 clashes 0.0480258 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 555 ## TwoFragment 13 ## CrossOver 187 ## CrossAndInsert 33 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 10 ## OptSubtree 1687 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_327598535.pdb -s /projects/compbio/tmp/to_scwrl_327598535.seq -o /projects/compbio/tmp/from_scwrl_327598535.pdb -a /projects/compbio/tmp/from_scwrl_327598535_a.pdb -b /projects/compbio/tmp/from_scwrl_327598535_b.pdb > /projects/compbio/tmp/scwrl_327598535.log # T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA-scwrl 62.9854 cost/residue 166 clashes 0.0480258 breaks # iteration 5 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 72.6384 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 21 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 71.5994 cost/residue, 190 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 44 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 71.5885 cost/residue, 186 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 61 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 70.0466 cost/residue, 199 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 78 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.888053 0.0759141 0.448369 -0.0675561 -1.15412 -25.2607 9.05636 # generation 5: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 70.0466 cost/residue, 199 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 92 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.8847 cost/residue, 202 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 106 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.4441 cost/residue, 144 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 121 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.6375 cost/residue, 192 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 139 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.517 cost/residue, 164 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 155 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 21 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.517 cost/residue, 164 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 28 ## InsertFragment 169 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.517 cost/residue, 164 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 181 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 24 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.7796 cost/residue, 134 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 195 ## TwoFragment 1 ## CrossOver 3 ## CrossAndInsert 24 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.240715 -0.901404 -0.270419 0.237487 -23.5821 8.43131 30.0666 # generation 13: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.1812 cost/residue, 167 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 208 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 14 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.1812 cost/residue, 167 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 218 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 31 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 216 (5) jump= 0.883785 0.0843279 0.405882 -0.216965 3.2755 -5.05107 -3.93355 # generation 15: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.1812 cost/residue, 167 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 232 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 33 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.1812 cost/residue, 167 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 243 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 35 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.125718 -0.550396 0.329148 -0.756915 3.845 32.1838 -8.78805 # generation 17: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.0464 cost/residue, 163 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 254 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 37 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.0081 cost/residue, 168 clashes 0.0075526 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 268 ## TwoFragment 3 ## CrossOver 5 ## CrossAndInsert 37 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.999045 -0.0327762 0.0261036 -0.0123591 -7.84086 -5.04024 -24.4837 # generation 19: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.7207 cost/residue, 151 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 285 ## TwoFragment 3 ## CrossOver 5 ## CrossAndInsert 39 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 11 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 234 (23) jump= -0.999273 -0.0178123 0.00184659 0.0336533 -18.3545 19.6846 -5.17127 # generation 20: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.4962 cost/residue, 148 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 298 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 42 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 13 ## OptSubtree 43 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 21: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.4525 cost/residue, 180 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 307 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 43 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 16 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 249 (38) jump= 0.972552 -0.069405 -0.206987 -0.0805125 -28.064 1.4338 5.39465 # generation 22: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.4525 cost/residue, 180 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 316 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 43 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 20 ## OptSubtree 63 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.1846 cost/residue, 140 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 326 ## TwoFragment 3 ## CrossOver 7 ## CrossAndInsert 43 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 21 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 50 # generation 24: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.8628 cost/residue, 179 clashes 0.00918196 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 332 ## TwoFragment 3 ## CrossOver 9 ## CrossAndInsert 43 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 26 ## OptSubtree 83 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 51 # jumping subtree containing T0136:E 262 (51) jump= 0.885065 0.267852 -0.360443 0.12246 24.2673 12.3016 -9.83158 # generation 25: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.859 cost/residue, 178 clashes 0.00918196 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 340 ## TwoFragment 3 ## CrossOver 11 ## CrossAndInsert 44 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 30 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 51 # jumping subtree containing T0136:S 253 (42) jump= -0.523208 0.567183 0.615825 0.159112 3.92466 14.8726 0.819118 # jumping subtree containing T0136:W 302 (91) jump= -0.375769 0.591589 0.656257 0.279548 23.8656 2.60663 -18.9288 # Removing break before 39 # generation 26: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.859 cost/residue, 178 clashes 0.00918196 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 347 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 44 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 33 ## OptSubtree 101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= -0.50221 0.0984859 -0.264615 -0.817352 16.4502 -2.68943 8.01519 # jumping subtree containing T0136:I 247 (36) jump= 0.999349 0.00194756 0.00342014 0.0358704 14.8025 5.03007 21.7138 # jumping subtree containing T0136:W 302 (91) jump= -0.259838 -0.807016 -0.112498 0.518221 -18.4357 55.9564 -49.9112 # Removing break before 39 # generation 27: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.8323 cost/residue, 181 clashes 0.00918197 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 352 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 45 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 38 ## OptSubtree 114 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 260 (49) jump= 0.949731 0.118708 -0.289255 -0.0158639 13.7776 -24.5628 -3.80906 # jumping subtree containing T0136:S 231 (20) jump= -0.554931 0.4249 -0.702914 -0.132001 31.5998 22.714 -41.6618 # Removing break before 39 # jumping subtree containing T0136:K 250 (39) jump= -0.666225 -0.168432 -0.119829 -0.71653 31.2827 25.3004 -11.7097 # generation 28: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.7354 cost/residue, 163 clashes 0.00918197 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 354 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 45 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 43 ## OptSubtree 131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.783195 -0.573081 -0.237158 0.0440451 -8.06337 26.4899 -40.514 # generation 29: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.6907 cost/residue, 177 clashes 0.00918196 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 355 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 45 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 50 ## OptSubtree 146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 224 (13) jump= 0.817089 -0.0129763 -0.455667 -0.352939 -44.7459 14.9223 1.28849 # Removing break before 39 # jumping subtree containing T0136:K 250 (39) jump= 0.45688 -0.222872 -0.816723 -0.273043 -28.2376 12.5675 -14.8142 # jumping subtree containing T0136:I 281 (70) jump= 0.986735 -0.0996008 -0.12363 0.0338879 5.4479 -5.77878 -13.7683 # generation 30: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.629 cost/residue, 182 clashes 0.0245879 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 356 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 53 ## OptSubtree 164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 292 (81) jump= 0.073677 0.0872755 0.569969 -0.813689 -27.8674 -2.32731 5.53731 # Removing break before 39 # jumping subtree containing T0136:V 211 (0) jump= 0.312744 0.759277 -0.507681 0.260672 -5.76915 12.518 -32.0554 # generation 31: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.629 cost/residue, 182 clashes 0.0245879 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 359 ## TwoFragment 3 ## CrossOver 13 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 57 ## OptSubtree 180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.416407 -0.549207 0.0434186 0.723251 9.69818 61.5375 -3.84873 # jumping subtree containing T0136:V 211 (0) jump= 0.71183 0.172135 -0.224163 0.642976 -17.4267 -14.2475 -6.90576 # jumping subtree containing T0136:K 250 (39) jump= -0.713913 -0.582772 -0.211827 -0.325322 11.2702 8.33979 -37.5857 # jumping subtree containing T0136:P 268 (57) jump= -0.957334 0.0133934 0.0914214 0.273814 4.5096 -2.35928 -23.0147 # jumping subtree containing T0136:L 251 (40) jump= 0.982521 -0.133961 0.122652 0.040788 23.4876 16.9483 14.1839 # Removing break before 39 # jumping subtree containing T0136:R 279 (68) jump= 0.888545 -0.13226 -0.00233859 0.439306 18.6255 -3.43594 -3.42655 # Removing break before 39 # generation 32: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.6109 cost/residue, 180 clashes 0.0245861 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 360 ## TwoFragment 3 ## CrossOver 13 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 63 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.0288833 -0.144702 0.0332399 0.988495 -33.3083 37.2697 -16.1522 # jumping subtree containing T0136:K 250 (39) jump= -0.778217 -0.414624 -0.458754 -0.109591 -3.01471 -2.93313 -23.5781 # Removing break before 39 # jumping subtree containing T0136:L 251 (40) jump= -0.366945 0.1551 0.894663 -0.202173 6.86453 1.38727 10.3539 # generation 33: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.4415 cost/residue, 176 clashes 0.0245861 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 360 ## TwoFragment 3 ## CrossOver 15 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 67 ## OptSubtree 218 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.324689 0.0936814 0.718139 0.608339 -10.2819 -7.45799 -14.0827 # jumping subtree containing T0136:V 211 (0) jump= -0.827268 0.0735294 0.509324 -0.225412 10.0491 20.7382 5.79585 # Removing break before 40 # jumping subtree containing T0136:V 308 (97) jump= 0.693498 -0.526933 0.491235 -0.00950614 14.7484 -21.7308 -7.37308 # jumping subtree containing T0136:K 250 (39) jump= 0.915581 0.394339 0.0233084 0.0752596 28.4128 9.53712 -5.24015 # jumping subtree containing T0136:I 296 (85) jump= 0.907382 0.084735 0.0687321 -0.405898 25.5543 -14.0244 -7.69661 # generation 34: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.4094 cost/residue, 183 clashes 0.024588 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 364 ## TwoFragment 3 ## CrossOver 17 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 70 ## OptSubtree 233 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 85 # jumping subtree containing T0136:L 251 (40) jump= 0.15515 -0.826189 -0.196757 -0.504606 -0.908445 63.9776 -16.129 # jumping subtree containing T0136:P 268 (57) jump= -0.951742 0.045429 -0.300433 -0.0431638 -13.6911 -2.40288 -5.47696 # jumping subtree containing T0136:K 250 (39) jump= -0.842731 -0.290116 0.232734 0.389194 -2.35273 -3.59231 -32.3207 # jumping subtree containing T0136:I 296 (85) jump= -0.929808 -0.257425 0.0524784 -0.257752 -22.4299 -8.66241 9.76099 # jumping subtree containing T0136:V 211 (0) jump= -0.0570654 -0.403745 -0.321494 -0.85462 6.74847 38.8484 -24.7567 # jumping subtree containing T0136:I 296 (85) jump= 0.25079 -0.818363 -0.516885 -0.0147176 13.9827 21.0349 -31.2217 # generation 35: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.3955 cost/residue, 181 clashes 0.0241411 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 365 ## TwoFragment 3 ## CrossOver 19 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 75 ## OptSubtree 252 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:W 302 (91) jump= -0.702606 -0.151836 -0.0621086 -0.692412 3.31561 0.29081 17.6512 # Removing break before 39 # jumping subtree containing T0136:V 211 (0) jump= 0.59673 -0.265129 0.679488 0.334539 49.2514 7.46603 -22.5934 # Removing break before 39 # generation 36: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0504 cost/residue, 178 clashes 0.0409075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 367 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 79 ## OptSubtree 268 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.507667 0.0841435 -0.570413 0.640175 -27.0698 -28.9224 2.76065 # jumping subtree containing T0136:V 216 (5) jump= 0.709475 0.400601 0.0449509 -0.578051 15.9206 -28.5166 -14.3009 # jumping subtree containing T0136:I 296 (85) jump= -0.999988 -0.00168122 -0.00453758 -0.000325234 12.2586 12.1926 -4.50379 # jumping subtree containing T0136:I 296 (85) jump= -0.925834 -0.163589 -0.336086 -0.0558188 42.0323 12.4883 -34.9266 # Removing break before 85 # generation 37: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.0504 cost/residue, 178 clashes 0.0409073 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 368 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 46 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 87 ## OptSubtree 287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.648238 0.0640009 -0.735207 0.187514 -19.6712 11.7727 -12.2494 # jumping subtree containing T0136:I 296 (85) jump= 0.91431 0.0526659 0.362317 0.173175 23.8024 0.268454 -11.687 # generation 38: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.9768 cost/residue, 166 clashes 0.0409075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 375 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 47 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 91 ## OptSubtree 301 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.0215621 -0.134676 0.0548313 -0.989136 24.7938 -28.0392 -7.8239 # generation 39: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8435 cost/residue, 174 clashes 0.0409075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 378 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 47 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 97 ## OptSubtree 316 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.889875 0.253263 0.26179 -0.274676 5.25868 -51.5365 -30.5586 # jumping subtree containing T0136:L 221 (10) jump= 0.530795 0.476678 -0.126411 -0.689242 -5.15834 -18.9564 -29.4398 # Removing break before 63 # jumping subtree containing T0136:K 309 (98) jump= 0.233603 -0.512843 -0.802951 -0.194141 -19.1949 21.6992 -64.6679 # Removing break before 63 # jumping subtree containing T0136:V 282 (71) jump= 0.168357 0.570937 -0.765566 0.244123 0.874551 -6.30016 -67.9383 # generation 40: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8435 cost/residue, 174 clashes 0.0409075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 378 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 47 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 109 ## OptSubtree 338 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 63 # jumping subtree containing T0136:I 296 (85) jump= -0.00399154 -0.757807 -0.28817 -0.585381 54.3362 23.0629 -53.0512 # jumping subtree containing T0136:N 267 (56) jump= -0.553592 0.710941 0.426953 0.0762243 -10.3356 -10.1378 -52.3027 # jumping subtree containing T0136:I 296 (85) jump= 0.96505 -0.225396 0.0188376 0.132365 9.66533 31.5285 -22.3127 # jumping subtree containing T0136:S 231 (20) jump= 0.187034 -0.543055 0.0670672 0.81585 -38.1716 -4.59803 -29.0328 # generation 41: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5844 cost/residue, 166 clashes 0.0409075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 382 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 47 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 115 ## OptSubtree 358 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:E 225 (14) jump= 0.103056 0.71625 -0.661588 -0.196638 -23.8264 7.82709 -81.3236 # jumping subtree containing T0136:V 211 (0) jump= 0.673687 -0.0577688 -0.0360036 0.735875 34.6292 -18.8068 4.22281 # jumping subtree containing T0136:P 274 (63) jump= -0.65963 -0.569388 0.471494 0.135568 -43.5814 -6.28063 -39.9063 # jumping subtree containing T0136:I 296 (85) jump= -0.187535 -0.581336 0.653521 -0.446978 29.0593 -20.3379 -43.5196 # jumping subtree containing T0136:I 296 (85) jump= -0.238302 0.439767 -0.125532 -0.856772 37.762 0.481295 13.3259 # generation 42: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5844 cost/residue, 166 clashes 0.0409076 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 383 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 122 ## OptSubtree 373 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:E 225 (14) jump= 0.476631 0.383417 0.00117043 0.791083 24.2247 -28.7362 8.45949 # jumping subtree containing T0136:P 274 (63) jump= 0.57328 -0.445662 -0.329485 -0.603469 -45.4097 60.5388 -29.7362 # Removing break before 63 # jumping subtree containing T0136:I 296 (85) jump= -0.729542 0.0760601 0.547667 -0.402547 -5.32861 -53.896 -53.271 # generation 43: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.5844 cost/residue, 166 clashes 0.0409076 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 383 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 132 ## OptSubtree 395 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.98236 0.107724 -0.127364 0.0845185 -1.10962 -34.377 -6.52933 # jumping subtree containing T0136:I 296 (85) jump= -0.0324273 -0.910664 -0.0528574 -0.408467 21.1814 41.9097 -67.2537 # Removing break before 39 # jumping subtree containing T0136:E 225 (14) jump= 0.740084 -0.184634 0.0970431 0.639351 24.1635 15.1408 -5.70075 # jumping subtree containing T0136:P 274 (63) jump= -0.679257 -0.126175 -0.343568 -0.636122 56.0301 1.30059 -5.54808 # jumping subtree containing T0136:H 235 (24) jump= -0.709179 0.393069 0.296822 0.504439 1.96827 54.3312 -21.9243 # generation 44: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4678 cost/residue, 168 clashes 0.0409076 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 384 ## TwoFragment 3 ## CrossOver 23 ## CrossAndInsert 48 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 138 ## OptSubtree 410 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.993537 -0.0969716 0.0575023 -0.0131921 -7.5449 -19.2921 -29.0101 # jumping subtree containing T0136:P 274 (63) jump= 0.999862 0.00995133 0.0132534 -0.000711817 12.7847 17.4728 -20.4356 # jumping subtree containing T0136:E 225 (14) jump= 0.836204 -0.00145816 0.485227 0.25557 18.6893 22.4869 -12.8499 # jumping subtree containing T0136:Q 257 (46) jump= -0.207611 0.544205 0.332228 0.741865 -16.7481 79.5185 -25.2622 # jumping subtree containing T0136:K 288 (77) jump= -0.614056 0.652071 0.354625 0.268292 -21.9471 60.2688 -38.1703 # generation 45: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.445 cost/residue, 168 clashes 0.0401985 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 385 ## TwoFragment 3 ## CrossOver 25 ## CrossAndInsert 48 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 143 ## OptSubtree 426 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 85 # jumping subtree containing T0136:I 296 (85) jump= 0.465001 -0.778093 -0.0308553 -0.421181 -4.47696 83.2665 -20.7193 # jumping subtree containing T0136:K 250 (39) jump= -0.148258 -0.648488 -0.407634 -0.625554 41.9014 4.81078 -43.2691 # jumping subtree containing T0136:I 296 (85) jump= -0.954557 -0.0119361 -0.282914 0.0929404 -4.19933 11.7407 2.90445 # jumping subtree containing T0136:P 274 (63) jump= 0.352786 -0.187131 -0.518012 -0.756431 -28.588 44.9572 -35.6331 # jumping subtree containing T0136:I 296 (85) jump= -0.81398 0.367543 0.382298 0.237059 16.5871 11.3142 -40.8481 # jumping subtree containing T0136:V 211 (0) jump= 0.562663 0.235312 0.661926 0.435767 55.2872 17.7608 -63.8394 # generation 46: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.4076 cost/residue, 168 clashes 0.0409587 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 389 ## TwoFragment 3 ## CrossOver 25 ## CrossAndInsert 49 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 149 ## OptSubtree 446 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.921959 0.0996181 0.367758 -0.0694437 -23.2314 -21.3648 -7.57862 # Removing break before 63 # jumping subtree containing T0136:K 250 (39) jump= 6.62343e-05 -0.344073 0.800336 -0.490995 16.497 -1.32822 -3.03935 # generation 47: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2883 cost/residue, 172 clashes 0.0449966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 390 ## TwoFragment 3 ## CrossOver 26 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 155 ## OptSubtree 464 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.993999 -0.0684329 0.0758735 -0.039062 -24.109 -2.81222 -1.61821 # jumping subtree containing T0136:E 225 (14) jump= 0.046262 -0.785761 0.0682935 0.613005 -31.2074 60.6096 -41.401 # Removing break before 85 # jumping subtree containing T0136:P 274 (63) jump= 0.916679 0.00834562 -0.348953 0.194579 -5.62246 -1.26329 -15.6398 # generation 48: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2883 cost/residue, 172 clashes 0.0449966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 392 ## TwoFragment 3 ## CrossOver 26 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 159 ## OptSubtree 491 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.195255 0.0188524 0.201621 0.959619 32.3973 -22.9677 -22.7511 # jumping subtree containing T0136:I 296 (85) jump= -0.854573 0.446051 -0.262929 -0.0401509 4.44156 16.3889 -5.07727 # jumping subtree containing T0136:V 211 (0) jump= -0.506724 0.80881 0.296408 -0.0346233 -18.9365 4.64313 -31.6986 # jumping subtree containing T0136:I 296 (85) jump= 0.987793 -0.0635096 0.140213 -0.0238948 17.3425 18.5484 -5.99661 # jumping subtree containing T0136:P 274 (63) jump= -0.0277114 -0.487754 -0.53123 0.692187 -13.5968 -26.2486 -39.1806 # jumping subtree containing T0136:V 211 (0) jump= -0.0777593 -0.586065 -0.416376 0.690733 14.5106 -39.2609 -43.9021 # generation 49: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.2883 cost/residue, 172 clashes 0.0449966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 392 ## TwoFragment 3 ## CrossOver 26 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 167 ## OptSubtree 516 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 264 (53) jump= -0.257123 0.226786 -0.354899 0.869772 4.47752 -7.023 -15.6615 # jumping subtree containing T0136:S 264 (53) jump= 0.731433 -0.640961 0.143064 -0.183597 -3.64576 9.10933 -32.0261 # jumping subtree containing T0136:I 296 (85) jump= 0.295195 0.400283 0.489396 -0.716327 35.4558 -68.9207 -1.16106 # jumping subtree containing T0136:P 274 (63) jump= 0.576389 -0.41864 -0.282691 0.642341 -3.80575 5.88418 -26.4694 # Removing break before 85 # jumping subtree containing T0136:K 250 (39) jump= 0.448057 0.151905 0.611934 -0.633803 18.4113 -31.5953 -49.5186 # jumping subtree containing T0136:P 274 (63) jump= 0.121562 0.0581306 -0.763754 0.631288 19.2388 -39.9359 -39.7326 # generation 50: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.9472 cost/residue, 169 clashes 0.0449966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 393 ## TwoFragment 3 ## CrossOver 27 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 170 ## OptSubtree 535 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.615347 0.583713 0.397548 -0.350118 -6.01375 -26.1281 -53.7172 # jumping subtree containing T0136:I 296 (85) jump= 0.9137 0.139307 0.146234 0.352649 4.73166 -26.2544 23.4902 # jumping subtree containing T0136:V 211 (0) jump= 0.856508 0.233244 0.436875 -0.145364 38.6207 -27.0664 -20.077 # jumping subtree containing T0136:I 296 (85) jump= -0.846188 -0.18001 0.0559913 0.498425 28.3162 -23.9078 18.1983 # Removing break before 85 # generation 51: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.9256 cost/residue, 166 clashes 0.0449966 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 394 ## TwoFragment 3 ## CrossOver 27 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 173 ## OptSubtree 555 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 314 (103) jump= 0.751538 0.218557 0.359992 -0.50777 35.747 1.67579 5.6243 # jumping subtree containing T0136:P 274 (63) jump= -0.934464 0.154373 -0.0581858 -0.315532 11.2272 4.38331 29.9407 # Removing break before 85 # jumping subtree containing T0136:P 274 (63) jump= -0.873007 0.246324 -0.378591 0.18399 31.1265 21.5644 24.4435 # Removing break before 85 # jumping subtree containing T0136:P 274 (63) jump= -0.36926 -0.801953 -0.372363 0.286119 -22.2087 -8.41127 -35.6902 # Removing break before 85 # jumping subtree containing T0136:D 241 (30) jump= -0.907955 0.162579 0.345732 0.17221 -25.2308 27.731 -24.5107 # jumping subtree containing T0136:P 274 (63) jump= -0.126881 -0.444438 -0.498836 0.73317 -2.8995 -2.91988 5.28603 # jumping subtree containing T0136:I 296 (85) jump= 0.206614 0.487475 0.594803 -0.604887 4.02406 -30.8421 -12.0552 # jumping subtree containing T0136:K 250 (39) jump= 0.0562349 -0.762908 -0.641893 -0.052752 18.5471 0.710054 -87.1556 # jumping subtree containing T0136:K 250 (39) jump= -0.195381 -0.640167 -0.433113 0.603677 -31.3983 -27.5969 -36.6336 # Removing break before 85 # jumping subtree containing T0136:E 225 (14) jump= -0.41961 0.824373 0.0475785 -0.376925 -28.8174 33.1747 -69.7725 # jumping subtree containing T0136:P 274 (63) jump= 0.612492 -0.395667 0.293128 -0.618366 76.7081 20.2517 -33.5807 # jumping subtree containing T0136:P 274 (63) jump= -0.98532 0.0883541 -0.131744 0.0631042 9.59563 14.3395 6.72362 # generation 52: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.9256 cost/residue, 166 clashes 0.0449967 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 394 ## TwoFragment 3 ## CrossOver 27 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 179 ## OptSubtree 580 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.793321 0.471582 0.148406 0.355285 7.38694 -11.6894 -28.3784 # jumping subtree containing T0136:K 250 (39) jump= -0.0848974 -0.216101 0.650617 -0.723043 -7.36554 -31.8692 -33.4887 # jumping subtree containing T0136:P 274 (63) jump= 0.039873 0.770573 0.444129 0.455386 62.0838 -15.2752 -69.9947 # jumping subtree containing T0136:E 239 (28) jump= 0.983418 -0.0312822 0.0426314 -0.173476 -12.6374 12.623 4.30789 # jumping subtree containing T0136:P 274 (63) jump= -0.543537 -0.359168 0.653723 0.384983 -18.5257 12.8818 -56.9859 # jumping subtree containing T0136:V 282 (71) jump= -0.65326 0.282916 -0.448417 0.540492 47.7955 25.4847 -24.4901 # jumping subtree containing T0136:P 274 (63) jump= -0.927563 0.230539 0.0780812 -0.283518 9.40951 -3.84605 14.7916 # jumping subtree containing T0136:P 274 (63) jump= -0.938787 0.122934 0.231646 0.223397 -5.95933 15.0239 -17.8767 # jumping subtree containing T0136:S 264 (53) jump= -0.566527 0.0549591 -0.633613 0.523986 -3.6918 15.4493 8.04864 # jumping subtree containing T0136:A 248 (37) jump= -0.374955 0.0523118 0.925411 0.0169255 38.2334 19.1924 -65.4195 # generation 53: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.9256 cost/residue, 166 clashes 0.0449967 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 394 ## TwoFragment 3 ## CrossOver 29 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 184 ## OptSubtree 605 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.793004 -0.470382 -0.387041 0.00915981 19.9348 -46.8211 24.3925 # jumping subtree containing T0136:I 296 (85) jump= -0.263368 0.560057 0.581489 0.528057 -57.0788 42.4277 -7.37706 # jumping subtree containing T0136:I 296 (85) jump= -0.270711 -0.0211151 -0.316745 0.908814 25.5494 60.9021 17.8407 # generation 54: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.9256 cost/residue, 166 clashes 0.0449964 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 394 ## TwoFragment 3 ## CrossOver 30 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 190 ## OptSubtree 622 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.993825 0.0390376 0.0544073 0.0884775 35.8676 -5.33019 2.07801 # jumping subtree containing T0136:L 306 (95) jump= -0.520145 0.450312 0.579824 -0.436432 -14.8612 31.0478 5.5416 # Removing break before 63 # jumping subtree containing T0136:V 211 (0) jump= 0.959942 -0.27459 -0.0552566 0.00762485 -23.9065 22.532 14.9 # jumping subtree containing T0136:I 296 (85) jump= 0.450786 0.735189 0.197214 -0.466257 -41.1434 52.9767 -22.8405 # jumping subtree containing T0136:V 211 (0) jump= 0.0439316 0.453288 -0.0878624 -0.885935 -3.23266 38.1266 -16.6367 # jumping subtree containing T0136:P 274 (63) jump= 0.581854 -0.275198 -0.669256 0.371227 12.0702 21.0475 1.13065 # generation 55: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6658 cost/residue, 161 clashes 0.0495294 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 396 ## TwoFragment 3 ## CrossOver 30 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 191 ## OptSubtree 643 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 284 (73) jump= -0.881432 -0.269381 -0.221334 0.318628 -51.4497 -1.54272 -18.7034 # jumping subtree containing T0136:V 211 (0) jump= -0.0982922 -0.027211 -0.639589 -0.761922 3.18304 5.12197 -24.6205 # jumping subtree containing T0136:P 274 (63) jump= 0.806586 -0.504999 -0.0216708 0.306474 -3.64425 24.2976 19.3911 # jumping subtree containing T0136:K 250 (39) jump= -0.751791 -0.258505 0.0981403 0.598626 1.3415 43.6793 -5.45448 # jumping subtree containing T0136:V 237 (26) jump= -0.188295 0.892696 0.376974 0.159776 -10.9385 51.0818 -48.2225 # jumping subtree containing T0136:V 211 (0) jump= 0.58095 0.0614955 -0.53629 0.609186 1.72604 -26.8297 -51.4086 # generation 56: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6658 cost/residue, 161 clashes 0.0495294 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 397 ## TwoFragment 3 ## CrossOver 30 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 195 ## OptSubtree 668 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.00596237 0.319399 -0.831284 0.454879 45.073 -6.04763 -89.7128 # jumping subtree containing T0136:I 247 (36) jump= 0.716353 0.610658 0.170379 -0.291387 -37.6346 15.178 -5.97096 # jumping subtree containing T0136:P 274 (63) jump= 0.258839 0.39787 0.394108 -0.787008 -58.7702 24.5856 -28.484 # jumping subtree containing T0136:I 296 (85) jump= 0.930631 -0.342777 0.071713 -0.106241 5.86187 8.02444 11.8831 # jumping subtree containing T0136:V 237 (26) jump= 0.0970082 -0.492768 -0.664773 -0.553033 -11.9065 47.7999 -53.2327 # jumping subtree containing T0136:P 274 (63) jump= -0.398406 0.490907 0.21004 0.745766 3.79138 42.4888 6.72709 # jumping subtree containing T0136:S 253 (42) jump= 0.974736 -0.0291158 0.213889 -0.0573805 11.0827 0.925706 29.1568 # jumping subtree containing T0136:N 315 (104) jump= 0.985103 0.112057 0.0719978 0.108771 26.6385 8.34103 -21.1927 # generation 57: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6658 cost/residue, 161 clashes 0.0495296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 397 ## TwoFragment 3 ## CrossOver 32 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 202 ## OptSubtree 687 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 237 (26) jump= 0.662618 -0.648956 0.116598 0.355246 30.731 32.9266 31.3666 # jumping subtree containing T0136:V 211 (0) jump= -0.973782 0.198817 0.0332703 -0.105425 -13.1772 -11.2425 -2.94618 # jumping subtree containing T0136:V 211 (0) jump= 0.710482 0.185136 -0.678142 -0.0326066 27.9622 -13.8386 -7.06158 # Removing break moved up 3 to before 45 # jumping subtree containing T0136:P 274 (63) jump= -0.57098 -0.046638 -0.290976 -0.766251 38.4594 76.7555 -58.9893 # jumping subtree containing T0136:S 253 (42) jump= -0.508034 0.138733 0.614492 0.587413 -0.551022 88.6632 -91.705 # Removing break before 85 # jumping subtree containing T0136:P 274 (63) jump= -0.994909 0.0295561 0.0943466 0.0195117 -2.92665 -21.4006 5.56593 # generation 58: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.6658 cost/residue, 161 clashes 0.0495296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 397 ## TwoFragment 3 ## CrossOver 34 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 208 ## OptSubtree 706 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.850408 -0.499591 -0.16092 0.0363446 10.9342 -16.096 -13.0582 # jumping subtree containing T0136:V 237 (26) jump= -0.253563 0.175955 0.833687 -0.457942 4.87764 -27.5421 -16.6883 # jumping subtree containing T0136:P 274 (63) jump= 0.999612 -0.0140807 -0.00961466 0.0220116 -6.36023 -3.14697 -9.74794 # jumping subtree containing T0136:P 274 (63) jump= -0.965371 0.0857539 -0.229031 -0.0908265 22.8666 10.7513 29.4993 # jumping subtree containing T0136:N 275 (64) jump= -0.541754 -0.0756945 -0.566228 0.61657 21.6613 13.1116 -1.84298 # jumping subtree containing T0136:N 315 (104) jump= -0.124573 -0.399942 -0.584765 0.694678 -19.287 -13.6251 -10.8399 # jumping subtree containing T0136:T 260 (49) jump= -0.794938 -0.00293752 -0.602274 0.0730173 33.3811 -14.4768 -23.3449 # Removing break before 63 # jumping subtree containing T0136:V 237 (26) jump= -0.723026 -0.371274 -0.433948 0.388688 -22.1421 20.4012 -17.2092 # jumping subtree containing T0136:P 274 (63) jump= 0.933774 -0.102407 -0.110157 0.324721 22.1801 -9.68214 16.3957 # jumping subtree containing T0136:P 274 (63) jump= 0.541581 -0.0490326 -0.0173728 -0.839038 -15.8909 65.4001 23.1753 # generation 59: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4228 cost/residue, 159 clashes 0.0394318 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 398 ## TwoFragment 3 ## CrossOver 35 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 209 ## OptSubtree 727 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= 0.233336 -0.90603 -0.126888 0.329489 -21.9682 83.6836 -54.0417 # jumping subtree containing T0136:V 211 (0) jump= -0.337844 0.195365 -0.920701 -0.00192341 78.1036 22.4689 -83.8872 # Removing break before 63 # jumping subtree containing T0136:I 296 (85) jump= -0.98818 0.130533 0.0558855 -0.0577761 15.9273 19.5809 -8.79038 # jumping subtree containing T0136:V 237 (26) jump= -0.643028 -0.667838 -0.216292 0.306147 -1.70947 -27.6684 -62.3927 # jumping subtree containing T0136:V 237 (26) jump= -0.955821 -0.177282 -0.00720792 -0.234361 14.1481 -11.2729 -9.20253 # jumping subtree containing T0136:N 315 (104) jump= 0.00463493 -0.364909 0.0944933 0.926224 4.72149 120.288 -16.9744 # jumping subtree containing T0136:P 274 (63) jump= -0.9526 -0.0268481 -0.247765 -0.174482 47.8727 -28.3038 -12.5461 # generation 60: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4228 cost/residue, 159 clashes 0.0394313 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 398 ## TwoFragment 3 ## CrossOver 35 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 214 ## OptSubtree 746 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.641572 0.0339575 0.1299 0.755221 -48.7966 108.421 -6.43679 # jumping subtree containing T0136:V 211 (0) jump= -0.623946 0.187064 -0.538516 0.534509 65.5918 22.3048 26.0777 # jumping subtree containing T0136:V 211 (0) jump= 0.915752 -0.0213966 0.0788344 0.393352 68.7683 -0.0182676 -15.7347 # jumping subtree containing T0136:N 315 (104) jump= 0.319077 -0.110424 -0.201019 0.919558 39.5609 46.9443 5.71547 # jumping subtree containing T0136:N 315 (104) jump= 0.548992 0.616282 -0.456502 -0.33228 -47.7912 48.5834 -123.147 # jumping subtree containing T0136:N 315 (104) jump= -0.523343 -0.13731 0.760901 0.358173 -21.5798 37.9921 -145.412 # jumping subtree containing T0136:V 211 (0) jump= 0.24361 0.485132 0.758195 0.361168 55.5688 40.4592 -99.7711 # generation 61: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4228 cost/residue, 159 clashes 0.0394313 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 398 ## TwoFragment 3 ## CrossOver 35 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 221 ## OptSubtree 768 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= 0.989304 -0.108773 -0.0949961 -0.0205484 6.56084 23.9293 20.4512 # jumping subtree containing T0136:P 274 (63) jump= -0.986906 -0.137441 0.0519023 -0.0665714 26.915 3.4487 -6.18231 # jumping subtree containing T0136:V 237 (26) jump= 0.152212 -0.121022 0.694009 0.693208 98.7812 78.507 -78.0262 # jumping subtree containing T0136:E 239 (28) jump= -0.911356 -0.350066 -0.169126 -0.135208 35.4359 -17.9848 -42.2923 # jumping subtree containing T0136:N 315 (104) jump= 0.0694583 0.0294786 -0.85933 -0.505824 7.23375 94.7569 -177.046 # generation 62: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4228 cost/residue, 159 clashes 0.0394308 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 398 ## TwoFragment 3 ## CrossOver 36 ## CrossAndInsert 49 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 228 ## OptSubtree 786 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.94861 0.0563684 0.30783 -0.046925 63.3687 8.62774 -7.8023 # jumping subtree containing T0136:L 255 (44) jump= 0.591454 -0.244414 0.715584 -0.27997 99.3054 23.7698 -30.3761 # jumping subtree containing T0136:P 274 (63) jump= -0.235108 -0.682415 0.301511 -0.622996 167.849 96.6513 -133.316 # jumping subtree containing T0136:L 255 (44) jump= 0.870103 0.214819 -0.337338 -0.288056 -43.5811 1.96441 -37.8588 # jumping subtree containing T0136:K 288 (77) jump= -0.917689 0.0958696 -0.0144301 -0.385289 93.0856 8.51372 0.42128 # jumping subtree containing T0136:P 274 (63) jump= 0.838222 0.170988 0.393777 -0.336285 -15.0201 22.0032 21.6783 # jumping subtree containing T0136:N 315 (104) jump= 0.713228 0.236402 0.459649 -0.473437 -29.8863 1.60463 -16.0758 # jumping subtree containing T0136:V 211 (0) jump= -0.846186 -0.424533 0.312712 0.0771463 -12.9448 -1.25666 -138.003 # jumping subtree containing T0136:V 237 (26) jump= -0.997919 -0.00908772 0.063733 0.00353675 -8.3651 -24.6452 -17.8354 # generation 63: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4115 cost/residue, 161 clashes 0.039431 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 398 ## TwoFragment 3 ## CrossOver 36 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 231 ## OptSubtree 806 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.998626 -0.0412393 -0.00954072 -0.0308923 9.45341 -24.524 -23.7565 # jumping subtree containing T0136:V 237 (26) jump= 0.0824934 -0.162477 -0.265019 0.946869 2.27696 142.516 38.0521 # jumping subtree containing T0136:P 256 (45) jump= 0.91928 0.257748 0.261737 0.141369 56.4534 -22.9652 -30.4155 # jumping subtree containing T0136:N 315 (104) jump= 0.802805 0.279943 -0.326989 0.412571 57.8906 -25.7571 -69.5689 # jumping subtree containing T0136:N 315 (104) jump= -0.364201 0.862781 0.211241 0.279902 -32.1331 198.002 -111.813 # jumping subtree containing T0136:V 237 (26) jump= 0.360687 -0.715172 -0.124695 -0.585564 -6.55714 215.16 -78.4916 # jumping subtree containing T0136:P 274 (63) jump= -0.512248 -0.0298614 -0.854852 -0.0770669 71.451 20.7289 -53.1558 # generation 64: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.387 cost/residue, 160 clashes 0.0485198 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 399 ## TwoFragment 3 ## CrossOver 37 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 235 ## OptSubtree 826 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= -0.371982 -0.202389 0.548462 0.721011 3.08519 154.681 -139.223 # jumping subtree containing T0136:P 274 (63) jump= 0.922258 -0.120238 -0.362859 -0.0575897 -21.9678 20.4662 -26.1805 # jumping subtree containing T0136:N 315 (104) jump= -0.494967 -0.304839 -0.471068 0.663458 -18.2818 45.4374 42.0368 # jumping subtree containing T0136:N 315 (104) jump= -0.99515 -0.0528065 0.0553697 0.0618207 -14.6446 -19.9009 8.82444 # jumping subtree containing T0136:N 315 (104) jump= 0.0608769 -0.885784 -0.0746035 -0.453999 53.0796 151.646 -171.954 # generation 65: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.387 cost/residue, 160 clashes 0.0485198 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 399 ## TwoFragment 3 ## CrossOver 37 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 240 ## OptSubtree 852 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 260 (49) jump= -0.873161 0.253455 0.170039 0.380049 -76.8609 133.464 -23.2118 # jumping subtree containing T0136:L 255 (44) jump= 0.571421 0.724677 -0.355078 -0.149136 17.212 82.5404 -141.597 # jumping subtree containing T0136:S 253 (42) jump= -0.643163 0.544462 0.401509 0.358737 -75.6137 168.351 -71.9289 # Removing break before 85 # jumping subtree containing T0136:I 281 (70) jump= 0.258827 0.252872 0.725892 -0.584932 9.60488 26.9843 46.6663 # jumping subtree containing T0136:N 315 (104) jump= -0.625426 0.452227 0.602068 0.204567 -138.175 147.925 -121.153 # jumping subtree containing T0136:P 268 (57) jump= -0.98781 -0.0776978 -0.038427 0.129294 -24.5186 21.3307 -25.9635 # jumping subtree containing T0136:P 274 (63) jump= -0.532679 -0.759606 0.129155 -0.350103 63.4927 60.9783 -160.189 # jumping subtree containing T0136:V 237 (26) jump= -0.944283 0.0143577 0.1334 0.300544 -52.6361 44.0858 -32.8781 # generation 66: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.2532 cost/residue, 156 clashes 0.0491237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 400 ## TwoFragment 3 ## CrossOver 39 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 246 ## OptSubtree 877 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 237 (26) jump= 0.930193 -0.341116 -0.0196117 -0.134147 -22.3942 61.511 27.2771 # jumping subtree containing T0136:P 274 (63) jump= -0.665004 -0.594604 -0.0538273 0.448685 -102.893 58.8974 -121.97 # jumping subtree containing T0136:N 315 (104) jump= -0.828874 0.105649 0.544922 -0.0697622 -24.834 12.1551 -80.1824 # jumping subtree containing T0136:P 274 (63) jump= 0.698699 -0.362834 0.484474 0.381387 158.72 96.1526 2.08707 # jumping subtree containing T0136:I 296 (85) jump= 0.91536 0.173816 0.362142 0.0275364 38.4306 -36.6118 -14.1068 # Removing break before 85 # generation 67: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.2531 cost/residue, 156 clashes 0.0491239 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 400 ## TwoFragment 3 ## CrossOver 39 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 251 ## OptSubtree 903 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.735045 -0.0734827 -0.330992 -0.587157 -102.141 112.076 -66.6801 # jumping subtree containing T0136:N 315 (104) jump= 0.68482 -0.494848 0.245385 0.475324 77.3702 104.98 -0.258774 # Removing break before 63 # jumping subtree containing T0136:V 237 (26) jump= -0.761843 0.439571 0.45787 0.12933 -110.521 113.022 -56.9875 # jumping subtree containing T0136:V 237 (26) jump= 0.995848 -0.0125189 0.0169949 -0.0885543 -12.7163 16.2252 -12.0641 # generation 68: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0568 cost/residue, 161 clashes 0.0466314 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 401 ## TwoFragment 3 ## CrossOver 40 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 262 ## OptSubtree 924 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= -0.973214 -0.0386879 0.164536 -0.15584 1.73696 -23.4638 -11.1497 # jumping subtree containing T0136:N 315 (104) jump= -0.69111 0.67836 -0.189645 -0.161956 57.1396 131.246 13.7321 # jumping subtree containing T0136:N 315 (104) jump= -0.764455 -0.0926496 0.631605 -0.0899986 29.1088 16.5412 -95.0446 # jumping subtree containing T0136:N 315 (104) jump= 0.508883 -0.845379 -0.0305032 -0.159506 3.91678 184.956 -34.5248 # jumping subtree containing T0136:L 255 (44) jump= 0.302553 0.126741 0.377637 -0.865903 -0.260891 85.8943 53.0732 # jumping subtree containing T0136:V 211 (0) jump= -0.178187 0.757329 -0.628199 -0.00830502 141.362 127.361 -86.0161 # jumping subtree containing T0136:E 225 (14) jump= 0.895925 0.0455932 0.134069 0.421028 94.8173 -8.73975 -5.43387 # jumping subtree containing T0136:N 315 (104) jump= -0.156279 0.149151 0.766892 0.604324 75.246 109.602 -144.23 # jumping subtree containing T0136:V 211 (0) jump= -0.968064 -0.0424189 0.111768 -0.220365 29.629 -35.2697 -24.9233 # jumping subtree containing T0136:N 315 (104) jump= 0.678209 0.569805 -0.451171 0.108627 41.9321 23.4321 -151.787 # jumping subtree containing T0136:L 255 (44) jump= 0.367534 0.786954 0.403743 0.287426 43.5735 86.5263 -213.393 # jumping subtree containing T0136:N 315 (104) jump= 0.35235 -0.702207 -0.374588 -0.49238 -6.60836 171.1 -80.1713 # generation 69: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0568 cost/residue, 161 clashes 0.0466317 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 401 ## TwoFragment 3 ## CrossOver 41 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 266 ## OptSubtree 946 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= 0.893379 0.417474 -0.10801 0.126189 28.3397 -64.0776 -113.897 # jumping subtree containing T0136:V 237 (26) jump= -0.63445 0.338539 0.68578 0.112118 -114.557 56.0868 -82.6284 # generation 70: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0568 cost/residue, 161 clashes 0.0466313 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 401 ## TwoFragment 3 ## CrossOver 41 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 270 ## OptSubtree 976 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= -0.0467897 0.0797012 -0.740885 0.665243 111.268 -9.50645 -4.44923 # jumping subtree containing T0136:N 315 (104) jump= -0.906435 0.125129 -0.400771 0.0458278 74.7761 23.7919 18.5476 # jumping subtree containing T0136:N 315 (104) jump= -0.721252 0.659113 -0.138995 -0.161387 34.7334 210.471 20.8891 # jumping subtree containing T0136:N 315 (104) jump= -0.0177838 -0.0430827 -0.109111 0.992936 65.2519 169.542 4.20606 # jumping subtree containing T0136:N 315 (104) jump= 0.046887 -0.519 -0.611838 0.595059 -46.2956 22.6588 -46.2245 # Removing break before 34 # jumping subtree containing T0136:I 296 (85) jump= -0.606204 0.230515 0.566826 -0.508024 -15.804 21.1969 -3.00607 # generation 71: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0568 cost/residue, 161 clashes 0.0466312 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 401 ## TwoFragment 3 ## CrossOver 44 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 272 ## OptSubtree 995 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 262 (51) jump= 0.933531 0.0159579 0.126306 0.335129 78.4897 -9.47071 13.0235 # jumping subtree containing T0136:G 213 (2) jump= -0.96781 0.182279 -0.0918377 0.147255 6.99938 47.4642 50.6617 # jumping subtree containing T0136:P 274 (63) jump= -0.972772 -0.143362 -0.168091 0.0700499 4.27022 -35.5701 -24.1814 # jumping subtree containing T0136:N 315 (104) jump= -0.9878 0.148844 0.0311741 0.0335478 -16.5709 44.3128 27.8343 # jumping subtree containing T0136:L 255 (44) jump= 0.914683 -0.0693031 -0.396037 -0.0413052 -82.445 33.0799 -45.9792 # generation 72: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0567 cost/residue, 161 clashes 0.046631 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 401 ## TwoFragment 3 ## CrossOver 45 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 276 ## OptSubtree 1014 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= -0.952703 -0.040307 0.178595 -0.242561 46.3274 -20.7095 -35.3076 # jumping subtree containing T0136:V 211 (0) jump= 0.0096764 0.543866 -0.148267 -0.825914 -6.65104 191.509 -52.1405 # jumping subtree containing T0136:L 255 (44) jump= -0.692654 0.0976832 0.653962 0.288136 -100.019 86.9038 -108.326 # jumping subtree containing T0136:E 245 (34) jump= 0.689534 0.0298998 -0.533362 -0.489054 -97.593 117.799 -122.665 # jumping subtree containing T0136:E 245 (34) jump= -0.654785 0.228518 0.0581088 -0.718094 75.479 101.452 50.6944 # jumping subtree containing T0136:E 245 (34) jump= 0.85552 0.0506807 -0.184055 0.481292 84.4193 -3.27901 7.88324 # jumping subtree containing T0136:P 274 (63) jump= -0.0100339 0.827655 0.440508 -0.34762 -131.317 120.261 -155.128 # jumping subtree containing T0136:L 255 (44) jump= -0.529561 0.680884 0.343158 -0.371759 -60.5511 98.2926 2.37567 # jumping subtree containing T0136:N 270 (59) jump= 0.922041 -0.133932 -0.240476 -0.272166 -115.749 73.5697 -4.20755 # jumping subtree containing T0136:E 245 (34) jump= 0.185945 0.540402 -0.478045 -0.666981 -17.8856 186.464 -131.716 # jumping subtree containing T0136:E 245 (34) jump= -0.998452 -0.0547961 0.009386 -0.00182767 -5.11074 -24.4708 -23.6973 # generation 73: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0567 cost/residue, 161 clashes 0.046631 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 401 ## TwoFragment 3 ## CrossOver 47 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 280 ## OptSubtree 1032 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.458933 -0.73303 -0.239227 0.441382 -81.0303 57.4447 -102.921 # jumping subtree containing T0136:I 296 (85) jump= -0.473043 0.194664 -0.804208 -0.302631 171.253 80.8093 -163.128 # jumping subtree containing T0136:N 315 (104) jump= -0.382799 0.620599 -0.676694 -0.102014 183.327 166.198 -112.389 # jumping subtree containing T0136:V 211 (0) jump= -0.367716 0.538128 -0.360536 -0.667245 63.8811 178.033 -59.7723 # jumping subtree containing T0136:V 211 (0) jump= -0.995954 0.0871146 0.0156101 0.0156136 -7.3286 0.50659 11.5807 # jumping subtree containing T0136:N 315 (104) jump= 0.879595 0.402862 -0.237287 -0.0878002 -58.4568 -9.90793 -111.835 # jumping subtree containing T0136:N 315 (104) jump= -0.962119 0.163727 0.15727 0.150956 -52.0904 29.9096 2.59153 # jumping subtree containing T0136:E 245 (34) jump= 0.57735 0.724477 -0.192591 -0.323588 -77.1666 85.3481 -152.098 # generation 74: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0561 cost/residue, 161 clashes 0.0466314 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 402 ## TwoFragment 3 ## CrossOver 48 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 284 ## OptSubtree 1050 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.229462 0.819958 -0.468071 0.236485 132.921 106.488 -220.108 # jumping subtree containing T0136:P 274 (63) jump= 0.924836 0.143472 -0.0306191 0.350936 52.4258 -18.7355 -33.7384 # jumping subtree containing T0136:T 314 (103) jump= -0.129227 0.159389 0.812829 0.545165 4.46716 141.346 -214.236 # jumping subtree containing T0136:F 265 (54) jump= -0.890488 -0.378433 0.225647 -0.113589 16.1215 -61.7884 -132.554 # Removing break before 85 # jumping subtree containing T0136:I 296 (85) jump= 0.797886 -0.570505 -0.169873 0.0951093 -55.6127 140.073 9.44499 # jumping subtree containing T0136:E 245 (34) jump= -0.902086 0.330752 0.121381 -0.24922 -8.87614 65.7902 50.1451 # jumping subtree containing T0136:N 315 (104) jump= -0.941272 -0.218418 0.111036 0.232317 -62.1959 -12.3837 -74.3501 # jumping subtree containing T0136:I 296 (85) jump= 0.522224 -0.119739 -0.798635 -0.274091 -89.4196 91.3617 -216.045 # jumping subtree containing T0136:N 315 (104) jump= 0.486853 0.194212 0.42959 0.735329 181.164 98.2815 -117.443 # generation 75: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0561 cost/residue, 161 clashes 0.0466314 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 402 ## TwoFragment 3 ## CrossOver 52 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 287 ## OptSubtree 1068 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= 0.820695 0.209289 -0.0818714 -0.525314 -79.4947 30.8804 -45.6765 # jumping subtree containing T0136:N 315 (104) jump= 0.393828 -0.308335 0.716533 -0.486219 148.148 27.8841 -67.8055 # jumping subtree containing T0136:I 296 (85) jump= -0.992074 0.0648156 0.105269 0.0225255 -22.0877 16.4519 -3.02357 # jumping subtree containing T0136:N 315 (104) jump= 0.959704 -0.0441147 -0.0798247 0.2658 32.7957 4.50569 9.88313 # jumping subtree containing T0136:L 255 (44) jump= -0.95381 0.194407 -0.13661 0.183819 18.4392 36.4197 32.0444 # jumping subtree containing T0136:N 315 (104) jump= -0.994001 -0.0311028 0.0312953 0.100072 -8.0594 26.6289 -9.92483 # jumping subtree containing T0136:P 274 (63) jump= -0.75624 -0.322441 0.504079 -0.264647 25.8276 -42.5173 -116.992 # generation 76: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0561 cost/residue, 161 clashes 0.0466314 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 402 ## TwoFragment 3 ## CrossOver 53 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 292 ## OptSubtree 1095 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.890814 -0.201562 -0.0395568 -0.405288 93.6796 -9.79481 -63.7282 # jumping subtree containing T0136:P 274 (63) jump= 0.995823 -0.0834181 0.0338339 -0.0152814 -11.1377 18.6275 25.2576 # jumping subtree containing T0136:N 315 (104) jump= 0.986472 -0.103174 0.110363 -0.0636294 38.6849 30.8533 24.0891 # jumping subtree containing T0136:N 315 (104) jump= -0.441811 -0.00862859 -0.880228 -0.172994 121.839 43.7415 -181.013 # jumping subtree containing T0136:N 315 (104) jump= 0.687431 0.418734 0.0560963 -0.590723 -92.6585 69.841 -49.8185 # jumping subtree containing T0136:L 255 (44) jump= -0.356576 -0.600122 -0.566053 -0.43851 97.3548 45.384 -222.951 # jumping subtree containing T0136:L 255 (44) jump= -0.688477 0.568724 -0.162562 0.419674 38.5195 200.716 9.93414 # jumping subtree containing T0136:P 274 (63) jump= -0.29772 0.388209 -0.860329 -0.143147 181.773 97.6665 -189.49 # jumping subtree containing T0136:L 255 (44) jump= 0.994357 0.0271791 0.0996167 -0.0243302 -5.34295 -18.9623 14.4243 # generation 77: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0561 cost/residue, 161 clashes 0.0466316 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 402 ## TwoFragment 3 ## CrossOver 55 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 294 ## OptSubtree 1118 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= 0.358755 -0.276203 -0.755635 0.47331 -40.1658 -45.2171 -72.889 # jumping subtree containing T0136:L 255 (44) jump= 0.297715 -0.896804 0.222111 0.240366 47.3967 215.549 -100.011 # jumping subtree containing T0136:S 253 (42) jump= -0.734229 -0.278848 0.199114 -0.586093 117.872 -35.0213 -66.044 # jumping subtree containing T0136:P 274 (63) jump= 0.996642 0.0710578 0.0374754 0.0158345 -5.48179 -16.6577 -17.5678 # jumping subtree containing T0136:E 245 (34) jump= -0.85997 -0.148387 0.107444 -0.476328 95.639 -3.39691 -30.6561 # jumping subtree containing T0136:I 296 (85) jump= -0.999999 0.00113322 -0.000332023 0.000533785 17.8032 23.6146 3.32904 # generation 78: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0561 cost/residue, 161 clashes 0.046631 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 402 ## TwoFragment 3 ## CrossOver 56 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 296 ## OptSubtree 1139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.660894 -0.540221 -0.516933 -0.0644973 -95.2757 76.5406 -65.3139 # jumping subtree containing T0136:N 315 (104) jump= 0.81015 -0.402262 -0.223721 0.36303 -38.1095 59.3664 18.6767 # jumping subtree containing T0136:N 315 (104) jump= -0.50705 -0.0430455 0.259494 0.820799 -54.8215 173.598 -69.3971 # jumping subtree containing T0136:N 315 (104) jump= 0.791401 0.484932 0.333094 0.16605 98.0786 -49.368 -121.218 # jumping subtree containing T0136:E 245 (34) jump= 0.231721 0.640743 -0.439602 -0.585238 -80.7279 187.966 -254.298 # jumping subtree containing T0136:E 245 (34) jump= -0.906987 0.0162823 -0.415909 0.0642512 108.367 2.93527 -5.05965 # jumping subtree containing T0136:N 315 (104) jump= 0.310312 0.578297 -0.135989 -0.74215 -86.0396 167.899 -86.4763 # jumping subtree containing T0136:T 276 (65) jump= 0.963892 -0.203136 0.158737 -0.0667141 25.7855 58.3997 22.0483 # jumping subtree containing T0136:V 211 (0) jump= -0.129141 0.626086 0.0051069 0.768968 142.81 189.275 -104.9 # jumping subtree containing T0136:L 255 (44) jump= -0.323799 0.257189 0.608417 -0.677375 17.1242 -6.80341 16.5867 # generation 79: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465462 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 57 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 296 ## OptSubtree 1161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.580219 -0.289026 -0.173689 0.741379 -61.576 79.8366 -5.38849 # Removing break before 85 # jumping subtree containing T0136:L 255 (44) jump= -0.974766 0.124348 -0.142119 -0.119046 70.9312 18.5632 -0.526033 # Removing break before 85 # jumping subtree containing T0136:N 315 (104) jump= 0.968551 0.00139188 0.107924 0.224185 53.8114 22.0612 9.61561 # jumping subtree containing T0136:E 245 (34) jump= 0.902878 0.311538 -0.23363 0.182135 -1.64906 -70.3586 -79.8382 # jumping subtree containing T0136:L 255 (44) jump= -0.869967 0.240811 0.421258 -0.0878065 -78.3325 31.4434 -43.0128 # jumping subtree containing T0136:E 245 (34) jump= -0.349501 0.0538713 0.347588 -0.868406 85.4946 75.8576 46.8439 # jumping subtree containing T0136:L 255 (44) jump= 0.696262 -0.380174 0.149554 -0.590187 48.9243 161.162 15.2392 # jumping subtree containing T0136:E 262 (51) jump= 0.448601 -0.258637 -0.411762 0.749878 16.6228 34.34 34.9199 # generation 80: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 57 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 301 ## OptSubtree 1180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 63 # jumping subtree containing T0136:E 245 (34) jump= 0.400996 0.344214 -0.775316 0.345837 88.5407 -42.648 -181.081 # jumping subtree containing T0136:P 274 (63) jump= 0.0810009 0.10268 -0.978471 -0.159655 72.1274 35.6982 -269.331 # jumping subtree containing T0136:E 245 (34) jump= 0.964947 -0.11742 -0.00661689 -0.234619 -54.4536 52.8704 5.06338 # generation 81: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 57 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 305 ## OptSubtree 1207 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.537921 0.666909 -0.259042 0.445837 109.644 197.539 -62.1057 # jumping subtree containing T0136:E 262 (51) jump= -0.228109 -0.285075 -0.778507 -0.510516 119.863 90.1233 -226.892 # jumping subtree containing T0136:N 315 (104) jump= -0.194936 -0.691859 0.483472 0.499586 -21.8462 157.368 -168.899 # jumping subtree containing T0136:E 262 (51) jump= -0.0272932 0.902879 0.330798 0.273199 -0.389263 175.712 -218.519 # jumping subtree containing T0136:N 315 (104) jump= 0.958673 0.15946 -0.0603825 0.227754 34.9389 -43.7703 -30.1017 # jumping subtree containing T0136:E 245 (34) jump= 0.928041 -0.021046 -0.250789 -0.274594 -94.7371 22.4658 -30.624 # jumping subtree containing T0136:P 274 (63) jump= -0.0513219 -0.915345 0.398786 0.0219077 48.1727 157.825 -227.22 # generation 82: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 58 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 307 ## OptSubtree 1228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 262 (51) jump= -0.609644 -0.163772 0.774835 0.0338153 -20.5944 -9.72741 -173.289 # jumping subtree containing T0136:L 255 (44) jump= -0.991405 -0.101598 0.0332479 -0.0754279 23.6949 -41.4201 -14.5828 # jumping subtree containing T0136:N 315 (104) jump= -0.767321 0.409241 -0.367833 -0.329301 125.426 120.56 11.4125 # jumping subtree containing T0136:N 315 (104) jump= 0.379801 0.204052 0.335961 0.837403 151.341 145.583 -109.218 # jumping subtree containing T0136:P 274 (63) jump= -0.271806 0.585405 0.733912 0.211648 -44.7362 92.144 -209.41 # jumping subtree containing T0136:N 315 (104) jump= 0.91564 -0.0212975 -0.377412 -0.136784 -86.3236 12.1295 -43.3676 # generation 83: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 60 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 310 ## OptSubtree 1247 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.320212 0.84587 0.24305 0.350563 -3.19808 200.158 -143.158 # jumping subtree containing T0136:V 211 (0) jump= -0.735591 0.595364 0.260953 -0.190662 -49.1036 100.951 -10.0991 # jumping subtree containing T0136:E 245 (34) jump= -0.82767 -0.166334 -0.0490612 0.53375 -68.0674 37.1507 -31.0493 # Removing break before 85 # jumping subtree containing T0136:E 245 (34) jump= -0.362475 -0.447423 0.286183 -0.765848 156.376 62.1492 -95.9988 # jumping subtree containing T0136:I 234 (23) jump= -0.0281149 0.988077 0.00159369 0.151365 36.5207 178.338 -252.732 # jumping subtree containing T0136:N 315 (104) jump= 0.929478 -0.25364 -0.0983012 0.249149 9.63396 42.4144 -0.331131 # jumping subtree containing T0136:P 274 (63) jump= 0.878646 0.377686 0.247005 0.155959 70.2376 -43.8573 -76.9047 # generation 84: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 63 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 311 ## OptSubtree 1267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= -0.296137 0.719685 -0.23832 0.580999 112.294 177.086 -103.72 # jumping subtree containing T0136:E 245 (34) jump= -0.233076 -0.0697588 -0.658369 0.712292 32.5662 -25.0363 -12.3107 # jumping subtree containing T0136:N 315 (104) jump= -0.976554 -0.212138 -0.0357068 0.00807499 -8.23583 -15.6324 -54.9961 # jumping subtree containing T0136:V 211 (0) jump= -0.0266714 0.661952 -0.694638 0.280333 140.351 103.508 -165.385 # jumping subtree containing T0136:H 227 (16) jump= 0.99265 0.08815 -0.0808789 -0.0182817 -30.7056 -8.25985 -49.8383 # jumping subtree containing T0136:F 265 (54) jump= 0.865904 -0.0282497 0.0312523 -0.498433 -46.5785 106.569 13.9673 # Removing break before 34 # jumping subtree containing T0136:I 281 (70) jump= 0.988936 -0.0489182 0.113286 -0.0823346 24.4815 25.6414 10.2093 # jumping subtree containing T0136:V 237 (26) jump= 0.820095 0.470616 -0.0784416 0.315929 52.9752 -53.9651 -110.508 # generation 85: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 65 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 311 ## OptSubtree 1289 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= -0.601062 -0.420459 -0.0200564 0.679364 -102.672 64.5788 -96.1213 # jumping subtree containing T0136:V 211 (0) jump= 0.895855 -0.114923 -0.26236 0.339712 -22.1671 -3.07061 17.4588 # jumping subtree containing T0136:N 315 (104) jump= -0.741272 -0.295461 0.60125 0.0414236 -20.565 -13.9003 -153.628 # jumping subtree containing T0136:P 274 (63) jump= -0.874046 0.38618 0.05419 0.289779 -32.0517 160.621 -7.3674 # jumping subtree containing T0136:E 245 (34) jump= -0.992778 0.077595 0.0825489 0.039464 -46.578 39.2041 15.4536 # jumping subtree containing T0136:N 315 (104) jump= -0.74956 0.384232 0.146617 0.51868 -58.9131 173.713 -20.7937 # jumping subtree containing T0136:P 274 (63) jump= 0.754976 -0.363346 -0.520051 0.165947 -98.0661 50.0979 -74.2648 # jumping subtree containing T0136:P 274 (63) jump= 0.861291 -0.418584 0.130328 -0.256866 33.6002 146.861 23.66 # Removing break before 63 # jumping subtree containing T0136:P 274 (63) jump= -0.708114 -0.193201 -0.000704271 0.679152 -85.9988 97.3929 -7.35763 # jumping subtree containing T0136:N 315 (104) jump= -0.358584 -0.320866 0.710293 -0.513758 118.115 -23.6379 -127.929 # generation 86: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.0532 cost/residue, 161 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 67 ## CrossAndInsert 50 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 311 ## OptSubtree 1311 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= -0.97991 -0.0559134 0.148274 0.121102 -26.1194 -2.07869 -18.4067 # jumping subtree containing T0136:F 254 (43) jump= -0.480546 -0.875562 0.00155344 -0.0496403 -10.4582 44.9783 -240.132 # jumping subtree containing T0136:N 315 (104) jump= 0.0747504 0.725115 -0.0919016 0.678362 161.136 144.736 -121.702 # jumping subtree containing T0136:N 315 (104) jump= 0.814785 -0.55152 -0.00940471 0.1785 -2.2127 125.526 17.441 # jumping subtree containing T0136:E 245 (34) jump= -0.444893 -0.0477618 0.81397 -0.370462 6.89531 -75.8556 -138.884 # generation 87: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.03 cost/residue, 159 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 69 ## CrossAndInsert 51 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 311 ## OptSubtree 1332 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= -0.0549253 -0.92208 0.289361 0.251042 -9.97079 179.599 -199.144 # jumping subtree containing T0136:N 315 (104) jump= -0.249206 0.727632 0.158644 -0.619096 -59.608 148.429 -53.2169 # jumping subtree containing T0136:E 245 (34) jump= 0.522709 0.383002 0.122279 0.751753 178.873 55.6157 -100.6 # jumping subtree containing T0136:N 315 (104) jump= 0.418358 0.829816 0.0128397 0.369077 94.369 80.6968 -202.591 # jumping subtree containing T0136:L 255 (44) jump= 0.14986 0.675953 -0.278897 -0.665467 -44.5519 186.501 -131.503 # generation 88: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.03 cost/residue, 159 clashes 0.0465463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 403 ## TwoFragment 3 ## CrossOver 70 ## CrossAndInsert 51 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 313 ## OptSubtree 1353 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 85 # jumping subtree containing T0136:S 253 (42) jump= -0.926851 0.115014 0.116527 -0.337848 9.38912 19.0942 31.0982 # jumping subtree containing T0136:S 253 (42) jump= 0.272137 0.135361 -0.949272 0.0806269 47.0322 -33.6515 -229.554 # jumping subtree containing T0136:P 274 (63) jump= -0.129539 0.0901084 -0.980157 0.119964 139.389 -26.6412 -182.068 # jumping subtree containing T0136:N 315 (104) jump= -0.940118 -0.200768 -0.0398279 -0.272552 58.8674 -35.4736 -49.1082 # jumping subtree containing T0136:S 253 (42) jump= 0.45653 0.46476 0.670131 0.355673 90.3577 19.1649 -193.779 # jumping subtree containing T0136:P 274 (63) jump= 0.0123632 0.821064 0.179273 -0.541814 -95.9415 127.012 -112.481 # jumping subtree containing T0136:S 253 (42) jump= -0.84176 0.24731 -0.139269 0.459218 -12.0613 88.4263 48.4709 # jumping subtree containing T0136:P 274 (63) jump= 0.609739 0.465963 0.221483 0.601699 200.917 12.8646 -140.396 # generation 89: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9638 cost/residue, 147 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 404 ## TwoFragment 3 ## CrossOver 70 ## CrossAndInsert 51 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 319 ## OptSubtree 1378 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.27362 -0.244367 0.468056 0.803953 75.9225 222.843 -105.886 # jumping subtree containing T0136:S 253 (42) jump= -0.319608 -0.596283 0.437608 -0.59228 159.442 51.2113 -133.971 # jumping subtree containing T0136:V 237 (26) jump= -0.618606 0.77891 0.102478 -0.0111384 -43.9117 218.649 -88.8222 # jumping subtree containing T0136:P 274 (63) jump= -0.0642504 0.608016 -0.594729 0.522002 211.898 93.0485 -132.911 # jumping subtree containing T0136:P 274 (63) jump= 0.363213 -0.594356 0.321229 -0.641583 137.147 183.911 -54.7485 # jumping subtree containing T0136:L 255 (44) jump= 0.447964 -0.128546 0.523035 0.71361 160.435 158.037 -99.4809 # jumping subtree containing T0136:S 253 (42) jump= -0.775292 -0.149838 0.401045 -0.464364 46.2473 -27.3986 -68.8651 # jumping subtree containing T0136:N 315 (104) jump= -0.836603 0.0127969 0.126974 0.532737 -70.2429 113.885 -18.2908 # Removing break before 34 # jumping subtree containing T0136:P 274 (63) jump= 0.315772 -0.0399958 -0.878728 -0.355704 0.499184 74.0119 -227.039 # jumping subtree containing T0136:S 253 (42) jump= -0.0186793 0.271706 0.788283 0.551758 73.8763 164.463 -245.981 # jumping subtree containing T0136:S 253 (42) jump= -0.353414 -0.218279 -0.909632 -0.00466787 73.6128 -2.27462 -181.119 # jumping subtree containing T0136:S 253 (42) jump= -0.318175 0.735445 -0.582211 0.137536 159.039 183.116 -151.372 # generation 90: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9638 cost/residue, 147 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 404 ## TwoFragment 3 ## CrossOver 70 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 321 ## OptSubtree 1399 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.296909 -0.892046 -0.340688 -0.00549208 -88.8172 172.504 -145.812 # jumping subtree containing T0136:S 253 (42) jump= -0.398085 0.482385 0.124516 0.770278 45.9011 222.114 -67.2083 # jumping subtree containing T0136:S 253 (42) jump= 0.731535 0.218184 -0.361568 0.535277 75.8526 -55.1713 -74.225 # jumping subtree containing T0136:I 296 (85) jump= -0.639185 0.215201 -0.736819 0.047213 147.932 42.0734 -50.9441 # jumping subtree containing T0136:V 211 (0) jump= -0.966647 -0.151802 0.170649 0.115881 -71.8578 -5.66496 -58.418 # jumping subtree containing T0136:S 253 (42) jump= -0.73193 0.629812 -0.0889278 -0.244352 33.4833 202.796 15.3432 # jumping subtree containing T0136:V 237 (26) jump= 0.81429 0.541454 -0.129626 0.164183 46.9632 -48.4702 -150.591 # jumping subtree containing T0136:E 245 (34) jump= -0.450789 -0.105091 0.743655 0.482413 -76.8999 138.51 -241.442 # generation 91: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9638 cost/residue, 147 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 404 ## TwoFragment 3 ## CrossOver 72 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 327 ## OptSubtree 1425 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.220923 0.326328 0.876524 0.276422 -37.1417 84.844 -236.534 # jumping subtree containing T0136:N 315 (104) jump= -0.953352 0.250949 0.125656 -0.111156 -11.4248 43.4338 20.8941 # jumping subtree containing T0136:N 315 (104) jump= 0.433649 0.88548 -0.152243 0.0685266 48.0255 52.6849 -241.609 # jumping subtree containing T0136:S 253 (42) jump= -0.516545 0.375159 -0.165249 0.751751 48.308 152.519 -0.203587 # jumping subtree containing T0136:E 245 (34) jump= 0.0954455 0.823813 -0.297802 0.472795 135.321 114.912 -179.001 # jumping subtree containing T0136:E 245 (34) jump= 0.982137 -0.0755582 -0.163225 0.0552729 -19.1686 25.1073 -16.5814 # jumping subtree containing T0136:P 274 (63) jump= 0.228506 -0.613228 -0.310128 -0.689607 73.8744 201.43 -172.153 # jumping subtree containing T0136:N 315 (104) jump= 0.406098 -0.289489 0.796329 0.342258 140.925 128.589 -122.263 # jumping subtree containing T0136:N 267 (56) jump= -0.980041 0.159636 -0.115182 0.0277267 20.9949 67.7982 38.7149 # jumping subtree containing T0136:S 253 (42) jump= -0.334979 -0.0115364 -0.518552 0.786613 52.2528 11.0873 33.1012 # generation 92: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9638 cost/residue, 147 clashes 0.0634275 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 404 ## TwoFragment 3 ## CrossOver 76 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 329 ## OptSubtree 1443 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.0746284 0.724195 0.194853 0.657271 107.766 149.743 -185.381 # jumping subtree containing T0136:N 267 (56) jump= 0.116198 -0.681117 -0.651121 -0.314035 -14.7216 106.821 -236.866 # jumping subtree containing T0136:E 245 (34) jump= 0.996864 0.00918064 -0.0464856 0.0633764 5.19191 6.69321 9.248 # jumping subtree containing T0136:P 274 (63) jump= -0.976237 -0.0608227 -0.205516 0.0320077 20.7789 -23.5473 -8.2921 # jumping subtree containing T0136:P 274 (63) jump= 0.73249 -0.00506645 0.127383 -0.668734 -38.9074 116.449 14.5736 # jumping subtree containing T0136:L 252 (41) jump= 0.312801 0.0892126 0.427041 -0.843702 30.7565 43.664 9.56894 # jumping subtree containing T0136:N 315 (104) jump= 0.000270478 0.772728 -0.444063 0.45354 142.832 125.984 -154.666 # jumping subtree containing T0136:L 255 (44) jump= 0.466743 0.834546 0.285464 0.0647651 5.54405 42.5761 -233.403 # jumping subtree containing T0136:N 315 (104) jump= 0.988069 -0.133523 -0.0457955 0.061589 22.7978 18.3215 23.8515 # jumping subtree containing T0136:E 245 (34) jump= -0.0739515 -0.521982 0.724568 0.443922 10.0158 167.466 -266.343 # jumping subtree containing T0136:N 315 (104) jump= -0.104448 -0.323016 0.816547 0.466908 68.5128 120.831 -211.238 # jumping subtree containing T0136:P 274 (63) jump= 0.547061 -0.64347 -0.124511 0.520738 -37.0623 141.683 27.4051 # jumping subtree containing T0136:S 253 (42) jump= -0.637794 -0.434853 0.618513 0.146846 -21.8735 35.9861 -215.592 # jumping subtree containing T0136:P 274 (63) jump= 0.616425 0.274764 -0.684774 -0.274973 -79.2836 64.4874 -206.161 # jumping subtree containing T0136:P 274 (63) jump= -0.999899 -0.0120444 -0.00731104 -0.00175447 11.3212 16.9627 8.65904 # jumping subtree containing T0136:P 274 (63) jump= 0.802803 -0.0378483 -0.214753 -0.554937 -95.3874 129.571 -48.7707 # generation 93: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9539 cost/residue, 144 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 405 ## TwoFragment 3 ## CrossOver 78 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 329 ## OptSubtree 1464 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.98832 0.0773635 0.0614766 -0.116015 16.4573 -19.5573 -5.2505 # jumping subtree containing T0136:S 253 (42) jump= -0.977737 -0.186847 0.0729003 0.0616752 -10.9922 -12.3264 -35.675 # jumping subtree containing T0136:N 315 (104) jump= -0.508692 0.790001 0.300377 -0.164025 -76.5759 127.155 -75.6389 # jumping subtree containing T0136:P 274 (63) jump= 0.241335 -0.356939 -0.889259 0.153529 -48.7628 -13.2209 -188.923 # jumping subtree containing T0136:P 274 (63) jump= 0.961025 -0.220255 -0.0698357 0.151796 19.5738 54.4241 5.47062 # jumping subtree containing T0136:S 253 (42) jump= 0.745318 0.522169 0.302206 -0.283746 -31.9406 -48.7962 -110.843 # jumping subtree containing T0136:I 296 (85) jump= 0.391114 0.286042 -0.633745 0.602974 98.6119 -35.9196 -117.39 # jumping subtree containing T0136:P 274 (63) jump= 0.847802 -0.190888 0.169509 -0.464822 32.9264 91.7691 19.892 # jumping subtree containing T0136:E 245 (34) jump= -0.157128 -0.369533 -0.324259 -0.856512 136.855 189.256 -155.592 # jumping subtree containing T0136:F 236 (25) jump= 0.853605 -0.303601 -0.362972 -0.217799 -78.1125 118.45 -61.0684 # generation 94: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9539 cost/residue, 144 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 405 ## TwoFragment 3 ## CrossOver 79 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 329 ## OptSubtree 1487 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 237 (26) jump= 0.995696 0.0704306 -0.0373053 0.0473036 4.38888 -0.439981 -8.87563 # jumping subtree containing T0136:I 296 (85) jump= 0.303566 0.710765 0.0979928 0.626944 157.903 98.7719 -169.066 # jumping subtree containing T0136:S 253 (42) jump= -0.118 0.567446 0.412771 0.702639 73.867 236.439 -185.245 # jumping subtree containing T0136:E 245 (34) jump= -0.639625 0.733858 -0.199808 0.111396 67.9113 225.638 -65.8291 # jumping subtree containing T0136:P 274 (63) jump= 0.938502 0.0262219 0.189223 0.287612 89.8213 -14.2278 19.008 # generation 95: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9539 cost/residue, 144 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 405 ## TwoFragment 3 ## CrossOver 80 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 335 ## OptSubtree 1513 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.805369 0.35876 0.414752 0.22506 -97.5116 131.96 -75.7112 # jumping subtree containing T0136:S 253 (42) jump= 0.994259 -0.0271234 -0.102591 -0.0137148 -16.7461 -8.00985 -11.8005 # jumping subtree containing T0136:P 274 (63) jump= 0.882824 0.069823 -0.43471 -0.16363 -101.058 12.8223 -84.5356 # jumping subtree containing T0136:N 315 (104) jump= 0.818218 -0.562994 -0.0510704 0.104638 3.72567 119.119 33.9032 # jumping subtree containing T0136:L 252 (41) jump= 0.401676 0.228628 -0.547034 0.697954 103.236 -25.1461 -71.4332 # jumping subtree containing T0136:L 255 (44) jump= 0.794393 0.0782194 -0.162985 0.579877 90.3682 -3.10053 -2.19275 # jumping subtree containing T0136:N 315 (104) jump= -0.986727 0.00445836 -0.0204894 -0.161028 37.3344 -35.1528 -5.0987 # jumping subtree containing T0136:S 253 (42) jump= -0.0889457 0.434915 0.818858 0.363881 21.6414 108.678 -247.562 # jumping subtree containing T0136:V 211 (0) jump= 0.685221 -0.114159 -0.719234 -0.0119198 -63.8654 34.5493 -139.14 # jumping subtree containing T0136:S 253 (42) jump= 0.894237 0.192535 0.399832 0.0583449 85.8406 -43.6621 -34.072 # jumping subtree containing T0136:S 253 (42) jump= 0.634578 0.170809 -0.641763 0.395316 28.6639 -69.748 -140.114 # jumping subtree containing T0136:S 253 (42) jump= 0.96509 -0.218044 0.14348 -0.021732 47.5306 67.8305 42.4141 # jumping subtree containing T0136:N 315 (104) jump= -0.864096 0.416149 -0.274631 0.0688116 75.9843 91.8597 45.9 # jumping subtree containing T0136:V 211 (0) jump= -0.987568 0.0428688 -0.101695 0.111941 27.6275 0.906532 14.3569 # jumping subtree containing T0136:N 267 (56) jump= -0.0493752 -0.917963 0.0193783 -0.393103 83.0495 159.665 -209.012 # jumping subtree containing T0136:P 274 (63) jump= -0.980709 -0.166998 -0.0998631 -0.0186757 44.5262 -32.4758 -9.06183 # jumping subtree containing T0136:P 274 (63) jump= 0.974221 -0.0632006 -0.213962 0.0334619 -43.5536 -8.87217 -9.01618 # jumping subtree containing T0136:P 274 (63) jump= 0.990025 0.0236875 0.0433111 0.131958 33.6864 -28.5569 22.6939 # jumping subtree containing T0136:N 315 (104) jump= -0.206146 0.519567 0.0966901 -0.823532 -9.55624 132.528 -21.6271 # generation 96: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9292 cost/residue, 151 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 407 ## TwoFragment 3 ## CrossOver 81 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 338 ## OptSubtree 1531 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.906016 -0.401011 -0.135361 0.0014361 -30.3401 82.5368 6.61724 # jumping subtree containing T0136:N 315 (104) jump= 0.732801 0.239803 -0.610648 0.180573 -56.5804 -53.8015 -146.402 # jumping subtree containing T0136:S 253 (42) jump= 0.199572 0.211151 -0.668208 -0.684897 15.2184 210.664 -192.973 # jumping subtree containing T0136:N 259 (48) jump= -0.823045 -0.409 -0.371092 -0.132693 67.1051 -30.5194 -126.114 # jumping subtree containing T0136:E 245 (34) jump= 0.236233 0.964489 0.0399879 -0.111157 -42.5531 102.649 -263.696 # jumping subtree containing T0136:P 274 (63) jump= 0.254738 -0.462699 0.84891 0.0192351 196.667 92.5803 -157.44 # jumping subtree containing T0136:P 274 (63) jump= 0.973515 0.228302 -0.00673915 -0.0100225 -10.8048 -15.3006 -36.2938 # jumping subtree containing T0136:S 253 (42) jump= 0.998233 -0.0278622 0.0449631 -0.0270555 27.5859 16.1287 1.82647 # jumping subtree containing T0136:V 237 (26) jump= 0.355352 -0.137022 0.856373 0.348678 104.092 59.9642 -172.956 # jumping subtree containing T0136:N 315 (104) jump= 0.363326 0.851099 -0.35782 0.124859 63.2064 79.8552 -236.491 # jumping subtree containing T0136:P 274 (63) jump= -0.129616 0.864023 -0.0667141 -0.481885 -36.3562 204.346 -126.528 # jumping subtree containing T0136:S 253 (42) jump= 0.999751 0.00513681 0.0129037 0.0174882 12.6926 12.4653 13.2968 # jumping subtree containing T0136:S 253 (42) jump= 0.91037 0.178133 0.323883 -0.185996 35.3873 -33.6242 -20.3481 # jumping subtree containing T0136:N 315 (104) jump= -0.528086 -0.526469 -0.0912227 -0.660026 173.023 49.0854 -150.86 # jumping subtree containing T0136:S 253 (42) jump= -0.988829 0.00172701 0.0163219 -0.148147 7.01038 -1.63508 18.5898 # jumping subtree containing T0136:V 237 (26) jump= -0.629401 0.077707 0.699353 -0.32973 -63.2152 -16.2647 -96.034 # jumping subtree containing T0136:S 253 (42) jump= 0.42439 -0.30072 0.783117 -0.340865 181.78 32.5218 -54.6638 # jumping subtree containing T0136:S 253 (42) jump= 0.661236 0.16752 -0.641786 0.350449 28.0422 -76.0449 -92.9912 # generation 97: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9292 cost/residue, 151 clashes 0.0634277 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 408 ## TwoFragment 3 ## CrossOver 85 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 341 ## OptSubtree 1550 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.30018 0.136031 0.0445843 0.94308 145.378 141.533 -18.4251 # jumping subtree containing T0136:K 309 (98) jump= 0.625874 0.482477 -0.611321 0.0422466 -13.4521 -58.0425 -207.611 # jumping subtree containing T0136:V 211 (0) jump= -0.56727 -0.79985 0.129543 -0.147184 62.6541 17.7774 -237.783 # jumping subtree containing T0136:I 296 (85) jump= 0.783308 0.560456 0.137951 0.230841 85.7977 -63.205 -146.618 # jumping subtree containing T0136:E 245 (34) jump= 0.418421 0.785221 0.448135 0.0867549 11.3596 47.4144 -252.667 # jumping subtree containing T0136:P 274 (63) jump= 0.887958 -0.101615 -0.194287 -0.404299 -63.2586 94.2533 -51.2188 # jumping subtree containing T0136:S 253 (42) jump= -0.995635 0.0606086 0.0522328 0.0480565 -21.4099 14.1495 28.0207 # jumping subtree containing T0136:L 255 (44) jump= -0.641668 0.109541 0.0691117 0.755968 -44.801 149.069 -7.43576 # generation 98: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9058 cost/residue, 154 clashes 0.0634276 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 408 ## TwoFragment 3 ## CrossOver 86 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 344 ## OptSubtree 1576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.520732 0.695408 0.39641 -0.296826 -110.831 113.686 -37.4292 # jumping subtree containing T0136:P 274 (63) jump= -0.915811 0.0803923 -0.286924 -0.269263 106.915 20.2475 -24.8257 # jumping subtree containing T0136:P 274 (63) jump= 0.757462 -0.101054 -0.189191 -0.616641 -51.1322 134.96 -18.1627 # jumping subtree containing T0136:P 274 (63) jump= 0.169755 -0.115478 0.586288 -0.783655 125.046 25.3335 18.3523 # jumping subtree containing T0136:I 296 (85) jump= -0.351568 0.427766 0.411124 -0.72415 -3.00164 49.6063 30.6105 # jumping subtree containing T0136:V 237 (26) jump= -0.352557 -0.180334 -0.468144 -0.789952 160.878 147.733 -131.465 # Removing break before 56 # jumping subtree containing T0136:P 274 (63) jump= -0.923144 0.00702054 -0.265249 -0.278208 85.8139 8.07706 -6.0767 # jumping subtree containing T0136:I 296 (85) jump= -0.962348 -0.0486027 0.233839 -0.129782 -12.7315 -46.1718 -22.2336 # jumping subtree containing T0136:S 253 (42) jump= -0.999875 -0.00222142 -0.0121758 0.00988761 -17.344 -2.9685 7.06295 # jumping subtree containing T0136:N 275 (64) jump= 0.898607 -0.406934 0.081622 0.142292 36.7826 119.376 14.1667 # generation 99: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9057 cost/residue, 154 clashes 0.0634283 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 408 ## TwoFragment 3 ## CrossOver 88 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 347 ## OptSubtree 1595 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= 0.994343 -0.103078 0.0249207 -0.00597807 21.1214 30.7568 17.1963 # Removing break before 85 # jumping subtree containing T0136:N 267 (56) jump= 0.0600384 -0.189928 0.323485 0.92503 36.4294 269.635 -76.1675 # jumping subtree containing T0136:P 274 (63) jump= 0.726458 -0.682598 0.0733846 -0.030541 18.4766 222.321 -7.71013 # jumping subtree containing T0136:I 296 (85) jump= 0.975834 -0.0154069 -0.00601463 -0.217884 -37.8454 34.6841 8.48594 # jumping subtree containing T0136:P 274 (63) jump= -0.995195 -0.0732207 0.00204346 -0.0649777 1.58032 1.59342 -8.86831 # jumping subtree containing T0136:Y 305 (94) jump= 0.219282 0.256465 0.122682 0.933322 201.271 242.007 -70.0889 # jumping subtree containing T0136:S 253 (42) jump= -0.999966 -0.00296039 0.00315073 -0.0070111 15.5601 19.7941 -1.66975 # jumping subtree containing T0136:I 296 (85) jump= -0.069772 -0.95294 0.294316 -0.0203843 32.5581 152.82 -261.52 # generation 100: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.9029 cost/residue, 154 clashes 0.0634279 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 408 ## TwoFragment 3 ## CrossOver 88 ## CrossAndInsert 51 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 15 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 353 ## OptSubtree 1621 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1899877417.pdb -s /projects/compbio/tmp/to_scwrl_1899877417.seq -o /projects/compbio/tmp/from_scwrl_1899877417.pdb -a /projects/compbio/tmp/from_scwrl_1899877417_a.pdb -b /projects/compbio/tmp/from_scwrl_1899877417_b.pdb > /projects/compbio/tmp/scwrl_1899877417.log # T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA-scwrl 63.6272 cost/residue 154 clashes 0.0634279 breaks # iteration 6 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1 72.8261 cost/residue, 250 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 22 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 0 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.2897 cost/residue, 207 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 37 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.2897 cost/residue, 207 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 55 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10 71.8107 cost/residue, 193 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 74 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10 71.1558 cost/residue, 140 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 92 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10 71.1075 cost/residue, 237 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 108 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10 70.643 cost/residue, 145 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 122 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 11 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10 70.643 cost/residue, 145 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 136 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 13 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10 70.2707 cost/residue, 235 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 151 ## TwoFragment 4 ## CrossOver 6 ## CrossAndInsert 14 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10 69.5091 cost/residue, 194 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 164 ## TwoFragment 4 ## CrossOver 6 ## CrossAndInsert 16 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10 69.1965 cost/residue, 184 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 178 ## TwoFragment 4 ## CrossOver 7 ## CrossAndInsert 16 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10 69.0922 cost/residue, 173 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 192 ## TwoFragment 4 ## CrossOver 9 ## CrossAndInsert 16 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.755394 0.127696 -0.150815 -0.624762 16.2432 6.2921 -16.8571 # generation 13: best score out of 40: T0136.try1-al10 68.2287 cost/residue, 207 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 207 ## TwoFragment 4 ## CrossOver 10 ## CrossAndInsert 17 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.980966 -0.0845712 -0.174231 0.0140395 12.7063 10.0452 10.8867 # generation 14: best score out of 40: T0136.try1-al10 68.2287 cost/residue, 207 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 219 ## TwoFragment 5 ## CrossOver 12 ## CrossAndInsert 18 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 9 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.999908 0.0100308 0.0082225 -0.00403742 17.8772 8.48736 21.6468 # generation 15: best score out of 40: T0136.try1-al10 68.0318 cost/residue, 198 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 232 ## TwoFragment 5 ## CrossOver 14 ## CrossAndInsert 18 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 11 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.661534 0.156734 -0.0792134 -0.729063 -6.20353 8.69566 1.87418 # generation 16: best score out of 40: T0136.try1-al10 67.9119 cost/residue, 202 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 243 ## TwoFragment 5 ## CrossOver 20 ## CrossAndInsert 18 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 13 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10 67.9119 cost/residue, 202 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 256 ## TwoFragment 5 ## CrossOver 23 ## CrossAndInsert 21 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 14 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al10 67.9119 cost/residue, 202 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 268 ## TwoFragment 5 ## CrossOver 27 ## CrossAndInsert 22 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 17 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al10 67.4719 cost/residue, 194 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 276 ## TwoFragment 5 ## CrossOver 30 ## CrossAndInsert 24 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 21 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1-al10 67.2412 cost/residue, 199 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 283 ## TwoFragment 6 ## CrossOver 35 ## CrossAndInsert 24 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 23 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0136.try1-al10 66.8874 cost/residue, 174 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 297 ## TwoFragment 6 ## CrossOver 38 ## CrossAndInsert 24 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 24 ## OptSubtree 37 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 291 (80) jump= -0.423411 0.314277 0.263038 -0.807938 -54.6248 59.3964 -12.0802 # Removing break before 82 # jumping subtree containing T0136:V 211 (0) jump= 0.964271 -0.135249 -0.183978 -0.134319 -17.9689 21.8255 29.5865 # Removing break before 74 # jumping subtree containing T0136:R 293 (82) jump= -0.519102 -0.260053 -0.623723 0.523331 -10.307 2.58978 -13.9097 # generation 22: best score out of 40: T0136.try1-al10 66.8873 cost/residue, 174 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 307 ## TwoFragment 6 ## CrossOver 43 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 25 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # generation 23: best score out of 40: T0136.try1-al10 66.6178 cost/residue, 159 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 315 ## TwoFragment 6 ## CrossOver 47 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 28 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 235 (24) jump= -0.839847 -0.0787347 -0.213186 -0.492961 29.2429 39.9243 -36.9322 # Removing break before 40 # Removing break before 99 # generation 24: best score out of 40: T0136.try1-al10 66.6178 cost/residue, 159 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 51 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 34 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.0540466 0.584004 0.387922 0.711009 -54.0038 43.8995 20.8834 # jumping subtree containing T0136:V 211 (0) jump= -0.401032 -0.265193 -0.805377 -0.346719 -13.0415 24.7484 -72.4969 # jumping subtree containing T0136:V 211 (0) jump= 0.981514 -0.0290063 0.0105205 -0.188887 -30.0354 -11.5261 -9.9123 # generation 25: best score out of 40: T0136.try1-al10 66.6178 cost/residue, 159 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 332 ## TwoFragment 6 ## CrossOver 56 ## CrossAndInsert 24 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 38 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 26: best score out of 40: T0136.try1-al10 66.3878 cost/residue, 160 clashes 0.00916347 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 338 ## TwoFragment 6 ## CrossOver 62 ## CrossAndInsert 26 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 41 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # generation 27: best score out of 40: T0136.try1-al10 66.3623 cost/residue, 168 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 343 ## TwoFragment 6 ## CrossOver 69 ## CrossAndInsert 26 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 45 ## OptSubtree 67 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # Removing break before 82 # Removing break before 82 # generation 28: best score out of 40: T0136.try1-al10 66.073 cost/residue, 151 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 347 ## TwoFragment 7 ## CrossOver 74 ## CrossAndInsert 26 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 50 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 293 (82) jump= 0.141315 -0.601789 0.209883 -0.757515 -14.5432 -18.6754 -2.82286 # jumping subtree containing T0136:V 211 (0) jump= -0.136973 -0.578445 0.188731 -0.781677 -0.0167227 -1.26127 -8.64397 # generation 29: best score out of 40: T0136.try1-al10 66.073 cost/residue, 151 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 350 ## TwoFragment 7 ## CrossOver 77 ## CrossAndInsert 28 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 56 ## OptSubtree 84 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 267 (56) jump= 0.765773 0.0557145 -0.558462 -0.31402 -68.5263 9.39367 -8.41144 # Removing break before 82 # generation 30: best score out of 40: T0136.try1-al10 66.0077 cost/residue, 151 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 353 ## TwoFragment 7 ## CrossOver 81 ## CrossAndInsert 29 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 64 ## OptSubtree 91 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # jumping subtree containing T0136:V 211 (0) jump= -0.839272 -0.40649 -0.0774985 -0.352679 10.9442 -4.26624 -31.4353 # jumping subtree containing T0136:V 211 (0) jump= 0.485223 0.0906283 0.47826 -0.72637 -40.4164 -55.4594 -29.3075 # generation 31: best score out of 40: T0136.try1-al10 65.9929 cost/residue, 160 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 355 ## TwoFragment 7 ## CrossOver 88 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 73 ## OptSubtree 96 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # Removing break before 82 # generation 32: best score out of 40: T0136.try1-al10 65.9929 cost/residue, 160 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 356 ## TwoFragment 7 ## CrossOver 97 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 80 ## OptSubtree 101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.272649 0.474052 0.805145 -0.229518 -117.525 46.4831 -41.031 # jumping subtree containing T0136:V 211 (0) jump= 0.748864 0.0506593 -0.645124 0.14301 -90.1205 -5.24342 1.72146 # Removing break before 82 # generation 33: best score out of 40: T0136.try1-al10 65.7778 cost/residue, 152 clashes 0.00916349 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 360 ## TwoFragment 7 ## CrossOver 103 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 81 ## OptSubtree 113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= 0.581743 -0.501708 -0.324708 0.551751 -47.9429 39.0397 -3.03659 # jumping subtree containing T0136:V 211 (0) jump= 0.529774 0.586295 -0.468489 0.395116 -10.6331 -11.4363 -0.75738 # Removing break moved up 3 to before 88 # generation 34: best score out of 40: T0136.try1-al10 65.7778 cost/residue, 152 clashes 0.00916349 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 364 ## TwoFragment 7 ## CrossOver 110 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 85 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 89 # Removing break before 89 # jumping subtree containing T0136:R 293 (82) jump= -0.771446 0.016517 0.634861 -0.0393839 -48.1988 1.64721 60.3049 # generation 35: best score out of 40: T0136.try1-al10 65.7608 cost/residue, 153 clashes 0.019114 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 370 ## TwoFragment 7 ## CrossOver 116 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 92 ## OptSubtree 132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 293 (82) jump= -0.474527 -0.203456 0.853656 0.0685712 -46.8331 -24.4346 1.22566 # Removing break moved up 3 to before 88 # jumping subtree containing T0136:V 211 (0) jump= 0.956782 0.186861 0.0486472 0.217449 20.0173 -14.2412 -22.2822 # Removing break before 33 # generation 36: best score out of 40: T0136.try1-al10 65.4927 cost/residue, 156 clashes 0.00916349 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 372 ## TwoFragment 7 ## CrossOver 123 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 100 ## OptSubtree 139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.999994 0.000822676 -0.00224848 -0.00252009 -16.5801 -4.21424 19.8735 # jumping subtree containing T0136:G 289 (78) jump= 0.970165 0.156693 0.0234285 0.183516 15.4062 11.1893 -0.0554137 # Removing break before 82 # Removing break before 82 # jumping subtree containing T0136:V 211 (0) jump= 0.901723 -0.214885 -0.312698 -0.207218 -48.4969 37.1937 23.6001 # jumping subtree containing T0136:R 293 (82) jump= -0.962892 0.0752354 -0.259019 -0.00933794 -2.78289 21.6123 -11.1948 # jumping subtree containing T0136:L 221 (10) jump= 0.304602 -0.0479305 -0.833315 0.45881 -95.6502 13.7229 -28.7202 # generation 37: best score out of 40: T0136.try1-al10 65.4926 cost/residue, 156 clashes 0.0091635 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 374 ## TwoFragment 7 ## CrossOver 124 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 112 ## OptSubtree 151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # jumping subtree containing T0136:R 293 (82) jump= 0.663968 0.728426 0.149262 0.0791436 -17.7783 28.4764 -61.8463 # generation 38: best score out of 40: T0136.try1-al10 65.4664 cost/residue, 156 clashes 0.0091635 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 374 ## TwoFragment 7 ## CrossOver 127 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 120 ## OptSubtree 166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # jumping subtree containing T0136:R 293 (82) jump= -0.866154 -0.056325 -0.357994 -0.344158 13.4438 -0.446974 -25.8501 # Removing break before 82 # jumping subtree containing T0136:R 293 (82) jump= -0.967659 -0.0864055 0.0670728 0.227313 -30.2059 -35.8973 3.63121 # jumping subtree containing T0136:V 211 (0) jump= 0.43287 0.362541 0.726709 0.391256 -28.8424 74.872 -87.9804 # Removing break before 27 # jumping subtree containing T0136:R 293 (82) jump= -0.153079 0.849515 0.027937 0.504093 -2.03532 -21.6494 -14.1973 # jumping subtree containing T0136:R 293 (82) jump= -0.702747 -0.125625 -0.530777 -0.456771 39.363 37.2588 -63.2447 # Removing break before 82 # Removing break before 82 # Removing break before 27 # generation 39: best score out of 40: T0136.try1-al10 64.9506 cost/residue, 156 clashes 0.0180209 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 377 ## TwoFragment 7 ## CrossOver 128 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 135 ## OptSubtree 173 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # jumping subtree containing T0136:R 293 (82) jump= 0.669701 -0.733994 -0.11106 -0.0204801 -1.57302 37.9564 -27.5939 # jumping subtree containing T0136:D 280 (69) jump= 0.878572 -0.0768316 0.161344 -0.442918 -20.602 -48.7482 8.44043 # Removing break before 82 # jumping subtree containing T0136:V 211 (0) jump= -0.997718 -0.0505986 0.0445234 -0.00391825 1.37782 -7.24439 1.45409 # generation 40: best score out of 40: T0136.try1-al10 64.9506 cost/residue, 156 clashes 0.0180208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 381 ## TwoFragment 7 ## CrossOver 129 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 146 ## OptSubtree 188 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # jumping subtree containing T0136:V 211 (0) jump= -0.563573 0.520047 0.0194772 -0.641527 -64.7778 83.9145 -22.1865 # jumping subtree containing T0136:I 247 (36) jump= -0.859176 0.403972 -0.251138 0.188554 9.01559 35.0506 -14.5706 # Removing break before 75 # generation 41: best score out of 40: T0136.try1-al10 64.8534 cost/residue, 157 clashes 0.0154034 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 383 ## TwoFragment 7 ## CrossOver 136 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 157 ## OptSubtree 197 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # Removing break before 36 # jumping subtree containing T0136:A 313 (102) jump= 0.989517 -0.124524 -0.035495 -0.0639588 7.84181 19.6203 19.7982 # jumping subtree containing T0136:V 211 (0) jump= -0.999527 0.00274216 0.0301157 -0.00554153 1.55904 -23.0667 -6.84858 # Removing break before 36 # jumping subtree containing T0136:N 269 (58) jump= -0.985705 0.0632889 -0.0537994 -0.146582 -0.962139 28.6812 -13.7164 # generation 42: best score out of 40: T0136.try1-al10 64.6591 cost/residue, 168 clashes 0.00885728 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 386 ## TwoFragment 7 ## CrossOver 139 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 163 ## OptSubtree 209 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:R 293 (82) jump= -0.97792 0.148688 0.0511067 -0.137668 -21.1104 7.71445 0.786428 # Removing break before 82 # jumping subtree containing T0136:V 211 (0) jump= 0.230808 -0.392065 0.834585 -0.310613 -25.7295 -18.2334 -64.5076 # generation 43: best score out of 40: T0136.try1-al10 64.6591 cost/residue, 168 clashes 0.00885728 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 388 ## TwoFragment 7 ## CrossOver 142 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 175 ## OptSubtree 226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= -0.980684 -0.0743528 0.175514 0.0438801 -34.3816 -9.27649 20.2218 # jumping subtree containing T0136:I 247 (36) jump= -0.31638 -0.0947524 0.922465 -0.199959 -50.7167 -26.7049 -56.4159 # jumping subtree containing T0136:R 293 (82) jump= 0.993484 0.00595884 -0.021177 -0.111828 -19.6363 5.72159 6.42926 # jumping subtree containing T0136:G 286 (75) jump= -0.35972 -0.482015 -0.501708 0.621733 -43.1784 -28.0292 -84.9094 # Removing break before 36 # Removing break before 36 # generation 44: best score out of 40: T0136.try1-al10 64.554 cost/residue, 169 clashes 0.00623992 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 388 ## TwoFragment 7 ## CrossOver 147 ## CrossAndInsert 29 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 180 ## OptSubtree 246 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 45: best score out of 40: T0136.try1-al10 64.5072 cost/residue, 152 clashes 0.00885735 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 388 ## TwoFragment 7 ## CrossOver 151 ## CrossAndInsert 29 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 194 ## OptSubtree 258 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 38 # jumping subtree containing T0136:V 308 (97) jump= -0.780245 -0.271828 0.490108 0.277707 -67.0145 -53.4107 -1.3222 # jumping subtree containing T0136:E 307 (96) jump= 0.800489 0.450505 -0.371275 0.135708 -49.1027 -71.4299 19.606 # jumping subtree containing T0136:V 308 (97) jump= -0.952352 -0.232728 0.138628 -0.140165 -26.9092 8.29174 15.2313 # jumping subtree containing T0136:F 265 (54) jump= 0.00623935 0.23875 0.948345 -0.208809 -82.6824 -1.33725 -41.2838 # jumping subtree containing T0136:K 249 (38) jump= 0.972953 0.171441 -0.0189467 -0.153661 -2.54518 -32.4318 -5.24733 # jumping subtree containing T0136:V 308 (97) jump= 0.946038 0.10021 0.103491 -0.290275 -0.983579 -33.1032 -0.932733 # jumping subtree containing T0136:V 308 (97) jump= 0.727027 -0.00431635 0.684038 -0.0592016 -34.6988 -2.28244 -99.6414 # generation 46: best score out of 40: T0136.try1-al10 64.4422 cost/residue, 168 clashes 0.00623992 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 389 ## TwoFragment 7 ## CrossOver 152 ## CrossAndInsert 29 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 205 ## OptSubtree 272 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 36 # Removing break before 36 # generation 47: best score out of 40: T0136.try1-al10 64.3753 cost/residue, 153 clashes 0.00623989 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 391 ## TwoFragment 7 ## CrossOver 156 ## CrossAndInsert 29 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 220 ## OptSubtree 281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 298 (87) jump= -0.440209 -0.252534 -0.17061 -0.844592 -40.984 106.617 -30.5903 # jumping subtree containing T0136:V 308 (97) jump= -0.641826 0.0756374 -0.130042 0.751949 -36.1126 -48.4 15.2061 # jumping subtree containing T0136:V 211 (0) jump= -0.379372 -0.140777 -0.891278 -0.204651 -82.7176 33.7625 -132.607 # jumping subtree containing T0136:I 247 (36) jump= -0.461699 0.19601 0.128319 -0.85554 -90.9565 64.2219 -34.2761 # generation 48: best score out of 40: T0136.try1-al10 64.3753 cost/residue, 153 clashes 0.0062399 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 392 ## TwoFragment 7 ## CrossOver 157 ## CrossAndInsert 29 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 232 ## OptSubtree 300 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= 0.327872 0.496641 0.193476 0.78001 -50.6209 56.8471 11.972 # jumping subtree containing T0136:V 308 (97) jump= 0.148372 0.304375 0.560334 -0.755888 -68.7185 -21.9546 -81.4388 # jumping subtree containing T0136:V 308 (97) jump= -0.640234 0.000215389 -0.673714 -0.369065 11.6369 27.1343 -88.2873 # Removing break before 38 # jumping subtree containing T0136:V 308 (97) jump= -0.1885 -0.259552 0.234704 0.917613 -105.176 -3.63235 -30.316 # generation 49: best score out of 40: T0136.try1-al10 64.2256 cost/residue, 155 clashes 0.00578282 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 394 ## TwoFragment 7 ## CrossOver 162 ## CrossAndInsert 29 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 242 ## OptSubtree 313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # jumping subtree containing T0136:V 308 (97) jump= 0.585487 -0.691877 -0.334763 -0.257767 -27.3217 46.4493 -7.13299 # jumping subtree containing T0136:K 249 (38) jump= -0.309768 0.343329 0.172149 -0.869789 -45.8406 19.2815 -26.6108 # jumping subtree containing T0136:V 211 (0) jump= 0.598227 0.252716 -0.737095 0.186953 -78.0806 -22.3647 -5.14498 # jumping subtree containing T0136:K 298 (87) jump= -0.989299 0.0260084 0.0646118 0.128208 3.69934 -8.85292 25.7371 # Removing break before 38 # generation 50: best score out of 40: T0136.try1-al10 64.0748 cost/residue, 152 clashes 0.0202777 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 395 ## TwoFragment 7 ## CrossOver 166 ## CrossAndInsert 29 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 253 ## OptSubtree 328 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= -0.953385 -0.106771 0.0866653 0.268599 4.43213 -18.0991 -10.0833 # Removing break before 39 # jumping subtree containing T0136:V 308 (97) jump= 0.971649 -0.155426 -0.00403984 -0.178114 20.3099 12.7291 4.03278 # jumping subtree containing T0136:V 308 (97) jump= -0.825183 -0.541378 -0.111911 -0.11601 -8.55088 -20.6886 -20.3693 # jumping subtree containing T0136:V 308 (97) jump= -0.983483 0.0908874 0.137795 0.0742536 -30.205 1.32118 33.0492 # generation 51: best score out of 40: T0136.try1-al10 64.0748 cost/residue, 152 clashes 0.0202777 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 395 ## TwoFragment 7 ## CrossOver 167 ## CrossAndInsert 29 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 266 ## OptSubtree 342 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:K 250 (39) jump= 0.835844 -0.0161177 -0.12673 0.533896 -49.5221 22.1673 9.25949 # jumping subtree containing T0136:I 247 (36) jump= 0.942555 0.125569 -0.238243 0.197643 -13.3665 -21.3644 -7.1112 # jumping subtree containing T0136:K 250 (39) jump= -0.685094 0.728238 -0.0152953 -0.0090512 4.35737 4.4571 -30.2136 # generation 52: best score out of 40: T0136.try1-al10 64.0188 cost/residue, 190 clashes 0.0140378 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 398 ## TwoFragment 7 ## CrossOver 175 ## CrossAndInsert 30 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 273 ## OptSubtree 354 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= -0.224437 0.0190225 0.170553 -0.959259 -57.7756 32.9908 6.28491 # jumping subtree containing T0136:G 286 (75) jump= -0.715752 -0.0727464 0.291254 0.630538 -76.114 15.9685 3.8098 # jumping subtree containing T0136:K 298 (87) jump= 0.993698 -0.0586066 -0.00337478 0.0954887 -7.43005 9.09012 -10.6382 # Removing break before 39 # generation 53: best score out of 40: T0136.try1-al10 63.4047 cost/residue, 151 clashes 0.0198206 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 398 ## TwoFragment 7 ## CrossOver 181 ## CrossAndInsert 30 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 284 ## OptSubtree 369 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:V 308 (97) jump= 0.862045 -0.221166 0.417793 -0.182791 25.7821 -23.1405 -54.0297 # Removing break before 36 # jumping subtree containing T0136:V 308 (97) jump= 0.546006 0.0563018 0.524532 -0.650826 -35.4831 -54.8526 -26.4751 # jumping subtree containing T0136:V 308 (97) jump= 0.928993 0.0240724 0.333453 -0.158748 14.9822 -8.64948 -37.5569 # Removing break before 41 # jumping subtree containing T0136:V 308 (97) jump= -0.998802 0.0341286 0.0225726 -0.026837 -26.6619 22.5612 -0.761821 # Removing break before 41 # generation 54: best score out of 40: T0136.try1-al10 63.403 cost/residue, 151 clashes 0.0198205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 400 ## TwoFragment 7 ## CrossOver 183 ## CrossAndInsert 30 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 296 ## OptSubtree 384 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.854784 -0.119379 -0.505064 -0.00166693 6.26239 -21.8112 -78.2821 # jumping subtree containing T0136:G 286 (75) jump= -0.562753 0.193952 -0.0840401 0.799143 -42.8439 -0.86907 -15.6111 # jumping subtree containing T0136:I 247 (36) jump= 0.904254 0.304137 -0.281311 -0.103389 -47.9606 -27.7797 -7.06448 # jumping subtree containing T0136:P 283 (72) jump= -0.95869 0.224741 -0.0719208 0.158847 -16.1906 24.346 -17.4875 # jumping subtree containing T0136:V 308 (97) jump= 0.752032 -0.422965 0.425965 0.272218 -2.48648 25.6507 -66.6719 # generation 55: best score out of 40: T0136.try1-al10 63.4028 cost/residue, 151 clashes 0.0198208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 401 ## TwoFragment 7 ## CrossOver 187 ## CrossAndInsert 30 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 314 ## OptSubtree 393 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 298 (87) jump= -0.273655 0.165724 0.846604 0.425335 -103.707 43.1357 -65.7047 # jumping subtree containing T0136:K 250 (39) jump= 0.991391 -0.0781627 -0.0323937 -0.0999223 10.1165 -5.0862 13.226 # generation 56: best score out of 40: T0136.try1-al10 63.2454 cost/residue, 151 clashes 0.0112816 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 402 ## TwoFragment 7 ## CrossOver 190 ## CrossAndInsert 30 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 329 ## OptSubtree 406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= -0.198511 -0.165848 0.6954 0.670453 -128.179 70.3082 -102.87 # jumping subtree containing T0136:K 250 (39) jump= -0.539923 0.269038 0.777005 0.179901 -139.993 64.2405 -40.1116 # jumping subtree containing T0136:V 308 (97) jump= -0.994678 0.0913445 0.0262107 0.0398074 -17.8381 21.6929 19.9311 # generation 57: best score out of 40: T0136.try1-al10 63.1107 cost/residue, 153 clashes 0.0205456 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 403 ## TwoFragment 7 ## CrossOver 192 ## CrossAndInsert 30 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 338 ## OptSubtree 425 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= 0.400866 -0.825647 -0.13658 0.372772 -46.0141 19.2729 -115.427 # Removing break before 41 # jumping subtree containing T0136:I 247 (36) jump= 0.993037 0.113399 0.0267803 -0.0173208 6.21919 -32.7539 1.88959 # Removing break before 36 # jumping subtree containing T0136:V 308 (97) jump= -0.78327 0.483743 0.323495 -0.218707 -35.285 57.7118 -47.1337 # jumping subtree containing T0136:V 211 (0) jump= -0.531137 -0.187206 -0.516545 0.645003 -47.8569 -77.798 -59.5 # generation 58: best score out of 40: T0136.try1-al10 63.1107 cost/residue, 153 clashes 0.0205455 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 403 ## TwoFragment 7 ## CrossOver 195 ## CrossAndInsert 30 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 350 ## OptSubtree 443 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= -0.190028 -0.152933 0.966343 0.0817441 -91.8064 20.9829 -77.9987 # Removing break before 36 # jumping subtree containing T0136:V 211 (0) jump= 0.368516 0.332769 0.0909175 -0.863247 -118.142 -40.8229 -67.2776 # generation 59: best score out of 40: T0136.try1-al10 63.1106 cost/residue, 153 clashes 0.0205457 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 403 ## TwoFragment 7 ## CrossOver 199 ## CrossAndInsert 30 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 363 ## OptSubtree 457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:I 247 (36) jump= 0.26127 -0.210781 -0.414664 0.845792 -121.41 26.7517 -26.948 # jumping subtree containing T0136:V 211 (0) jump= -0.796309 0.376286 -0.464723 0.0912877 41.2572 55.8093 -72.7017 # jumping subtree containing T0136:H 227 (16) jump= -0.726421 -0.180305 -0.168075 0.641524 -83.8359 -18.9909 -22.1817 # jumping subtree containing T0136:H 227 (16) jump= 0.999884 -0.00757368 0.00969808 0.00892136 3.64246 -10.5575 6.32125 # jumping subtree containing T0136:I 247 (36) jump= 0.718035 0.117339 0.207668 0.653858 1.35381 80.6604 -43.6153 # jumping subtree containing T0136:I 247 (36) jump= -0.0612722 0.445213 0.248036 0.858201 -1.45976 118.626 -9.19966 # jumping subtree containing T0136:A 313 (102) jump= 0.764815 -0.368967 -0.506501 -0.149594 -68.3622 67.2955 -28.8086 # generation 60: best score out of 40: T0136.try1-al10 63.1106 cost/residue, 153 clashes 0.0205456 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 403 ## TwoFragment 7 ## CrossOver 203 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 370 ## OptSubtree 472 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 288 (77) jump= 0.969622 -0.0446297 -0.236746 0.042342 -49.5281 23.1635 6.12042 # jumping subtree containing T0136:N 270 (59) jump= 0.771583 -0.409893 -0.272853 0.402739 -66.2212 65.4079 -25.1089 # jumping subtree containing T0136:I 247 (36) jump= -0.49464 0.292 0.717129 0.394708 -86.394 103.752 -100.415 # Removing break before 36 # jumping subtree containing T0136:L 252 (41) jump= -0.937597 -0.0599976 0.336868 -0.061909 -81.3293 5.21477 -16.0237 # Removing break before 36 # jumping subtree containing T0136:H 227 (16) jump= -0.99243 -0.00738392 -0.0994203 0.0717218 21.3805 -24.9804 -3.52409 # generation 61: best score out of 40: T0136.try1-al10 62.9728 cost/residue, 162 clashes 0.0205456 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 404 ## TwoFragment 7 ## CrossOver 209 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 376 ## OptSubtree 486 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= 0.943766 -0.323752 0.0408991 -0.053087 -5.8608 95.447 -1.22672 # jumping subtree containing T0136:G 286 (75) jump= -0.932712 -0.221513 -0.267616 0.0967547 16.3709 -69.9773 -49.6971 # jumping subtree containing T0136:V 211 (0) jump= -0.46905 0.586879 -0.159216 -0.640481 -59.2873 131.009 -94.9624 # Removing break before 36 # jumping subtree containing T0136:V 308 (97) jump= 0.867392 -0.224777 -0.000242684 0.443967 -20.6145 94.1445 -35.459 # Removing break before 41 # Removing break before 36 # Removing break before 36 # generation 62: best score out of 40: T0136.try1-al10 62.9268 cost/residue, 153 clashes 0.011768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 406 ## TwoFragment 7 ## CrossOver 217 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 380 ## OptSubtree 496 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= 0.938059 0.206543 0.0618767 -0.271211 -35.638 -53.2887 -47.051 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:I 247 (36) jump= -0.0295722 -0.190852 0.694925 0.692661 -101.003 128.937 -142.389 # jumping subtree containing T0136:I 247 (36) jump= -0.961774 -0.0299218 -0.271601 -0.0181363 41.4658 -17.3846 -26.3187 # jumping subtree containing T0136:I 247 (36) jump= 0.81017 -0.413431 -0.193147 -0.367958 -69.3594 90.8597 2.88869 # jumping subtree containing T0136:V 211 (0) jump= -0.622151 -0.0791005 -0.732824 -0.263893 33.4312 45.6033 -129.833 # Removing break before 41 # Removing break before 36 # jumping subtree containing T0136:V 308 (97) jump= 0.820091 0.101354 -0.218729 0.518976 -22.0326 8.14657 19.8703 # generation 63: best score out of 40: T0136.try1-al10 62.9268 cost/residue, 153 clashes 0.011768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 406 ## TwoFragment 7 ## CrossOver 225 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 390 ## OptSubtree 511 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= 0.81523 -0.310246 0.48881 0.0145809 42.4407 48.1629 -94.9888 # Removing break before 36 # jumping subtree containing T0136:V 308 (97) jump= -0.951021 0.0411135 0.299508 -0.0645219 -69.5016 34.128 4.37582 # jumping subtree containing T0136:V 308 (97) jump= -0.0446014 0.266676 -0.704476 0.656208 -41.824 -74.3011 -99.6168 # generation 64: best score out of 40: T0136.try1-al10 62.7888 cost/residue, 162 clashes 0.0117679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 409 ## TwoFragment 7 ## CrossOver 229 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 396 ## OptSubtree 530 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= 0.252877 -0.178785 -0.301865 -0.901647 -141.892 63.3765 -16.897 # jumping subtree containing T0136:V 308 (97) jump= -0.826907 -0.449125 0.214362 0.26184 -104.705 -75.9836 -66.2533 # jumping subtree containing T0136:I 247 (36) jump= 0.804246 0.360838 0.457836 0.11563 37.3778 -14.0626 -124.943 # jumping subtree containing T0136:V 211 (0) jump= 0.941291 0.00150043 -0.312976 0.12655 -65.9543 -2.80993 0.470394 # Removing break before 41 # jumping subtree containing T0136:P 283 (72) jump= 0.904212 0.0721188 0.420303 0.0233468 83.4493 -8.36455 -50.8846 # Removing break before 36 # generation 65: best score out of 40: T0136.try1-al10 62.7888 cost/residue, 162 clashes 0.0117679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 409 ## TwoFragment 7 ## CrossOver 232 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 406 ## OptSubtree 552 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= 0.609509 0.525289 -0.579396 0.129888 -112.208 -102.249 -89.3512 # jumping subtree containing T0136:I 247 (36) jump= 0.79821 0.538287 0.198532 -0.183554 -10.4468 -101.296 -99.2111 # jumping subtree containing T0136:V 308 (97) jump= -0.99371 0.100237 0.0481507 -0.0132451 -17.6466 33.2405 -9.51339 # jumping subtree containing T0136:V 308 (97) jump= -0.891122 0.0317833 0.185457 0.412913 -41.5068 -42.6778 22.0039 # jumping subtree containing T0136:N 275 (64) jump= 0.391433 0.115459 -0.796945 0.445341 -110.758 -91.6294 -110.474 # jumping subtree containing T0136:V 308 (97) jump= -0.0871252 0.557164 -0.214978 0.797347 20.2518 -3.46084 -34.1215 # Removing break before 41 # Removing break before 36 # jumping subtree containing T0136:I 247 (36) jump= -0.36177 0.00806504 0.906725 0.216583 -112.989 32.0878 -129.294 # jumping subtree containing T0136:V 308 (97) jump= 0.218468 -0.25445 -0.892012 -0.303054 -83.8925 109.684 -182.582 # jumping subtree containing T0136:N 315 (104) jump= 0.522207 -0.0538837 -0.784417 -0.330283 -170.095 75.558 -105.355 # generation 66: best score out of 40: T0136.try1-al10 62.7194 cost/residue, 175 clashes 0.011768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 411 ## TwoFragment 7 ## CrossOver 235 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 420 ## OptSubtree 567 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= 0.508856 0.524607 -0.412461 -0.543809 -115.738 -19.8135 -94.1987 # jumping subtree containing T0136:P 283 (72) jump= 0.89032 -0.432628 0.0799859 0.117324 0.136396 92.542 -53.8525 # Removing break before 36 # jumping subtree containing T0136:V 211 (0) jump= -0.918634 0.38461 -0.0552083 -0.0716892 9.10048 60.7085 4.84042 # jumping subtree containing T0136:N 270 (59) jump= 0.678224 -0.575265 0.145771 0.433397 -45.1959 122.027 -67.0819 # jumping subtree containing T0136:I 247 (36) jump= 0.94269 0.135461 0.12196 0.279485 57.1131 12.5712 -11.2294 # Removing break before 36 # generation 67: best score out of 40: T0136.try1-al10 62.6101 cost/residue, 165 clashes 0.011768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 414 ## TwoFragment 7 ## CrossOver 238 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 429 ## OptSubtree 584 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:I 247 (36) jump= 0.912885 0.376806 -0.129518 -0.0887831 -34.542 -85.0859 -54.2307 # jumping subtree containing T0136:I 247 (36) jump= -0.177172 -0.147528 0.846507 0.479866 -184.36 77.8694 -180.62 # jumping subtree containing T0136:L 252 (41) jump= 0.982114 0.119587 0.111026 0.0939366 51.3092 -1.45865 -23.1905 # generation 68: best score out of 40: T0136.try1-al10 62.5812 cost/residue, 191 clashes 0.0117678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 416 ## TwoFragment 7 ## CrossOver 240 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 439 ## OptSubtree 602 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.298792 -0.365427 -0.773677 0.422623 -175.982 13.7648 -121.026 # jumping subtree containing T0136:V 308 (97) jump= 0.876039 -0.247 0.407132 0.0760909 69.5603 50.2169 -71.6996 # Removing break before 36 # jumping subtree containing T0136:G 286 (75) jump= -0.878999 0.133608 0.188672 -0.417027 -5.11198 74.4151 22.0429 # jumping subtree containing T0136:N 315 (104) jump= -0.43815 0.65807 0.606753 0.0825822 -129.243 121.919 -103.208 # jumping subtree containing T0136:V 308 (97) jump= 0.609388 -0.715065 0.0722947 -0.334815 26.4776 74.4986 -52.2234 # jumping subtree containing T0136:I 247 (36) jump= -0.821144 0.262841 -0.171535 -0.476669 -3.6416 150.342 -32.5305 # generation 69: best score out of 40: T0136.try1-al10 62.5811 cost/residue, 191 clashes 0.0117679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 246 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 448 ## OptSubtree 620 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= 0.999875 -0.0106757 0.00954521 -0.00676218 -4.62794 19.5602 -18.0326 # jumping subtree containing T0136:H 227 (16) jump= 0.837907 -0.31361 0.442935 -0.0580424 56.4975 42.6478 -80.2642 # jumping subtree containing T0136:D 301 (90) jump= 0.968842 -0.238843 0.062503 0.0198005 3.75129 74.2823 -13.0219 # Removing break before 36 # jumping subtree containing T0136:L 252 (41) jump= 0.961576 0.121956 -0.0746614 -0.23436 -62.5257 -27.6921 2.77574 # jumping subtree containing T0136:N 315 (104) jump= 0.153758 -0.691452 -0.364598 0.604418 -163.128 52.7121 -132.486 # Removing break before 41 # generation 70: best score out of 40: T0136.try1-al10 62.5033 cost/residue, 180 clashes 0.011768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 248 ## CrossAndInsert 31 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 467 ## OptSubtree 634 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:E 277 (66) jump= -0.866665 -0.0566993 -0.0867003 -0.488017 6.7895 69.3559 -20.5483 # jumping subtree containing T0136:N 315 (104) jump= -0.665716 -0.133436 0.23772 -0.694626 -29.0487 38.3507 38.9853 # jumping subtree containing T0136:N 270 (59) jump= 0.456602 0.774211 0.434575 0.0570683 8.06893 7.61589 -173.467 # jumping subtree containing T0136:I 247 (36) jump= -0.284659 0.68388 -0.293816 -0.60411 -118.66 141.705 -181.976 # generation 71: best score out of 40: T0136.try1-al10 62.5032 cost/residue, 180 clashes 0.0117679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 250 ## CrossAndInsert 31 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 478 ## OptSubtree 650 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= -0.784771 0.384808 -0.387397 -0.293225 18.0776 82.8965 -76.8663 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:V 308 (97) jump= 0.977592 -0.0229864 -0.205854 0.0375382 -39.9423 5.25947 9.55114 # jumping subtree containing T0136:I 247 (36) jump= -0.98921 -0.127377 -0.0584937 0.0426348 -0.573547 -39.4247 -36.2186 # jumping subtree containing T0136:K 298 (87) jump= 0.95993 -0.276721 -0.00199314 -0.0442178 -6.60788 25.1562 -13.4371 # generation 72: best score out of 40: T0136.try1-al10 62.5032 cost/residue, 180 clashes 0.011768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 252 ## CrossAndInsert 31 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 498 ## OptSubtree 665 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= 0.3707 -0.3128 0.0318749 -0.873912 -64.5459 37.6822 5.18457 # jumping subtree containing T0136:V 308 (97) jump= 0.275001 -0.179903 -0.882614 -0.336157 -129.622 72.8828 -174.271 # jumping subtree containing T0136:P 283 (72) jump= 0.38988 -0.110543 -0.596437 0.692847 -123.876 22.9992 -30.6081 # jumping subtree containing T0136:K 298 (87) jump= -0.906135 -0.388874 0.0268326 -0.164244 17.2989 -57.2767 -41.0893 # Removing break before 41 # Removing break before 36 # generation 73: best score out of 40: T0136.try1-al10 62.5032 cost/residue, 180 clashes 0.0117678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 258 ## CrossAndInsert 31 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 508 ## OptSubtree 682 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= 0.763373 -0.0208499 0.4423 0.470317 56.4113 119.882 -94.7171 # generation 74: best score out of 40: T0136.try1-al10 62.5031 cost/residue, 180 clashes 0.0117679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 264 ## CrossAndInsert 31 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 514 ## OptSubtree 698 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:N 270 (59) jump= 0.906641 0.205878 -0.333837 -0.155466 -97.9287 -66.1001 -25.3983 # Removing break before 36 # jumping subtree containing T0136:I 247 (36) jump= -0.924645 -0.288199 -0.177874 0.174167 -6.61658 -65.9576 -63.454 # Removing break before 36 # jumping subtree containing T0136:N 270 (59) jump= -0.9998 0.0181756 -0.00391022 0.00737426 -5.61234 1.83646 -5.90587 # Removing break before 41 # generation 75: best score out of 40: T0136.try1-al10 62.4381 cost/residue, 175 clashes 0.0117677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 270 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 517 ## OptSubtree 714 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:V 211 (0) jump= -0.653848 -0.678309 0.294554 0.160053 -87.9698 -95.2899 -139.952 # jumping subtree containing T0136:N 270 (59) jump= 0.300593 0.704073 0.423037 -0.484732 -105.827 -48.4988 -229.925 # Removing break before 41 # jumping subtree containing T0136:P 283 (72) jump= -0.980287 0.140371 -0.0227189 0.137173 -4.17217 17.4025 7.01113 # jumping subtree containing T0136:V 211 (0) jump= 0.896548 -0.200682 -0.0305505 0.393694 -22.2851 97.4167 -23.9373 # jumping subtree containing T0136:A 297 (86) jump= -0.951316 -0.0251411 -0.00192425 -0.307184 -20.9009 32.1765 15.9549 # jumping subtree containing T0136:I 247 (36) jump= 0.449066 -0.287589 0.150929 0.832378 -53.6636 152.002 -51.6557 # generation 76: best score out of 40: T0136.try1-al10 62.4381 cost/residue, 175 clashes 0.0117677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 277 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 521 ## OptSubtree 732 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:V 308 (97) jump= 0.853001 -0.104472 0.320244 -0.398645 29.841 -21.8487 -39.375 # jumping subtree containing T0136:V 308 (97) jump= 0.887314 0.203144 0.339399 0.237097 62.0498 12.1579 -84.9658 # jumping subtree containing T0136:V 308 (97) jump= 0.996413 -0.0538207 0.00914222 -0.0646573 -25.9391 -4.47891 2.83497 # jumping subtree containing T0136:V 308 (97) jump= 0.292752 0.332792 0.549533 0.708209 22.1713 134.823 -120.417 # jumping subtree containing T0136:G 286 (75) jump= 0.857324 0.190577 -0.366843 -0.306761 -119.72 -44.85 -25.9131 # Removing break before 41 # Removing break before 41 # generation 77: best score out of 40: T0136.try1-al10 62.438 cost/residue, 175 clashes 0.0117679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 417 ## TwoFragment 7 ## CrossOver 280 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 535 ## OptSubtree 747 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= 0.865086 -0.0813701 -0.446919 -0.212764 -92.9995 30.8264 2.62932 # jumping subtree containing T0136:K 298 (87) jump= -0.878227 -0.342357 0.242593 0.229472 -80.8184 -76.0042 -69.3888 # Removing break before 36 # jumping subtree containing T0136:A 297 (86) jump= 0.286264 0.138792 -0.426141 0.846873 -89.8755 -68.1073 -10.9049 # Removing break before 41 # jumping subtree containing T0136:L 252 (41) jump= 0.368582 -0.250238 0.223397 0.866961 -80.1669 115.201 -35.7988 # generation 78: best score out of 40: T0136.try1-al10 62.2355 cost/residue, 173 clashes 0.0196095 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 418 ## TwoFragment 7 ## CrossOver 283 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 544 ## OptSubtree 764 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= 0.918394 -0.24312 -0.0113087 -0.311958 -11.3566 20.5776 25.9266 # jumping subtree containing T0136:V 308 (97) jump= 0.916123 -0.21693 -0.00720495 0.337057 -6.66701 83.2282 -15.9718 # jumping subtree containing T0136:A 297 (86) jump= 0.634159 0.628111 -0.401582 -0.205064 -119.685 -124.036 -150.4 # jumping subtree containing T0136:V 308 (97) jump= -0.447396 0.67288 -0.400936 -0.431647 -22.4499 120.482 -138.306 # jumping subtree containing T0136:I 247 (36) jump= -0.932769 -0.181391 0.114967 -0.289519 -19.3026 12.7681 -10.5727 # jumping subtree containing T0136:I 247 (36) jump= 0.832266 -0.505572 0.0199784 -0.226564 21.5971 84.0173 -53.4076 # jumping subtree containing T0136:D 280 (69) jump= -0.855172 -0.396497 -0.302645 -0.140987 48.4061 -46.601 -81.1702 # generation 79: best score out of 40: T0136.try1-al10 62.2116 cost/residue, 179 clashes 0.0225778 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 420 ## TwoFragment 7 ## CrossOver 289 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 552 ## OptSubtree 781 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 297 (86) jump= -0.267444 0.524861 -0.255232 -0.766715 -137.584 101.482 -126.461 # jumping subtree containing T0136:V 295 (84) jump= -0.911072 0.398617 0.0026806 0.105094 -5.53022 86.5813 -10.6813 # jumping subtree containing T0136:I 247 (36) jump= 0.966722 0.000872857 -0.190392 -0.170874 -18.7614 -5.8894 2.84153 # jumping subtree containing T0136:H 227 (16) jump= 0.935192 -0.173586 0.308005 0.0204363 41.1055 10.7539 -46.2452 # jumping subtree containing T0136:N 270 (59) jump= -0.471462 0.421742 -0.212098 0.744897 7.46946 -32.3099 12.1658 # generation 80: best score out of 40: T0136.try1-al10 62.058 cost/residue, 187 clashes 0.0315049 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 295 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 562 ## OptSubtree 796 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= 0.467805 -0.26997 -0.82276 -0.177035 -176.39 84.7541 -139.658 # jumping subtree containing T0136:L 252 (41) jump= -0.99869 -0.0460641 0.0096071 -0.0201145 12.3243 11.2885 12.736 # jumping subtree containing T0136:A 297 (86) jump= -0.731209 -0.460988 0.502715 0.0100826 -121.193 -98.5435 -57.4474 # jumping subtree containing T0136:L 252 (41) jump= -0.713033 -0.48536 -0.491368 -0.120692 64.2586 -36.8285 -100.859 # Removing break before 91 # generation 81: best score out of 40: T0136.try1-al10 62.058 cost/residue, 187 clashes 0.0315049 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 298 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 568 ## OptSubtree 820 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 297 (86) jump= 0.106734 -0.185058 0.0227205 0.97665 -127.151 47.4295 -25.4757 # jumping subtree containing T0136:W 302 (91) jump= 0.121593 -0.815776 0.179027 0.536352 -136.178 67.7598 -222.528 # Removing break before 100 # jumping subtree containing T0136:P 283 (72) jump= 0.439192 -0.818119 0.194404 -0.316225 66.2409 84.7648 -125.15 # jumping subtree containing T0136:G 311 (100) jump= 0.852205 0.446323 0.160395 -0.220943 -14.2075 -106.139 -128.536 # jumping subtree containing T0136:V 308 (97) jump= -0.927329 0.334064 -0.167832 -0.0171337 56.8856 65.7385 -47.9859 # generation 82: best score out of 40: T0136.try1-al10 62.058 cost/residue, 187 clashes 0.0315047 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 301 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 576 ## OptSubtree 843 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.0150169 -0.0573607 0.996795 0.0536946 -137.35 -1.73879 -269.255 # jumping subtree containing T0136:Y 312 (101) jump= -0.556377 0.807699 -0.172324 0.0914959 60.466 126.599 -144.207 # jumping subtree containing T0136:V 211 (0) jump= -0.854066 0.29171 0.421075 -0.0904073 -132.727 63.7463 7.8462 # jumping subtree containing T0136:A 297 (86) jump= -0.57096 0.194832 0.459252 0.652021 -118.889 106.939 -30.4807 # jumping subtree containing T0136:V 308 (97) jump= 0.0882426 0.825151 0.324968 0.45358 51.9656 113.07 -137.951 # jumping subtree containing T0136:A 297 (86) jump= -0.843075 -0.510388 0.15888 -0.0590395 -25.9175 -108.999 -40.5965 # jumping subtree containing T0136:G 311 (100) jump= 0.152462 0.537712 -0.073295 -0.825983 -227.513 5.34274 -125.966 # jumping subtree containing T0136:L 251 (40) jump= 0.925121 0.0348233 0.0233583 -0.37735 -23.5308 -68.0171 8.48258 # generation 83: best score out of 40: T0136.try1-al10 62.0525 cost/residue, 187 clashes 0.0315049 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 308 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 582 ## OptSubtree 861 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 233 (22) jump= 0.110818 -0.800747 -0.193442 -0.555972 39.311 86.1908 -105.317 # jumping subtree containing T0136:A 297 (86) jump= 0.179389 0.243896 -0.473157 -0.827319 -191.103 76.2082 -99.661 # jumping subtree containing T0136:V 211 (0) jump= 0.779351 0.0689801 0.329377 -0.52855 -38.2893 -68.1087 -66.3668 # jumping subtree containing T0136:V 211 (0) jump= 0.971448 0.0289652 0.233166 0.0329222 60.3183 15.2195 -50.1294 # jumping subtree containing T0136:V 211 (0) jump= 0.130639 0.432845 0.614134 -0.646853 -209.936 -52.3223 -188.143 # generation 84: best score out of 40: T0136.try1-al10 62.0525 cost/residue, 187 clashes 0.0315052 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 315 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 592 ## OptSubtree 873 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= 0.875495 -0.0455673 0.0295792 0.480164 11.9696 98.0274 1.67963 # jumping subtree containing T0136:H 227 (16) jump= -0.96869 0.138776 -0.170411 -0.115501 55.4104 65.2819 -28.5067 # jumping subtree containing T0136:H 227 (16) jump= 0.0152601 -0.224791 0.542007 -0.809608 -52.539 -81.7086 -36.7035 # generation 85: best score out of 40: T0136.try1-al10 62.0522 cost/residue, 187 clashes 0.0315046 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 320 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 602 ## OptSubtree 888 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= 0.707357 0.0115697 -0.00430508 -0.706749 -78.585 -38.9104 -1.92423 # jumping subtree containing T0136:G 311 (100) jump= 0.723555 -0.599123 -0.0117845 0.34261 -42.4129 167.801 -97.9523 # Removing break before 91 # jumping subtree containing T0136:A 297 (86) jump= 0.972213 -0.145514 0.0764443 -0.166682 -5.88201 15.1554 0.450829 # jumping subtree containing T0136:H 227 (16) jump= -0.919015 -0.0159422 0.373242 -0.125889 -76.4025 -1.63634 21.2727 # generation 86: best score out of 40: T0136.try1-al10 62.0201 cost/residue, 185 clashes 0.0315048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 327 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 612 ## OptSubtree 901 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 297 (86) jump= -0.25439 0.269962 -0.0382706 0.92787 -66.0344 5.54765 18.8505 # jumping subtree containing T0136:I 247 (36) jump= 0.74396 0.3904 0.241992 -0.485336 -47.6699 -149.07 -129.858 # Removing break before 41 # jumping subtree containing T0136:G 311 (100) jump= 0.536296 0.419332 -0.565011 -0.466165 -194.948 -30.2092 -127.437 # jumping subtree containing T0136:G 286 (75) jump= 0.841143 -0.246999 0.104006 0.469738 6.83661 142.234 -36.104 # jumping subtree containing T0136:G 286 (75) jump= 0.955877 -0.0871152 -0.246905 -0.133225 -72.4805 5.56186 18.5684 # Removing break before 91 # generation 87: best score out of 40: T0136.try1-al10 62.0201 cost/residue, 185 clashes 0.0315048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 332 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 621 ## OptSubtree 920 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.285479 0.224623 -0.136708 -0.921606 -201.278 -6.41236 -38.4391 # Removing break before 91 # jumping subtree containing T0136:P 283 (72) jump= 0.991716 -0.0843938 0.0746777 -0.0616514 -3.38815 3.28132 -27.3906 # Removing break before 36 # jumping subtree containing T0136:L 252 (41) jump= 0.979221 -0.188846 -0.0268174 -0.0688792 -14.7704 47.0084 -23.5516 # jumping subtree containing T0136:A 297 (86) jump= 0.869663 0.0260457 -0.473162 0.138293 -118.772 -7.19375 17.9362 # jumping subtree containing T0136:A 297 (86) jump= 0.906707 0.0633339 0.349325 -0.22769 55.9654 -66.6421 -61.5609 # jumping subtree containing T0136:N 270 (59) jump= 0.999835 0.00599066 0.00992319 0.0140025 9.32874 -15.0553 -6.46904 # jumping subtree containing T0136:G 286 (75) jump= -0.973255 0.0172055 0.131307 -0.187717 -69.3871 40.1315 18.9442 # jumping subtree containing T0136:H 227 (16) jump= 0.278727 0.909702 0.291169 -0.0998677 -7.93856 -25.0687 -280.097 # jumping subtree containing T0136:A 297 (86) jump= -0.201492 -0.396801 -0.58551 0.67759 -137.884 -109.554 -167.063 # generation 88: best score out of 40: T0136.try1-al10 62.0198 cost/residue, 185 clashes 0.0315048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 338 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 629 ## OptSubtree 940 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 100 # jumping subtree containing T0136:G 286 (75) jump= -0.938928 -0.231784 0.253725 -0.0177152 -53.8634 -69.1289 4.32535 # jumping subtree containing T0136:I 247 (36) jump= -0.612957 0.0647333 -0.742028 -0.263606 38.9503 75.6026 -245.069 # jumping subtree containing T0136:N 270 (59) jump= 0.999926 -0.0114999 -0.00325053 -0.00212704 13.6157 -16.4585 17.229 # Removing break before 91 # jumping subtree containing T0136:L 252 (41) jump= 0.129068 0.247541 0.0959923 -0.955432 -204.243 -16.3746 -34.5685 # jumping subtree containing T0136:I 247 (36) jump= -0.2613 -0.408676 -0.85404 0.187939 -80.6348 -40.8975 -307.056 # jumping subtree containing T0136:N 270 (59) jump= -0.724623 -0.354302 -0.208361 0.553152 -61.1003 -99.5491 -97.9767 # jumping subtree containing T0136:I 247 (36) jump= 0.999987 -0.00364284 0.00075058 -0.00335927 -8.40342 20.2476 14.0182 # generation 89: best score out of 40: T0136.try1-al10 62.0198 cost/residue, 185 clashes 0.0315048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 343 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 635 ## OptSubtree 959 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= 0.972958 0.0537586 0.215071 -0.0648646 50.5553 -17.9611 -41.3984 # jumping subtree containing T0136:A 248 (37) jump= -0.119706 0.899695 -0.410578 -0.0874341 -20.7612 60.4537 -270.667 # jumping subtree containing T0136:A 310 (99) jump= 0.89481 -0.328922 0.00608081 0.30181 -1.97265 123.717 -27.2602 # jumping subtree containing T0136:G 311 (100) jump= -0.112252 0.245843 0.387283 0.881461 -94.9142 137.351 -45.2732 # jumping subtree containing T0136:G 286 (75) jump= -0.0100248 0.277445 -0.578712 0.766822 -70.6748 -125.488 -49.7724 # jumping subtree containing T0136:L 252 (41) jump= 0.843535 -0.0539965 -0.374013 0.381639 -99.6166 52.27 21.8507 # generation 90: best score out of 40: T0136.try1-al10 62.0198 cost/residue, 185 clashes 0.0315048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 351 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 638 ## OptSubtree 975 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= 0.282051 -0.835973 -0.465357 -0.0709906 -64.9895 140.7 -162.333 # jumping subtree containing T0136:A 297 (86) jump= -0.912825 -0.14578 -0.356946 -0.134491 82.5953 7.31916 -76.3772 # jumping subtree containing T0136:I 247 (36) jump= -0.997601 0.0375762 -0.00837081 0.0575364 0.690889 -11.2366 -25.4011 # jumping subtree containing T0136:G 286 (75) jump= -0.519819 0.712282 -0.226043 0.413941 38.6633 48.8871 -72.6632 # jumping subtree containing T0136:L 252 (41) jump= -0.550783 0.267145 0.257417 -0.747669 -177.386 62.8566 -30.2485 # generation 91: best score out of 40: T0136.try1-al10 62.0198 cost/residue, 185 clashes 0.0315048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 360 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 639 ## OptSubtree 989 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= 0.99009 -0.038093 0.00700148 0.134988 -22.1611 15.9094 -10.1864 # jumping subtree containing T0136:H 227 (16) jump= 0.990707 -0.0097579 -0.0622119 0.12056 1.91025 -8.66047 8.59912 # jumping subtree containing T0136:V 211 (0) jump= 0.993145 0.0922799 0.0702159 0.0147654 5.74384 -41.5561 -16.916 # jumping subtree containing T0136:G 311 (100) jump= -0.0737982 0.821045 -0.0540114 -0.56349 -146.699 71.4959 -227.756 # Removing break before 41 # jumping subtree containing T0136:G 311 (100) jump= -0.895658 -0.170718 0.199993 0.358686 -94.2011 -46.2007 -22.1823 # generation 92: best score out of 40: T0136.try1-al10 62.0198 cost/residue, 185 clashes 0.0315048 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 368 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 639 ## OptSubtree 1005 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= -0.264199 -0.0549435 -0.861279 -0.430555 -72.9937 134.986 -219.588 # jumping subtree containing T0136:L 252 (41) jump= 0.816688 -0.394805 -0.0174708 -0.420529 -1.59157 20.6994 24.3341 # jumping subtree containing T0136:L 252 (41) jump= 0.774765 -0.0488701 0.628708 -0.0455784 80.333 6.05617 -166.473 # jumping subtree containing T0136:L 306 (95) jump= 0.733719 -0.0139134 0.226374 0.640482 -27.0263 123.093 -40.1035 # jumping subtree containing T0136:P 283 (72) jump= -0.409764 -0.166032 0.721387 0.533036 -228.093 13.511 -104.295 # jumping subtree containing T0136:G 311 (100) jump= -0.961034 0.143217 0.0708814 0.225562 -46.8465 17.4255 -0.103906 # jumping subtree containing T0136:A 297 (86) jump= 0.126268 -0.752645 -0.179741 0.620705 -143.655 67.2288 -194.463 # jumping subtree containing T0136:A 297 (86) jump= -0.620447 0.0940596 0.500169 -0.596682 -135.362 -0.813246 -28.1521 # generation 93: best score out of 40: T0136.try1-al10 62.0198 cost/residue, 185 clashes 0.0315045 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 378 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 639 ## OptSubtree 1019 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 306 (95) jump= 0.523869 0.822362 -0.220003 -0.0296721 -31.8023 -100.395 -176.327 # jumping subtree containing T0136:G 311 (100) jump= 0.496414 0.731534 -0.129782 0.448984 62.0234 -67.5744 -116.769 # jumping subtree containing T0136:L 306 (95) jump= -0.909914 0.372225 -0.129076 -0.129786 23.7771 117.848 -57.3093 # jumping subtree containing T0136:L 306 (95) jump= -0.62033 -0.211437 0.357535 -0.665323 -85.1195 9.49419 16.5848 # jumping subtree containing T0136:G 311 (100) jump= -0.88039 -0.382951 -0.0354461 0.277499 -35.2766 -81.9823 -57.9208 # jumping subtree containing T0136:G 311 (100) jump= 0.545243 -0.330307 0.440031 -0.63244 -17.4598 -82.4159 -54.1902 # jumping subtree containing T0136:V 308 (97) jump= 0.408506 -0.698369 -0.144311 0.569718 -133.477 118.617 -128.866 # jumping subtree containing T0136:G 311 (100) jump= 0.598049 -0.347972 0.690957 0.209362 30.4311 71.1703 -212.863 # jumping subtree containing T0136:L 252 (41) jump= -0.558048 0.337686 -0.601841 -0.460802 -16.5602 128.151 -212.311 # jumping subtree containing T0136:G 311 (100) jump= -0.140062 0.459757 -0.720324 0.50014 -45.6067 -79.5126 -99.9285 # jumping subtree containing T0136:G 311 (100) jump= -0.0818297 0.610129 0.718942 -0.322753 -173.125 22.2074 -223.756 # generation 94: best score out of 40: T0136.try1-al10 62.0198 cost/residue, 185 clashes 0.0315045 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 385 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 639 ## OptSubtree 1036 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # Removing break before 100 # jumping subtree containing T0136:V 216 (5) jump= 0.112307 -0.137528 -0.861149 -0.476336 -166.698 117.002 -177.471 # Removing break before 100 # jumping subtree containing T0136:I 247 (36) jump= -0.986415 0.050751 0.142381 0.064321 -20.2372 15.0483 15.7624 # Removing break before 91 # jumping subtree containing T0136:L 306 (95) jump= -0.089343 -0.359956 -0.886221 0.277601 -147.787 20.0085 -201.403 # Removing break before 36 # jumping subtree containing T0136:N 270 (59) jump= 0.78728 -0.285682 0.487161 -0.247488 30.8202 -21.9365 -128.714 # jumping subtree containing T0136:V 216 (5) jump= -0.461805 -0.626127 -0.40031 0.484204 -125.883 -105.965 -212.722 # jumping subtree containing T0136:L 306 (95) jump= 0.564968 0.245286 0.764672 0.189532 10.4736 35.6044 -193.212 # jumping subtree containing T0136:L 306 (95) jump= -0.581633 -0.721313 -0.348672 0.140849 -5.08367 -65.6223 -218.299 # jumping subtree containing T0136:I 247 (36) jump= -0.999974 0.00175518 0.00426495 0.00556718 2.57682 -4.38426 7.47729 # jumping subtree containing T0136:L 252 (41) jump= 0.913847 -0.223367 0.303976 0.150296 72.726 74.1666 -89.9564 # generation 95: best score out of 40: T0136.try1-al10 61.6365 cost/residue, 180 clashes 0.0489437 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 423 ## TwoFragment 7 ## CrossOver 396 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 639 ## OptSubtree 1048 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 216 (5) jump= 0.950146 -0.26808 -0.150682 -0.0514873 -25.2754 50.5967 -10.5514 # Removing break before 100 # Removing break before 91 # jumping subtree containing T0136:G 286 (75) jump= -0.828048 -0.0162034 0.392331 0.400187 -140.839 -12.3624 22.9205 # Removing break before 91 # generation 96: best score out of 40: T0136.try1-al10 61.6365 cost/residue, 180 clashes 0.0489437 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 423 ## TwoFragment 7 ## CrossOver 400 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 644 ## OptSubtree 1063 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 306 (95) jump= -0.266433 -0.0986974 -0.383499 0.87875 -137.346 -75.6498 -52.4437 # jumping subtree containing T0136:P 283 (72) jump= -0.985828 -0.0608811 0.101135 0.119198 -6.73365 -30.9402 14.2013 # jumping subtree containing T0136:V 216 (5) jump= -0.98398 0.118377 0.131954 -0.0189205 -34.227 45.3524 39.4044 # Removing break before 27 # jumping subtree containing T0136:L 306 (95) jump= -0.985871 0.153476 -0.0550417 -0.0383811 12.7366 29.6872 9.51294 # jumping subtree containing T0136:V 211 (0) jump= 0.981772 0.0940525 0.0396901 -0.160323 -21.8461 -45.8509 -19.8127 # jumping subtree containing T0136:L 306 (95) jump= 0.626113 0.693684 0.352081 0.0531352 10.6925 -7.36745 -170.372 # jumping subtree containing T0136:L 306 (95) jump= 0.325605 0.830087 0.116091 0.43756 54.0286 57.2877 -119.611 # jumping subtree containing T0136:L 221 (10) jump= 0.485175 -0.16775 0.524465 0.679265 -63.2886 179.929 -120.387 # jumping subtree containing T0136:L 306 (95) jump= 0.837381 -0.115398 0.333782 0.417211 38.1194 99.0682 -68.65 # jumping subtree containing T0136:G 311 (100) jump= 0.893419 0.39447 0.0990101 0.19077 49.926 -21.4294 -79.0787 # Removing break before 91 # generation 97: best score out of 40: T0136.try1-al10 61.6365 cost/residue, 180 clashes 0.0489437 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 423 ## TwoFragment 7 ## CrossOver 402 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 654 ## OptSubtree 1084 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 27 # jumping subtree containing T0136:L 306 (95) jump= 0.33193 0.620284 -0.710655 0.00623987 -75.8408 -75.7124 -201.855 # Removing break before 27 # jumping subtree containing T0136:L 252 (41) jump= -0.259865 0.545983 0.616842 -0.503864 -221.201 69.898 -155.314 # jumping subtree containing T0136:V 211 (0) jump= -0.5355 -0.0868388 0.516127 0.662806 -228.538 19.9087 -43.8396 # jumping subtree containing T0136:T 217 (6) jump= 0.577139 0.282697 -0.394737 -0.656639 -203.103 -12.9352 -60.8601 # jumping subtree containing T0136:G 289 (78) jump= -0.993464 -0.10184 0.0300709 -0.0418649 7.33441 -18.7 -18.4356 # jumping subtree containing T0136:V 216 (5) jump= -0.607181 0.69004 0.303859 -0.250692 -95.4833 147.341 -129.52 # jumping subtree containing T0136:N 270 (59) jump= 0.635043 0.237207 0.327556 -0.658149 -104.702 -133.331 -94.3186 # jumping subtree containing T0136:L 306 (95) jump= -0.15906 0.675071 -0.678993 -0.240724 -45.8731 18.8855 -215.534 # jumping subtree containing T0136:L 252 (41) jump= -0.928701 0.115332 -0.102347 0.337249 7.27266 -22.2348 -7.08139 # Removing break before 27 # Removing break before 27 # generation 98: best score out of 40: T0136.try1-al10 61.6365 cost/residue, 180 clashes 0.0489437 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 423 ## TwoFragment 7 ## CrossOver 404 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 655 ## OptSubtree 1107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 306 (95) jump= 0.796935 0.426777 0.362242 0.227017 70.0443 -21.3623 -121.439 # jumping subtree containing T0136:D 215 (4) jump= -0.929718 -0.324276 0.174402 0.00737406 -34.6631 -88.5923 0.996474 # jumping subtree containing T0136:G 286 (75) jump= 0.458946 -0.0236542 0.72448 0.513748 -62.6497 132.621 -163.17 # jumping subtree containing T0136:L 306 (95) jump= 0.890558 -0.215564 0.39144 0.0849348 40.4179 50.6719 -99.7799 # Removing break before 27 # Removing break before 100 # jumping subtree containing T0136:L 252 (41) jump= -0.650956 0.305858 -0.567315 -0.401074 16.7365 120.713 -175.778 # generation 99: best score out of 40: T0136.try1-al10 61.6365 cost/residue, 180 clashes 0.0489437 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 423 ## TwoFragment 7 ## CrossOver 413 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 655 ## OptSubtree 1122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:L 252 (41) jump= -0.909756 -0.21351 -0.355699 -0.0153414 42.8433 -5.5496 -103.79 # Removing break before 27 # jumping subtree containing T0136:G 311 (100) jump= -0.838125 -0.316501 0.294818 0.33235 -108.183 -71.6544 -24.2937 # jumping subtree containing T0136:G 311 (100) jump= -0.251696 -0.148053 0.631367 0.718404 -187.124 80.6488 -93.8715 # Removing break before 27 # Removing break before 91 # jumping subtree containing T0136:L 306 (95) jump= -0.835056 0.173019 -0.516552 -0.0769355 41.9055 34.7996 -111.63 # jumping subtree containing T0136:G 311 (100) jump= 0.668537 0.506331 -0.19656 0.507988 9.50593 -53.291 -23.045 # jumping subtree containing T0136:L 306 (95) jump= -0.997174 -0.0537635 0.0289447 0.0437599 -6.40846 0.485601 19.021 # jumping subtree containing T0136:L 306 (95) jump= -0.518611 0.294581 0.694557 -0.402312 -181.383 54.0581 -46.879 # generation 100: best score out of 40: T0136.try1-al10 61.5514 cost/residue, 179 clashes 0.0470313 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 424 ## TwoFragment 7 ## CrossOver 422 ## CrossAndInsert 31 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 655 ## OptSubtree 1136 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1997739041.pdb -s /projects/compbio/tmp/to_scwrl_1997739041.seq -o /projects/compbio/tmp/from_scwrl_1997739041.pdb -a /projects/compbio/tmp/from_scwrl_1997739041_a.pdb -b /projects/compbio/tmp/from_scwrl_1997739041_b.pdb > /projects/compbio/tmp/scwrl_1997739041.log # T0136.try1-al10-scwrl 61.6951 cost/residue 179 clashes 0.0470313 breaks # iteration 7 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 73.2052 cost/residue, 175 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 11 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.8143 cost/residue, 145 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 31 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 4 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.8151 cost/residue, 141 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 50 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.3637 cost/residue, 168 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 72 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.2921 cost/residue, 285 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 87 ## TwoFragment 3 ## CrossOver 2 ## CrossAndInsert 11 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.2885 cost/residue, 154 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 99 ## TwoFragment 3 ## CrossOver 3 ## CrossAndInsert 13 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 75 # generation 7: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.3575 cost/residue, 185 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 33 ## InsertFragment 113 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 13 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.8586 cost/residue, 172 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 129 ## TwoFragment 4 ## CrossOver 6 ## CrossAndInsert 15 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.8586 cost/residue, 172 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 142 ## TwoFragment 5 ## CrossOver 6 ## CrossAndInsert 16 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 11 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.8674 cost/residue, 273 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 38 ## InsertFragment 159 ## TwoFragment 5 ## CrossOver 6 ## CrossAndInsert 18 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 13 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.8674 cost/residue, 273 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 171 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 20 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 17 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= -0.999232 -0.0288989 -0.0246604 -0.00961585 12.5322 25.2712 -2.50922 # Removing break before 44 # generation 12: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.0664 cost/residue, 274 clashes 0.0150543 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 185 ## TwoFragment 6 ## CrossOver 8 ## CrossAndInsert 20 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 19 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 13: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.0631 cost/residue, 274 clashes 0.0152121 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 196 ## TwoFragment 6 ## CrossOver 9 ## CrossAndInsert 21 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 24 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 14: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.7857 cost/residue, 291 clashes 0.0152121 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 211 ## TwoFragment 6 ## CrossOver 11 ## CrossAndInsert 21 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 27 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # generation 15: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.2794 cost/residue, 290 clashes 0.0152121 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 223 ## TwoFragment 6 ## CrossOver 13 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 32 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # generation 16: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.1604 cost/residue, 283 clashes 0.0152121 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 229 ## TwoFragment 6 ## CrossOver 14 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 43 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.1604 cost/residue, 283 clashes 0.0152121 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 245 ## TwoFragment 6 ## CrossOver 14 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 48 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # generation 18: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.1178 cost/residue, 285 clashes 0.0218876 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 253 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 23 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 57 ## OptSubtree 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 19: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.9914 cost/residue, 163 clashes 0.0152121 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 263 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 23 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 66 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # generation 20: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.384 cost/residue, 213 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 269 ## TwoFragment 6 ## CrossOver 17 ## CrossAndInsert 25 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 76 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 21: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.384 cost/residue, 213 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 276 ## TwoFragment 6 ## CrossOver 19 ## CrossAndInsert 25 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 87 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # generation 22: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.384 cost/residue, 213 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 280 ## TwoFragment 6 ## CrossOver 20 ## CrossAndInsert 25 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 98 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 226 (15) jump= -0.992145 0.0566786 -0.0958527 -0.0569976 12.7413 -18.1002 -0.212208 # Removing break moved up 3 to before 36 # Removing break before 44 # Removing break before 44 # generation 23: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2463 cost/residue, 221 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 285 ## TwoFragment 6 ## CrossOver 20 ## CrossAndInsert 25 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 113 ## OptSubtree 44 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8664 cost/residue, 244 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 290 ## TwoFragment 6 ## CrossOver 20 ## CrossAndInsert 25 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 128 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # generation 25: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8664 cost/residue, 244 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 292 ## TwoFragment 7 ## CrossOver 20 ## CrossAndInsert 25 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 144 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing T0136:G 303 (92) jump= 0.192134 -0.0592074 0.531678 -0.822738 9.05907 -34.8693 -0.903678 # Removing break before 44 # Removing break before 44 # Removing break moved up 3 to before 36 # generation 26: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8664 cost/residue, 244 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 294 ## TwoFragment 7 ## CrossOver 21 ## CrossAndInsert 25 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 160 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= -0.556417 0.796093 -0.194259 -0.137478 -3.54649 2.7977 -14.3264 # Removing break before 44 # jumping subtree containing T0136:A 244 (33) jump= 0.366684 -0.580412 0.717219 -0.119423 -1.25533 18.0225 -30.7328 # generation 27: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.5111 cost/residue, 180 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 295 ## TwoFragment 7 ## CrossOver 22 ## CrossAndInsert 25 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 175 ## OptSubtree 65 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.5072 cost/residue, 180 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 297 ## TwoFragment 7 ## CrossOver 23 ## CrossAndInsert 26 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 189 ## OptSubtree 70 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing T0136:G 289 (78) jump= -0.495426 0.650801 -0.174055 0.548375 -0.013418 21.1756 28.6241 # generation 29: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3456 cost/residue, 182 clashes 0.0281859 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 301 ## TwoFragment 7 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 209 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= -0.466665 -0.63514 0.0339936 0.614545 18.6491 -34.4184 10.0967 # jumping subtree containing T0136:I 281 (70) jump= -0.886206 -0.334206 0.298002 -0.118911 -14.9349 -17.8662 13.3766 # jumping subtree containing T0136:L 255 (44) jump= 0.924288 -0.00277953 -0.0983968 0.368785 -19.6291 0.750986 5.17737 # Removing break before 44 # generation 30: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3039 cost/residue, 181 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 305 ## TwoFragment 7 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 224 ## OptSubtree 83 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # generation 31: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3039 cost/residue, 181 clashes 0.0282335 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 306 ## TwoFragment 7 ## CrossOver 25 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 244 ## OptSubtree 88 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # jumping subtree containing T0136:V 272 (61) jump= -0.324983 0.0158217 -0.900763 0.287684 -0.217277 13.6576 10.9208 # Removing break before 44 # jumping subtree containing T0136:I 247 (36) jump= -0.479209 0.67351 0.146076 0.543512 10.5571 31.9469 -15.8661 # Removing break before 44 # generation 32: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1334 cost/residue, 183 clashes 0.0281859 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 307 ## TwoFragment 7 ## CrossOver 26 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 262 ## OptSubtree 96 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= 0.719814 -0.621206 -0.309547 -0.012329 -25.959 14.0655 33.8137 # jumping subtree containing T0136:A 244 (33) jump= -0.652757 -0.209322 0.178782 -0.705783 41.3341 47.7454 -5.47221 # generation 33: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.1334 cost/residue, 183 clashes 0.0281859 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 307 ## TwoFragment 7 ## CrossOver 28 ## CrossAndInsert 28 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 277 ## OptSubtree 103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.996482 -0.0505413 -0.0408624 -0.0529114 15.1975 -7.37996 -26.6258 # jumping subtree containing T0136:I 247 (36) jump= -0.625304 -0.433761 0.317571 0.565681 42.1999 -18.6539 39.257 # jumping subtree containing T0136:K 287 (76) jump= 0.333683 0.765759 0.313962 -0.451327 -4.10405 -4.57309 -31.1535 # jumping subtree containing T0136:A 244 (33) jump= -0.991856 -0.0689012 -0.0957453 0.0480335 -10.6687 -1.74158 -16.0395 # Removing break before 44 # Removing break before 44 # Removing break before 44 # generation 34: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0789 cost/residue, 189 clashes 0.0130215 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 307 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 298 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # generation 35: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.046 cost/residue, 178 clashes 0.0281859 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 309 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 312 ## OptSubtree 119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.893174 0.401152 0.147481 0.139882 -4.25637 7.52324 -14.701 # Removing break before 44 # jumping subtree containing T0136:L 255 (44) jump= -0.0980057 0.955642 0.273936 0.0458603 0.861819 -19.7317 -75.2246 # generation 36: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.046 cost/residue, 178 clashes 0.0281859 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 309 ## TwoFragment 7 ## CrossOver 30 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 330 ## OptSubtree 127 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:V 272 (61) jump= -0.350729 -0.32041 -0.873213 -0.108748 21.8279 -7.55227 12.1502 # generation 37: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9426 cost/residue, 189 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 310 ## TwoFragment 7 ## CrossOver 31 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 345 ## OptSubtree 134 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break moved up 3 to before 36 # generation 38: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9426 cost/residue, 189 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 311 ## TwoFragment 7 ## CrossOver 32 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 361 ## OptSubtree 140 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:V 272 (61) jump= -0.898286 0.388649 0.00341004 -0.204997 -7.00273 6.97923 15.9524 # generation 39: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.8483 cost/residue, 175 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 311 ## TwoFragment 7 ## CrossOver 34 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 381 ## OptSubtree 147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= -0.0640135 0.724511 0.0450201 0.684806 -9.60442 -4.3169 11.8212 # generation 40: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.8483 cost/residue, 175 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 311 ## TwoFragment 7 ## CrossOver 36 ## CrossAndInsert 29 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 398 ## OptSubtree 152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 36 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:N 275 (64) jump= -0.123906 0.594423 0.307638 -0.732576 -10.3514 29.8691 4.73983 # generation 41: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7092 cost/residue, 178 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 311 ## TwoFragment 7 ## CrossOver 36 ## CrossAndInsert 29 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 418 ## OptSubtree 161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # jumping subtree containing T0136:N 275 (64) jump= -0.949472 0.300426 0.00648498 -0.0905839 14.3434 -14.3697 -9.02383 # jumping subtree containing T0136:L 306 (95) jump= 0.983114 0.141332 -0.023711 -0.113802 1.87625 10.6096 -26.3227 # generation 42: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4213 cost/residue, 174 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 311 ## TwoFragment 7 ## CrossOver 36 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 432 ## OptSubtree 170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= 0.0817539 -0.648099 -0.00193847 0.757153 44.4492 -14.7589 44.7186 # jumping subtree containing T0136:N 275 (64) jump= -0.722618 0.29819 0.269024 -0.562612 60.7367 5.56806 37.656 # jumping subtree containing T0136:L 251 (40) jump= -0.904297 0.277356 -0.0155412 -0.324159 21.8462 -19.2095 12.5836 # generation 43: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4213 cost/residue, 174 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 313 ## TwoFragment 7 ## CrossOver 37 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 448 ## OptSubtree 180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= 0.893136 -0.249287 -0.221932 -0.301514 9.35816 -14.0221 10.4457 # Removing break before 16 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:K 309 (98) jump= 0.106777 0.304416 -0.687146 0.650969 -13.3371 -41.5355 -10.4632 # Removing break moved up 3 to before 36 # generation 44: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4164 cost/residue, 174 clashes 0.0204183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 313 ## TwoFragment 7 ## CrossOver 40 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 472 ## OptSubtree 185 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= 0.187514 0.492868 0.705537 -0.473431 32.0944 -36.3997 7.12725 # jumping subtree containing T0136:I 230 (19) jump= -0.997417 -0.00745686 0.0655846 0.0283302 20.64 5.11521 -9.62339 # jumping subtree containing T0136:N 275 (64) jump= -0.0510221 0.116886 0.234182 0.963791 35.4851 -52.448 8.14301 # jumping subtree containing T0136:N 270 (59) jump= -0.0879908 0.140651 -0.98609 -0.0100742 47.9753 27.5383 -35.1077 # Removing break before 16 # generation 45: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3681 cost/residue, 175 clashes 0.0447898 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 315 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 483 ## OptSubtree 194 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= 0.781095 0.0534324 0.487133 -0.386959 -12.2632 14.1951 29.819 # Removing break moved up 3 to before 36 # generation 46: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.1508 cost/residue, 147 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 315 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 505 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= -0.996407 -0.00877677 -0.0118998 -0.0833888 5.18545 12.5638 -21.1052 # Removing break moved up 3 to before 36 # Removing break before 20 # jumping subtree containing T0136:A 244 (33) jump= 0.227262 0.0914014 0.767049 -0.592987 75.454 -26.9369 -13.5738 # generation 47: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.1499 cost/residue, 147 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 315 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 529 ## OptSubtree 209 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 49 # jumping subtree containing T0136:N 270 (59) jump= -0.968102 0.0237233 -0.115412 -0.221126 -0.611081 -30.2764 10.7306 # generation 48: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6043 cost/residue, 141 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 317 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 547 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 304 (93) jump= -0.743442 0.33492 0.430956 0.386522 17.9543 10.5619 -73.5012 # Removing break before 20 # jumping subtree containing T0136:V 211 (0) jump= 0.824327 0.557402 0.00530294 0.0987908 -11.4112 23.7595 -39.9575 # Removing break before 20 # generation 49: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6042 cost/residue, 141 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 564 ## OptSubtree 226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.162797 -0.472486 0.778231 0.380277 77.34 46.3976 -21.6258 # jumping subtree containing T0136:A 244 (33) jump= 0.926038 -0.220911 -0.208008 -0.224467 -15.839 17.3586 -4.71789 # jumping subtree containing T0136:P 256 (45) jump= -0.990915 -0.0273338 -0.129324 0.0248044 -21.599 15.6519 9.36147 # Removing break before 20 # jumping subtree containing T0136:A 244 (33) jump= 0.932466 0.0200974 0.347045 -0.0983044 18.9258 -12.3331 11.5086 # jumping subtree containing T0136:S 231 (20) jump= -0.187775 0.653455 0.464905 -0.567098 18.2383 -6.22128 14.707 # jumping subtree containing T0136:P 256 (45) jump= 0.95475 -0.148564 -0.0961459 -0.239033 1.60119 33.1967 -0.279192 # jumping subtree containing T0136:V 211 (0) jump= 0.996242 -0.0308674 -0.0675673 -0.0445416 11.9752 6.2285 17.6901 # generation 50: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5507 cost/residue, 142 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 44 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 582 ## OptSubtree 238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.254842 0.209399 -0.679776 0.655067 9.54516 20.5323 32.6516 # jumping subtree containing T0136:V 300 (89) jump= 0.997483 -0.0536765 -0.0449777 0.0111368 -11.825 28.9518 8.51681 # jumping subtree containing T0136:N 275 (64) jump= 0.520979 0.267819 0.578687 0.567428 48.3718 0.27416 -15.0697 # Removing break moved up 3 to before 36 # generation 51: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.3465 cost/residue, 163 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 320 ## TwoFragment 7 ## CrossOver 44 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 595 ## OptSubtree 249 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= -0.998576 0.0323551 0.0307549 0.0292133 -4.42445 -8.8824 -9.47741 # jumping subtree containing T0136:N 275 (64) jump= -0.0508771 0.10232 -0.712 0.692819 105.85 -0.371189 -6.26808 # jumping subtree containing T0136:A 244 (33) jump= 0.811229 -0.265043 0.417717 -0.311724 -8.8643 51.7641 100.82 # Removing break moved up 3 to before 36 # generation 52: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0935 cost/residue, 138 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 322 ## TwoFragment 7 ## CrossOver 45 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 613 ## OptSubtree 260 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= 0.91704 -0.279227 -0.26355 -0.107756 5.53704 13.4788 12.1841 # generation 53: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0935 cost/residue, 138 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 45 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 634 ## OptSubtree 269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 288 (77) jump= -0.941865 0.254367 0.19114 0.107946 -5.3371 59.4087 -10.7117 # generation 54: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0935 cost/residue, 138 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 46 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 654 ## OptSubtree 280 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.582109 0.664975 0.408292 -0.228595 -17.3383 -28.0288 -12.8879 # jumping subtree containing T0136:V 211 (0) jump= 0.402993 -0.224938 -0.447457 -0.766017 51.58 40.889 -57.655 # Removing break before 20 # Removing break moved up 3 to before 36 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:V 211 (0) jump= -0.583527 -0.409335 0.636088 0.295523 16.194 50.6382 -66.6554 # generation 55: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0935 cost/residue, 138 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 47 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 669 ## OptSubtree 288 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.163897 -0.096572 0.917665 0.348859 68.3458 85.901 -127.473 # jumping subtree containing T0136:A 244 (33) jump= 0.773925 0.268655 0.204242 0.535864 90.4504 -23.8424 -35.7434 # jumping subtree containing T0136:A 244 (33) jump= -0.525014 -0.107299 -0.521366 -0.664097 48.1536 2.21535 9.35629 # generation 56: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0935 cost/residue, 138 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 48 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 676 ## OptSubtree 304 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 290 (79) jump= 0.9969 -0.0276291 0.0666943 -0.0312937 12.7888 32.7737 15.7924 # generation 57: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0935 cost/residue, 138 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 49 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 685 ## OptSubtree 318 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:D 291 (80) jump= -0.320015 -0.884106 -0.197387 0.277463 11.7961 -16.3425 32.7428 # Removing break moved up 3 to before 36 # generation 58: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0935 cost/residue, 138 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 50 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 697 ## OptSubtree 329 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.930822 0.0923679 -0.0889608 -0.342233 -13.0935 22.7002 -19.5457 # Removing break before 20 # generation 59: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0911 cost/residue, 148 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 53 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 699 ## OptSubtree 347 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.708804 0.469751 -0.497899 0.170376 44.2959 -27.1445 -111.641 # jumping subtree containing T0136:V 211 (0) jump= 0.156273 0.263318 0.431903 -0.848352 47.4045 5.27186 9.84949 # jumping subtree containing T0136:N 275 (64) jump= -0.991121 -0.0830847 -0.0404405 -0.0956066 18.5408 -7.34566 -27.2611 # jumping subtree containing T0136:S 231 (20) jump= -0.998155 0.0554508 -0.00703815 0.0237111 -5.88902 -17.012 -8.06503 # generation 60: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0911 cost/residue, 148 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 324 ## TwoFragment 7 ## CrossOver 55 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 711 ## OptSubtree 357 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= 0.397911 -0.163385 -0.173679 -0.885894 54.7878 120.974 -59.2474 # jumping subtree containing T0136:A 244 (33) jump= -0.490422 0.505935 -0.701334 0.107919 89.4817 81.0513 12.3492 # generation 61: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6824 cost/residue, 159 clashes 0.0315888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 325 ## TwoFragment 7 ## CrossOver 55 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 737 ## OptSubtree 363 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= 0.82325 -0.108271 -0.342496 -0.439584 -63.8332 63.414 -42.8144 # jumping subtree containing T0136:E 277 (66) jump= 0.628081 0.227665 0.328273 -0.667773 57.0035 76.2365 40.5997 # jumping subtree containing T0136:S 231 (20) jump= 0.566332 0.712821 0.23026 -0.343706 -63.2428 32.4247 -65.904 # jumping subtree containing T0136:E 277 (66) jump= -0.19094 0.550426 0.714172 0.387984 50.1403 68.1579 -195.036 # generation 62: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6824 cost/residue, 159 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 326 ## TwoFragment 7 ## CrossOver 56 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 746 ## OptSubtree 381 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # jumping subtree containing T0136:E 307 (96) jump= -0.431712 0.53208 0.418021 0.596468 -3.18195 125.643 -98.8317 # jumping subtree containing T0136:E 307 (96) jump= 0.990161 -0.117185 0.0297536 -0.0704486 -1.41813 41.8701 11.8752 # jumping subtree containing T0136:A 244 (33) jump= 0.431702 -0.545952 0.690198 0.197981 92.8635 106.063 -39.2894 # jumping subtree containing T0136:V 211 (0) jump= 0.293051 0.207772 0.907878 -0.216124 63.3721 -29.8103 -36.4891 # jumping subtree containing T0136:V 211 (0) jump= 0.93824 0.103483 -0.232398 -0.234494 -40.5153 23.0336 -55.9449 # generation 63: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6824 cost/residue, 159 clashes 0.0315889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 326 ## TwoFragment 7 ## CrossOver 58 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 766 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.141476 -0.577951 0.340283 -0.728124 95.7001 63.2216 -52.6536 # jumping subtree containing T0136:A 244 (33) jump= 0.670705 -0.439908 -0.0933791 -0.589844 44.7254 100.683 -40.108 # jumping subtree containing T0136:A 313 (102) jump= -0.91118 0.108032 0.386642 -0.0926751 -55.7875 -11.2315 -39.2353 # jumping subtree containing T0136:E 307 (96) jump= -0.110186 0.083853 0.840081 -0.524491 91.4963 -40.0948 -103.907 # generation 64: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6824 cost/residue, 159 clashes 0.031589 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 326 ## TwoFragment 7 ## CrossOver 61 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 778 ## OptSubtree 404 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # generation 65: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6824 cost/residue, 159 clashes 0.031589 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 326 ## TwoFragment 7 ## CrossOver 62 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 787 ## OptSubtree 418 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.831516 -0.4654 0.0144841 -0.302943 66.9584 -31.4401 -95.556 # jumping subtree containing T0136:A 244 (33) jump= 0.405578 -0.55906 0.653311 -0.310071 167.204 61.0673 -92.3134 # jumping subtree containing T0136:I 299 (88) jump= -0.630111 -0.238745 -0.703962 -0.224496 125.406 -23.8527 -87.2507 # jumping subtree containing T0136:E 307 (96) jump= -0.358832 -0.804019 -0.432025 0.195312 -59.8733 65.9971 -50.4293 # jumping subtree containing T0136:E 307 (96) jump= -0.166743 -0.178 0.438662 -0.864921 91.3301 14.1377 -42.9626 # jumping subtree containing T0136:V 211 (0) jump= 0.541584 0.358069 0.327721 -0.686347 6.51716 -3.13761 -13.2103 # generation 66: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6469 cost/residue, 166 clashes 0.0294556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 327 ## TwoFragment 7 ## CrossOver 64 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 799 ## OptSubtree 427 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= -0.399289 -0.619239 0.220689 0.639068 -37.2374 144.719 -63.5973 # jumping subtree containing T0136:V 211 (0) jump= 0.835588 -0.256247 0.26301 -0.408602 79.8099 52.5838 21.3147 # jumping subtree containing T0136:N 275 (64) jump= -0.429751 0.392067 0.757119 0.297267 27.5436 44.4273 -164.384 # jumping subtree containing T0136:L 255 (44) jump= -0.793605 0.35171 -0.280888 0.409382 90.927 91.4809 19.7283 # jumping subtree containing T0136:N 275 (64) jump= 0.125296 0.285792 -0.557151 -0.769549 45.7064 109.561 -96.8893 # Removing break before 20 # jumping subtree containing T0136:V 211 (0) jump= -0.987454 -0.153575 -0.0337722 0.0144522 4.22813 -59.5542 -20.2963 # generation 67: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6469 cost/residue, 166 clashes 0.0294556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 327 ## TwoFragment 7 ## CrossOver 67 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 812 ## OptSubtree 435 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= 0.32832 -0.0276134 0.914102 0.236351 142.164 42.136 -86.7728 # generation 68: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6469 cost/residue, 166 clashes 0.0294555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 327 ## TwoFragment 7 ## CrossOver 67 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 835 ## OptSubtree 447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # Removing break before 20 # generation 69: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6469 cost/residue, 166 clashes 0.0294554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 327 ## TwoFragment 7 ## CrossOver 69 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 842 ## OptSubtree 463 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= 0.966295 0.132518 0.212636 0.0591446 39.2036 -15.8522 -51.9528 # jumping subtree containing T0136:N 275 (64) jump= -0.475963 -0.180108 -0.286048 -0.811909 152.946 188.905 -105.125 # generation 70: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4014 cost/residue, 189 clashes 0.0294555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 328 ## TwoFragment 7 ## CrossOver 71 ## CrossAndInsert 30 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 849 ## OptSubtree 477 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.983594 0.0592635 -0.15195 0.0770804 10.7599 24.1387 -3.33489 # jumping subtree containing T0136:L 251 (40) jump= -0.854342 0.191856 -0.217671 -0.431173 102.302 96.7355 20.7276 # jumping subtree containing T0136:N 275 (64) jump= -0.91489 0.0229402 0.370914 -0.157711 -44.5139 -1.76303 -39.9802 # jumping subtree containing T0136:E 307 (96) jump= 0.662708 0.129127 0.736359 -0.0438183 84.4569 -14.2091 -113.049 # jumping subtree containing T0136:E 307 (96) jump= 0.585251 -0.315108 0.700443 -0.259938 155.218 77.0548 -15.7215 # generation 71: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4014 cost/residue, 189 clashes 0.0294556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 328 ## TwoFragment 7 ## CrossOver 73 ## CrossAndInsert 30 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 854 ## OptSubtree 493 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.776025 0.571953 -0.240123 0.114 72.9263 183.193 70.6371 # jumping subtree containing T0136:L 221 (10) jump= 0.962908 0.130465 -0.151398 -0.181288 -52.1258 8.14199 -72.7012 # jumping subtree containing T0136:A 244 (33) jump= 0.398956 -0.165253 0.0249332 -0.901612 7.61864 185.112 27.9361 # generation 72: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.3313 cost/residue, 182 clashes 0.0294556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 329 ## TwoFragment 7 ## CrossOver 75 ## CrossAndInsert 30 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 866 ## OptSubtree 511 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= 0.314635 0.0983887 0.160646 0.930332 137.812 138.396 -36.4514 # jumping subtree containing T0136:S 231 (20) jump= -0.549298 -0.142507 -0.683471 -0.459163 128.142 78.0547 -128.278 # jumping subtree containing T0136:E 307 (96) jump= 0.94055 0.316415 0.0329825 -0.118991 -30.7596 -14.5551 -58.2686 # jumping subtree containing T0136:L 221 (10) jump= 0.97111 -0.197377 -0.133925 0.00718087 -19.9857 59.853 40.6519 # jumping subtree containing T0136:N 275 (64) jump= -0.848401 0.33942 0.328797 -0.238541 -44.6931 64.1166 16.3033 # jumping subtree containing T0136:S 231 (20) jump= -0.713403 0.565045 -0.403057 -0.0965689 103.72 158.027 29.9085 # generation 73: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.3313 cost/residue, 182 clashes 0.0294556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 329 ## TwoFragment 7 ## CrossOver 77 ## CrossAndInsert 30 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 877 ## OptSubtree 528 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # jumping subtree containing T0136:N 275 (64) jump= 0.974543 -0.113939 0.1246 -0.147506 0.390489 52.4173 43.8449 # jumping subtree containing T0136:E 307 (96) jump= 0.898407 -0.375911 0.214737 0.0737863 34.8174 67.74 62.113 # Removing break before 20 # jumping subtree containing T0136:E 307 (96) jump= -0.213112 0.142436 0.956471 0.139494 -23.4659 35.117 -210.222 # generation 74: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2688 cost/residue, 183 clashes 0.0294556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 329 ## TwoFragment 7 ## CrossOver 79 ## CrossAndInsert 30 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 894 ## OptSubtree 543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.517504 0.346167 -0.435887 -0.649892 139.062 221.435 -84.9223 # jumping subtree containing T0136:L 251 (40) jump= 0.942125 -0.332186 -0.0124923 0.0435492 -2.27014 71.2849 30.3304 # jumping subtree containing T0136:N 275 (64) jump= -0.797537 0.13744 -0.273423 0.519889 -17.0508 94.9147 48.9422 # jumping subtree containing T0136:E 307 (96) jump= -0.956459 0.246886 -0.0946091 0.123623 18.6623 68.1726 57.9967 # jumping subtree containing T0136:A 244 (33) jump= 0.572703 -0.644289 -0.334648 -0.380675 -58.4674 227.729 -68.8024 # generation 75: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2688 cost/residue, 183 clashes 0.029456 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 329 ## TwoFragment 7 ## CrossOver 82 ## CrossAndInsert 30 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 907 ## OptSubtree 556 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= 0.763286 0.0925441 -0.625552 -0.132346 -97.539 27.9108 -136.146 # Removing break before 20 # generation 76: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1937 cost/residue, 174 clashes 0.0294554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 330 ## TwoFragment 7 ## CrossOver 83 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 919 ## OptSubtree 576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= -0.196665 0.321842 -0.828289 0.41434 179.347 59.1358 -31.0943 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:N 275 (64) jump= -0.605626 -0.45689 0.155303 -0.632732 169.789 49.3882 -119.244 # jumping subtree containing T0136:Q 257 (46) jump= 0.0045098 -0.584392 -0.253334 -0.770901 113.068 244.012 -193.865 # generation 77: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1937 cost/residue, 174 clashes 0.0294554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 330 ## TwoFragment 7 ## CrossOver 83 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 933 ## OptSubtree 591 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.144604 0.254889 0.565054 0.771256 14.1684 258.066 -197.332 # jumping subtree containing T0136:P 283 (72) jump= 0.70526 0.0915871 -0.494156 -0.500031 -112.186 142.652 -158.72 # jumping subtree containing T0136:P 283 (72) jump= -0.279621 0.843318 0.379442 0.258167 -45.4474 218.499 -148.056 # jumping subtree containing T0136:P 283 (72) jump= -0.826055 0.293156 -0.478425 -0.0529485 161.058 79.8279 38.4739 # jumping subtree containing T0136:L 251 (40) jump= -0.233512 -0.891565 -0.10503 -0.373568 110.713 122.16 -305.409 # generation 78: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1707 cost/residue, 174 clashes 0.0294555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 331 ## TwoFragment 7 ## CrossOver 85 ## CrossAndInsert 30 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 947 ## OptSubtree 608 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.934306 -0.233167 -0.175089 -0.205059 111.534 -35.734 -76.6399 # jumping subtree containing T0136:P 283 (72) jump= -0.936177 0.281616 0.141912 -0.155322 12.4033 70.8658 62.9951 # Removing break before 20 # jumping subtree containing T0136:P 283 (72) jump= -0.429368 0.0884261 0.863683 -0.248748 39.2849 -31.3829 -122.603 # generation 79: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1004 cost/residue, 173 clashes 0.0294555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 332 ## TwoFragment 7 ## CrossOver 86 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 964 ## OptSubtree 620 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 288 (77) jump= 0.69171 -0.421292 -0.56736 0.148838 -37.512 20.7691 -57.2874 # jumping subtree containing T0136:S 231 (20) jump= -0.991595 -0.0883329 -0.0943258 0.00625151 14.281 -6.00516 -41.1631 # jumping subtree containing T0136:K 288 (77) jump= 0.921611 0.32643 -0.079632 -0.194254 -38.0299 -18.9058 -67.07 # jumping subtree containing T0136:S 231 (20) jump= 0.053278 -0.9176 0.307475 -0.246234 111.996 191.208 -128.371 # jumping subtree containing T0136:E 277 (66) jump= -0.350782 0.905827 0.229051 0.0629683 -48.1806 288.467 -220.009 # jumping subtree containing T0136:P 283 (72) jump= 0.725987 -0.0886886 0.26386 0.628852 171.979 111.444 -23.5796 # generation 80: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1004 cost/residue, 173 clashes 0.0294554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 332 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 986 ## OptSubtree 633 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= 0.929338 -0.00712343 0.143016 0.340334 129.143 25.2723 -21.9242 # jumping subtree containing T0136:L 221 (10) jump= -0.371742 0.0269356 -0.605235 0.703401 79.2236 -38.2315 -14.9638 # jumping subtree containing T0136:V 211 (0) jump= -0.31678 -0.942046 0.104736 0.0350853 -30.2882 64.4064 -345.448 # Removing break before 20 # jumping subtree containing T0136:L 251 (40) jump= 0.701659 0.629829 -0.0838577 -0.322426 -76.341 50.8995 -130.367 # generation 81: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1003 cost/residue, 173 clashes 0.0294555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 332 ## TwoFragment 7 ## CrossOver 88 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 999 ## OptSubtree 646 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.612274 0.584936 0.121221 -0.517953 -38.5944 165.898 -23.0044 # jumping subtree containing T0136:N 275 (64) jump= 0.891615 -0.306365 -0.324124 0.0781539 -87.4855 81.4013 -26.8584 # jumping subtree containing T0136:S 231 (20) jump= -0.180178 -0.0889001 0.520663 -0.829785 -0.786942 -17.1635 -33.0208 # Removing break moved up 3 to before 36 # Removing break before 20 # Removing break before 20 # jumping subtree containing T0136:V 211 (0) jump= 0.977838 -0.136702 0.158266 0.00989195 30.3091 40.0613 5.03207 # generation 82: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1003 cost/residue, 173 clashes 0.0294555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 332 ## TwoFragment 7 ## CrossOver 91 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1005 ## OptSubtree 662 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= 0.201839 0.603309 0.177358 0.750881 165.754 136.516 -182.861 # jumping subtree containing T0136:E 277 (66) jump= 0.910029 -0.218341 -0.230943 -0.266159 -96.8761 102.529 12.3811 # jumping subtree containing T0136:E 277 (66) jump= 0.877542 0.242727 0.0646785 -0.408436 -76.0932 14.5325 -56.651 # jumping subtree containing T0136:V 211 (0) jump= 0.483217 0.621602 0.307766 0.534221 138.521 96.17 -212.325 # jumping subtree containing T0136:N 275 (64) jump= -0.0796372 -0.686098 0.610038 0.388304 57.3117 178.599 -178.954 # jumping subtree containing T0136:K 309 (98) jump= -0.761381 -0.642544 -0.0575959 0.064185 -41.6504 -3.39864 -178.276 # jumping subtree containing T0136:E 307 (96) jump= 0.418206 -0.189552 -0.875736 0.1492 -131.526 -8.47754 -230.242 # generation 83: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.0467 cost/residue, 172 clashes 0.0294557 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 333 ## TwoFragment 7 ## CrossOver 94 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1008 ## OptSubtree 679 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 221 (10) jump= -0.165714 0.245494 0.952435 0.071686 -55.9014 55.6537 -323.94 # jumping subtree containing T0136:N 275 (64) jump= 0.890896 -0.351868 0.0499 0.282849 32.9939 104.902 14.0094 # jumping subtree containing T0136:K 309 (98) jump= 0.371647 0.333159 0.856432 -0.131936 7.19645 -4.0153 -139.067 # jumping subtree containing T0136:S 231 (20) jump= -0.310257 0.476503 0.169147 0.805031 10.4778 302.278 -99.0658 # jumping subtree containing T0136:E 307 (96) jump= -0.249759 -0.0669263 -0.711685 0.653182 53.2472 -46.8802 -80.0731 # jumping subtree containing T0136:L 251 (40) jump= 0.928483 0.060412 -0.366197 -0.0130533 -103.112 0.134172 -59.5001 # jumping subtree containing T0136:R 293 (82) jump= -0.437043 -0.187442 0.850727 0.223881 -67.5191 46.3118 -183.935 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:P 256 (45) jump= 0.208724 0.250356 0.939175 -0.108194 4.50992 -24.6793 -149.704 # generation 84: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.0467 cost/residue, 172 clashes 0.0294557 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 333 ## TwoFragment 7 ## CrossOver 96 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1012 ## OptSubtree 697 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.485108 -0.871626 -0.0656864 -0.024987 -41.7938 275.926 -28.6563 # jumping subtree containing T0136:L 251 (40) jump= 0.011217 0.0550842 0.659893 0.749254 69.9653 294.224 -273.288 # jumping subtree containing T0136:P 283 (72) jump= 0.895367 -0.197162 -0.0801598 0.391178 82.0326 80.5775 54.162 # jumping subtree containing T0136:D 280 (69) jump= 0.567417 0.608629 0.554262 -0.0200556 -62.4349 37.7255 -178.525 # jumping subtree containing T0136:V 211 (0) jump= -0.964681 -0.08426 0.113849 -0.2221 19.7258 -18.4287 -45.4537 # generation 85: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.0467 cost/residue, 172 clashes 0.0294557 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 333 ## TwoFragment 7 ## CrossOver 97 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1032 ## OptSubtree 708 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # jumping subtree containing T0136:L 251 (40) jump= 0.462838 0.167254 0.533393 0.687967 190.732 148.665 -186.309 # Removing break before 20 # jumping subtree containing T0136:E 307 (96) jump= -0.854844 -0.0661917 0.228924 -0.460927 34.1999 -35.9131 -32.2716 # jumping subtree containing T0136:L 251 (40) jump= -0.338264 -0.484377 0.774086 -0.227481 101.236 -24.4246 -251.95 # generation 86: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.0458 cost/residue, 172 clashes 0.0294558 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 333 ## TwoFragment 7 ## CrossOver 98 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1038 ## OptSubtree 728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= 0.747092 -0.526112 0.406061 -0.0132346 150.33 176.964 -39.5872 # jumping subtree containing T0136:L 221 (10) jump= 0.0991205 0.451913 0.355933 -0.811949 -109.961 64.4777 -43.7976 # jumping subtree containing T0136:N 275 (64) jump= -0.958889 -0.112189 0.249846 0.0743065 -85.164 -11.4386 -59.2583 # jumping subtree containing T0136:S 231 (20) jump= -0.0180211 0.97995 0.174438 0.0945729 -16.4746 209.491 -302.146 # generation 87: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.0458 cost/residue, 172 clashes 0.0294556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 333 ## TwoFragment 7 ## CrossOver 99 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1048 ## OptSubtree 741 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= 0.860638 0.428634 -0.255838 0.100611 -35.257 -100.564 -154.332 # jumping subtree containing T0136:L 252 (41) jump= 0.993981 0.0758685 0.0224641 -0.0757694 9.13223 -22.2036 0.583618 # jumping subtree containing T0136:E 277 (66) jump= 0.997194 0.00632502 0.0520642 0.0534259 4.69341 -10.0952 -9.71324 # Removing break before 20 # jumping subtree containing T0136:E 307 (96) jump= -0.788713 -0.129093 0.599501 0.0431871 -98.3659 1.70009 -190.714 # jumping subtree containing T0136:E 307 (96) jump= -0.492005 -0.685235 0.235413 0.482665 -167.354 93.3733 -266.765 # jumping subtree containing T0136:A 229 (18) jump= 0.969769 0.235151 0.0647512 0.00769498 23.8587 -68.7348 -41.5102 # jumping subtree containing T0136:L 221 (10) jump= -0.994869 -0.10049 -0.0115563 -0.00188492 -21.3356 -14.3395 -18.4963 # jumping subtree containing T0136:E 277 (66) jump= 0.505573 0.186231 -0.208372 -0.816269 -97.0541 204.169 -92.9226 # jumping subtree containing T0136:V 211 (0) jump= -0.838444 0.287491 -0.128759 -0.444726 53.699 165.293 16.1636 # generation 88: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.0457 cost/residue, 172 clashes 0.0294558 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 333 ## TwoFragment 7 ## CrossOver 101 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1056 ## OptSubtree 759 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.997364 0.0432158 0.0523701 -0.0256032 -6.99795 25.4125 32.1295 # jumping subtree containing T0136:N 275 (64) jump= -0.691852 0.342218 -0.0144576 -0.635624 59.4125 140.636 6.21466 # jumping subtree containing T0136:P 256 (45) jump= 0.438615 0.0656392 0.896224 0.00950144 109.392 -2.28949 -204.767 # jumping subtree containing T0136:P 268 (57) jump= -0.198027 0.473073 0.143324 0.846431 90.6387 252.082 -87.562 # jumping subtree containing T0136:E 307 (96) jump= -0.553774 0.688385 0.412622 -0.221818 -150.208 196.219 -143.856 # jumping subtree containing T0136:F 254 (43) jump= -0.654377 0.565316 -0.0865553 0.494688 103.09 250.185 -34.9222 # jumping subtree containing T0136:E 277 (66) jump= -0.547101 -0.632099 0.533846 -0.127045 22.8737 -27.1906 -279.86 # jumping subtree containing T0136:E 277 (66) jump= -0.952995 -0.0762604 -0.16786 -0.240432 125.944 -14.3996 -29.6875 # generation 89: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8091 cost/residue, 176 clashes 0.0314764 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 335 ## TwoFragment 7 ## CrossOver 101 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1061 ## OptSubtree 778 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.999632 -0.0189155 0.0192316 -0.00283881 -13.8175 -16.7378 -32.6524 # Removing break before 16 # jumping subtree containing T0136:K 309 (98) jump= -0.0887373 -0.473693 0.871623 0.0895169 101.341 107.467 -315.832 # jumping subtree containing T0136:V 211 (0) jump= 0.844921 -0.381707 0.363414 -0.0913192 147.227 164.117 28.3932 # jumping subtree containing T0136:E 307 (96) jump= -0.69584 0.32686 -0.272875 -0.578367 169.889 213.103 6.50951 # generation 90: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8088 cost/residue, 176 clashes 0.0314765 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 102 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1076 ## OptSubtree 793 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.0132037 -0.656025 -0.135634 -0.742334 181.589 234.161 -191.752 # Removing break before 20 # jumping subtree containing T0136:P 256 (45) jump= -0.846134 0.0630262 -0.154833 0.506074 -19.9606 54.3691 26.9142 # jumping subtree containing T0136:F 254 (43) jump= 0.840202 -0.0518886 0.427326 0.329789 207.409 49.1612 -45.3197 # jumping subtree containing T0136:P 256 (45) jump= -0.998087 -0.0194381 -0.0183833 0.0557303 2.91689 -26.287 -3.60788 # Removing break before 20 # generation 91: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7054 cost/residue, 177 clashes 0.0457022 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 105 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1087 ## OptSubtree 811 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.546885 0.463194 -0.43375 0.546104 199.734 184.415 -35.7429 # jumping subtree containing T0136:E 307 (96) jump= 0.909685 -0.0230548 -0.303869 0.282145 -26.242 -51.3373 -36.3932 # jumping subtree containing T0136:E 307 (96) jump= -0.875748 0.148613 -0.0290151 0.458409 -55.8437 111.611 10.8679 # jumping subtree containing T0136:E 307 (96) jump= -0.275785 0.13281 -0.370061 -0.877131 145.598 263.297 -100.562 # Removing break before 20 # jumping subtree containing T0136:E 307 (96) jump= -0.991039 0.0319693 0.084054 -0.0987674 -10.0173 21.3765 -10.7063 # generation 92: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7054 cost/residue, 177 clashes 0.0457025 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 107 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1102 ## OptSubtree 826 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # jumping subtree containing T0136:E 277 (66) jump= -0.964533 -0.116147 0.236476 0.0162803 -79.3008 -23.9142 -63.5068 # jumping subtree containing T0136:N 275 (64) jump= 0.46815 0.484263 0.685162 0.277269 142.973 -11.1693 -276.837 # Removing break before 16 # jumping subtree containing T0136:E 307 (96) jump= -0.940729 0.277062 -0.140079 -0.136542 68.4892 94.6786 48.102 # jumping subtree containing T0136:E 307 (96) jump= -0.285312 0.263606 -0.902701 0.185042 193.461 6.55585 -231.265 # jumping subtree containing T0136:N 275 (64) jump= 0.792833 -0.448652 0.134088 -0.39006 45.0274 219.254 -0.932242 # jumping subtree containing T0136:E 307 (96) jump= -0.50434 0.390652 -0.317497 0.70159 128.686 197.527 -17.9469 # jumping subtree containing T0136:A 244 (33) jump= 0.997198 -0.0527497 -0.0521518 0.00968549 -31.6961 10.4868 -8.79735 # jumping subtree containing T0136:P 256 (45) jump= -0.944659 0.326538 -0.0237054 0.0207569 10.5094 152.32 13.8021 # generation 93: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7052 cost/residue, 177 clashes 0.0457032 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 109 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1116 ## OptSubtree 843 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.99507 0.01646 0.0893497 -0.0397561 -5.56804 -8.79645 -19.0249 # jumping subtree containing T0136:H 227 (16) jump= -0.877677 0.347957 -0.326313 -0.0461285 131.709 134.337 -13.8989 # jumping subtree containing T0136:E 307 (96) jump= -0.573086 0.13013 -0.699226 0.407089 189.889 2.02596 -46.019 # jumping subtree containing T0136:N 275 (64) jump= -0.75914 -0.0451637 -0.405249 -0.507385 229.309 82.3345 -71.3332 # jumping subtree containing T0136:E 307 (96) jump= 0.604321 -0.282882 -0.149557 0.729662 43.9833 93.1431 24.9793 # Removing break before 20 # generation 94: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7044 cost/residue, 177 clashes 0.0457034 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 110 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1120 ## OptSubtree 863 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= -0.99446 -0.0120992 0.0711566 0.0764121 -43.4865 -1.2156 -23.2948 # jumping subtree containing T0136:N 275 (64) jump= -0.431016 -0.162093 -0.878768 0.125373 151.795 -38.8452 -212.909 # jumping subtree containing T0136:E 307 (96) jump= -0.389348 -0.632145 0.576039 0.342024 -70.3505 155.81 -439.736 # jumping subtree containing T0136:E 307 (96) jump= -0.922656 -0.322442 0.173067 0.121591 -92.4877 -29.2442 -142.079 # jumping subtree containing T0136:V 292 (81) jump= -0.877443 0.366285 -0.30952 0.0112237 117.74 163.453 62.5522 # jumping subtree containing T0136:E 307 (96) jump= 0.300494 -0.947087 -0.0897509 0.0683654 -71.8101 364.406 -274.259 # generation 95: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7044 cost/residue, 177 clashes 0.0457034 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 112 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1126 ## OptSubtree 879 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= -0.907481 -0.26429 0.0302018 -0.325142 121.332 -54.0911 -126.557 # Removing break before 16 # jumping subtree containing T0136:S 231 (20) jump= -0.743363 0.31892 0.587712 -0.0171903 -155.43 68.1544 -121.74 # jumping subtree containing T0136:N 275 (64) jump= -0.259099 0.353515 -0.327028 -0.837226 49.6205 349.855 -142.63 # jumping subtree containing T0136:P 256 (45) jump= -0.925794 -0.147247 -0.348025 0.0101155 125.327 -40.1997 -42.0532 # jumping subtree containing T0136:L 251 (40) jump= -0.750442 -0.0344597 -0.553778 0.359137 99.1918 -39.9373 -61.441 # jumping subtree containing T0136:E 307 (96) jump= 0.396594 -0.663926 0.270188 0.573511 58.5825 356.34 -123.879 # jumping subtree containing T0136:A 244 (33) jump= -0.649873 -0.653062 0.156239 0.35604 -137.619 25.1105 -251.102 # jumping subtree containing T0136:H 227 (16) jump= 0.530964 -0.502988 0.467533 0.49648 135.203 235.655 -105.268 # generation 96: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7044 cost/residue, 177 clashes 0.0457034 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 113 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1131 ## OptSubtree 897 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 277 (66) jump= 0.996442 -0.0529158 0.00646834 0.065281 5.50849 10.9497 15.3661 # jumping subtree containing T0136:E 307 (96) jump= 0.860477 0.436857 -0.198642 0.171106 48.525 -54.9676 -206.278 # jumping subtree containing T0136:P 283 (72) jump= -0.506428 0.495233 0.705706 0.0159556 -169.373 115.384 -244.874 # jumping subtree containing T0136:E 307 (96) jump= -0.582584 -0.591697 -0.474335 0.292398 -45.1403 -78.5113 -229.184 # jumping subtree containing T0136:P 256 (45) jump= -0.490562 -0.414919 0.540359 -0.543326 179.676 -44.7385 -181.302 # jumping subtree containing T0136:P 256 (45) jump= -0.202923 0.774217 -0.355074 -0.483045 43.641 343.759 -169.949 # jumping subtree containing T0136:V 211 (0) jump= 0.114227 -0.924476 -0.363714 0.00280746 -109.315 257.06 -317.024 # jumping subtree containing T0136:S 231 (20) jump= 0.742426 -0.213042 -0.54362 -0.328474 -146.338 168.465 -192.888 # Removing break before 20 # generation 97: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7044 cost/residue, 177 clashes 0.0457034 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 114 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1132 ## OptSubtree 919 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 231 (20) jump= -0.407857 0.864576 -0.0842136 -0.28119 -9.97331 330.13 -128.037 # jumping subtree containing T0136:S 231 (20) jump= -0.457486 0.280433 -0.456761 0.70953 170.164 126.735 27.4273 # jumping subtree containing T0136:A 244 (33) jump= -0.658114 0.58809 -0.162737 0.441082 98.7441 266.948 -3.95347 # jumping subtree containing T0136:E 307 (96) jump= -0.906762 0.207182 9.59945e-05 0.367232 -50.6598 153.231 31.9121 # generation 98: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7043 cost/residue, 177 clashes 0.0457032 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 120 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1138 ## OptSubtree 931 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= -0.38539 0.709046 0.136172 -0.574617 -55.6129 262.581 -3.36437 # jumping subtree containing T0136:E 307 (96) jump= -0.950865 -0.26238 0.154833 -0.0551305 -11.1955 -47.7932 -125.778 # jumping subtree containing T0136:P 283 (72) jump= -0.998087 0.0492697 0.0371506 0.00382509 -12.9442 7.89468 20.0236 # Removing break moved up 3 to before 36 # Removing break before 20 # jumping subtree containing T0136:K 288 (77) jump= -0.641244 0.508442 -0.0376525 0.573476 40.7388 372.373 -0.336067 # jumping subtree containing T0136:A 310 (99) jump= -0.867902 0.272354 0.372098 -0.184695 -88.1845 82.9591 -29.1729 # jumping subtree containing T0136:L 251 (40) jump= 0.858575 0.303284 -0.232818 -0.34156 -133.656 33.0612 -117.843 # jumping subtree containing T0136:P 283 (72) jump= 0.988494 0.0113148 0.105829 -0.107479 13.1906 -5.40968 22.9564 # generation 99: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7042 cost/residue, 177 clashes 0.0457036 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 124 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1138 ## OptSubtree 951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.987835 -0.0304226 -0.0664255 0.137272 27.508 -28.2562 12.4327 # jumping subtree containing T0136:A 244 (33) jump= 0.597985 0.499346 0.563967 -0.273876 19.6795 -79.4615 -151.988 # jumping subtree containing T0136:S 264 (53) jump= -0.614988 0.252757 0.0650106 -0.744095 115.001 164.935 68.8373 # generation 100: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.7042 cost/residue, 177 clashes 0.0457036 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 128 ## CrossAndInsert 32 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 1140 ## OptSubtree 969 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_52301085.pdb -s /projects/compbio/tmp/to_scwrl_52301085.seq -o /projects/compbio/tmp/from_scwrl_52301085.pdb -a /projects/compbio/tmp/from_scwrl_52301085_a.pdb -b /projects/compbio/tmp/from_scwrl_52301085_b.pdb > /projects/compbio/tmp/scwrl_52301085.log # T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 62.7076 cost/residue 177 clashes 0.0457036 breaks # iteration 8 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 73.3509 cost/residue, 180 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 23 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.2588 cost/residue, 251 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 45 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 76 # generation 3: best score out of 40: T0136.try1-al10 71.9421 cost/residue, 250 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 61 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10 71.4475 cost/residue, 180 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 77 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10 70.9519 cost/residue, 192 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 92 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 219 (8) jump= 0.695097 -0.212337 -0.681348 -0.0867116 21.6277 15.093 0.763681 # generation 6: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.2135 cost/residue, 187 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 111 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10 69.1665 cost/residue, 136 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 124 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10 68.6396 cost/residue, 149 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 139 ## TwoFragment 8 ## CrossOver 1 ## CrossAndInsert 7 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10 67.6221 cost/residue, 150 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 162 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 8 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10 67.565 cost/residue, 131 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 180 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10 67.2871 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 201 ## TwoFragment 10 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10 65.3445 cost/residue, 121 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 220 ## TwoFragment 11 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10 65.3445 cost/residue, 121 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 234 ## TwoFragment 12 ## CrossOver 3 ## CrossAndInsert 12 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al10 65.2848 cost/residue, 113 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 251 ## TwoFragment 13 ## CrossOver 4 ## CrossAndInsert 15 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al10 64.5569 cost/residue, 110 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 268 ## TwoFragment 14 ## CrossOver 5 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 9 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al10 64.5569 cost/residue, 110 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 286 ## TwoFragment 14 ## CrossOver 5 ## CrossAndInsert 16 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 9 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10 64.5569 cost/residue, 110 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 72 ## InsertFragment 303 ## TwoFragment 15 ## CrossOver 5 ## CrossAndInsert 18 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 287 (76) jump= 0.371635 0.866331 -0.0511858 -0.329756 12.8804 20.2519 27.8436 # generation 18: best score out of 40: T0136.try1-al10 64.5569 cost/residue, 110 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 319 ## TwoFragment 15 ## CrossOver 6 ## CrossAndInsert 18 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 14 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al10 64.4149 cost/residue, 124 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 335 ## TwoFragment 15 ## CrossOver 6 ## CrossAndInsert 20 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 15 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 71 # generation 20: best score out of 40: T0136.try1-al10 63.8249 cost/residue, 181 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 352 ## TwoFragment 15 ## CrossOver 6 ## CrossAndInsert 21 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 16 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0136.try1-al10 63.5429 cost/residue, 181 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 81 ## InsertFragment 366 ## TwoFragment 15 ## CrossOver 7 ## CrossAndInsert 22 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 19 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0136.try1-al10 63.5429 cost/residue, 181 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 380 ## TwoFragment 15 ## CrossOver 8 ## CrossAndInsert 24 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 23 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 71 # generation 23: best score out of 40: T0136.try1-al10 63.5429 cost/residue, 181 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 391 ## TwoFragment 15 ## CrossOver 9 ## CrossAndInsert 27 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 26 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0136.try1-al10 63.5312 cost/residue, 179 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 404 ## TwoFragment 15 ## CrossOver 10 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 29 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0136.try1-al10 63.1659 cost/residue, 182 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 89 ## InsertFragment 419 ## TwoFragment 15 ## CrossOver 11 ## CrossAndInsert 30 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 32 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.959371 -0.00904783 -0.0569193 -0.276198 -2.6725 15.9212 2.01785 # generation 26: best score out of 40: T0136.try1-al10 63.0963 cost/residue, 183 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 90 ## InsertFragment 433 ## TwoFragment 15 ## CrossOver 13 ## CrossAndInsert 31 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 35 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0136.try1-al10 62.6995 cost/residue, 179 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 93 ## InsertFragment 445 ## TwoFragment 15 ## CrossOver 13 ## CrossAndInsert 32 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 40 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0136.try1-al10 62.6576 cost/residue, 172 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 457 ## TwoFragment 15 ## CrossOver 15 ## CrossAndInsert 34 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 44 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.999238 -0.00681883 0.0148708 -0.03544 4.96234 -24.5028 -8.92291 # generation 29: best score out of 40: T0136.try1-al10 62.4855 cost/residue, 179 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 464 ## TwoFragment 15 ## CrossOver 17 ## CrossAndInsert 35 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 57 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 30: best score out of 40: T0136.try1-al10 62.4855 cost/residue, 179 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 472 ## TwoFragment 15 ## CrossOver 20 ## CrossAndInsert 37 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 67 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 31: best score out of 40: T0136.try1-al10 62.4855 cost/residue, 179 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 481 ## TwoFragment 15 ## CrossOver 24 ## CrossAndInsert 37 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 76 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 25 # Removing break before 71 # generation 32: best score out of 40: T0136.try1-al10 62.4793 cost/residue, 173 clashes 0.00766832 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 487 ## TwoFragment 15 ## CrossOver 25 ## CrossAndInsert 37 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 88 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 7 # generation 33: best score out of 40: T0136.try1-al10 62.1012 cost/residue, 179 clashes 0.0122688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 490 ## TwoFragment 15 ## CrossOver 25 ## CrossAndInsert 38 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 104 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 66 # generation 34: best score out of 40: T0136.try1-al10 62.1012 cost/residue, 179 clashes 0.0122688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 494 ## TwoFragment 15 ## CrossOver 25 ## CrossAndInsert 38 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 121 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing T0136:A 238 (27) jump= -0.284014 -0.352682 -0.872447 -0.183816 11.2329 -11.4324 82.2583 # generation 35: best score out of 40: T0136.try1-al10 62.0953 cost/residue, 178 clashes 0.0122688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 497 ## TwoFragment 15 ## CrossOver 26 ## CrossAndInsert 38 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 138 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 38 # generation 36: best score out of 40: T0136.try1-al10 62.0953 cost/residue, 178 clashes 0.0122688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 501 ## TwoFragment 15 ## CrossOver 26 ## CrossAndInsert 38 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 157 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 249 (38) jump= -0.398751 -0.857193 -0.285103 -0.157904 8.82579 11.6948 48.5596 # generation 37: best score out of 40: T0136.try1-al10 61.914 cost/residue, 182 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 505 ## TwoFragment 15 ## CrossOver 27 ## CrossAndInsert 38 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 174 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # jumping subtree containing T0136:S 273 (62) jump= -0.446929 0.718244 -0.012488 0.533126 -44.5712 -40.2449 37.2856 # jumping subtree containing T0136:V 211 (0) jump= -0.529352 0.491893 0.562268 0.402097 51.9117 -26.9636 -7.12449 # Removing break before 38 # generation 38: best score out of 40: T0136.try1-al10 61.914 cost/residue, 182 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 508 ## TwoFragment 15 ## CrossOver 29 ## CrossAndInsert 38 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 190 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 39: best score out of 40: T0136.try1-al10 61.8534 cost/residue, 184 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 514 ## TwoFragment 15 ## CrossOver 32 ## CrossAndInsert 38 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 204 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 40: best score out of 40: T0136.try1-al10 61.8534 cost/residue, 184 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 515 ## TwoFragment 15 ## CrossOver 33 ## CrossAndInsert 38 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 225 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 70 # Removing break before 70 # generation 41: best score out of 40: T0136.try1-al10 61.8534 cost/residue, 184 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 515 ## TwoFragment 15 ## CrossOver 34 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 244 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 42: best score out of 40: T0136.try1-al10 61.8534 cost/residue, 184 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 515 ## TwoFragment 15 ## CrossOver 36 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 264 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # generation 43: best score out of 40: T0136.try1-al10 61.8534 cost/residue, 184 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 515 ## TwoFragment 15 ## CrossOver 37 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 284 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 44: best score out of 40: T0136.try1-al10 61.7303 cost/residue, 177 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 519 ## TwoFragment 15 ## CrossOver 40 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 300 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # generation 45: best score out of 40: T0136.try1-al10 61.5672 cost/residue, 181 clashes 0.0323304 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 523 ## TwoFragment 15 ## CrossOver 41 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 318 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # generation 46: best score out of 40: T0136.try1-al10 61.5076 cost/residue, 168 clashes 0.0286003 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 94 ## InsertFragment 524 ## TwoFragment 15 ## CrossOver 43 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 343 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 38 # generation 47: best score out of 40: T0136.try1-al10 61.5076 cost/residue, 168 clashes 0.0286003 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 527 ## TwoFragment 15 ## CrossOver 44 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 369 ## OptSubtree 37 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.72116 0.025587 0.0718527 -0.688557 4.14903 -9.24156 7.26018 # Removing break before 70 # generation 48: best score out of 40: T0136.try1-al10 61.5076 cost/residue, 168 clashes 0.0286002 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 527 ## TwoFragment 15 ## CrossOver 46 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 390 ## OptSubtree 42 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 70 # Removing break before 70 # generation 49: best score out of 40: T0136.try1-al10 61.3435 cost/residue, 171 clashes 0.0286004 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 529 ## TwoFragment 15 ## CrossOver 47 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 409 ## OptSubtree 44 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # generation 50: best score out of 40: T0136.try1-al10 61.3435 cost/residue, 171 clashes 0.0286003 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 531 ## TwoFragment 15 ## CrossOver 48 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 428 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 51: best score out of 40: T0136.try1-al10 61.3434 cost/residue, 171 clashes 0.0286004 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 531 ## TwoFragment 15 ## CrossOver 49 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 452 ## OptSubtree 49 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 281 (70) jump= 0.882941 0.37523 -0.205165 0.193714 1.43582 5.05357 30.7351 # jumping subtree containing T0136:I 281 (70) jump= -0.964815 0.146019 -0.19023 0.107806 -7.83772 17.4802 14.2586 # Removing break before 70 # generation 52: best score out of 40: T0136.try1-al10 61.3434 cost/residue, 171 clashes 0.0286004 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 531 ## TwoFragment 15 ## CrossOver 49 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 473 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:S 253 (42) jump= 0.992052 0.0718207 0.0503451 0.0902205 3.65669 -14.9744 1.06132 # jumping subtree containing T0136:I 281 (70) jump= 0.703185 0.225833 -0.447029 0.504673 43.5874 39.9951 27.6655 # generation 53: best score out of 40: T0136.try1-al10 61.3434 cost/residue, 171 clashes 0.0286004 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 531 ## TwoFragment 15 ## CrossOver 51 ## CrossAndInsert 39 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 494 ## OptSubtree 53 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 70 # jumping subtree containing T0136:I 281 (70) jump= -0.803135 0.557761 -0.0632991 -0.199676 3.38822 -87.7927 2.81704 # generation 54: best score out of 40: T0136.try1-al10 61.2977 cost/residue, 169 clashes 0.022729 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 532 ## TwoFragment 15 ## CrossOver 52 ## CrossAndInsert 39 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 514 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 70 # generation 55: best score out of 40: T0136.try1-al10 60.9681 cost/residue, 171 clashes 0.0406736 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 536 ## TwoFragment 15 ## CrossOver 53 ## CrossAndInsert 39 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 529 ## OptSubtree 58 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # generation 56: best score out of 40: T0136.try1-al10 60.9681 cost/residue, 171 clashes 0.0406736 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 537 ## TwoFragment 15 ## CrossOver 53 ## CrossAndInsert 39 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 558 ## OptSubtree 61 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:I 281 (70) jump= -0.990856 -0.116494 -0.0601928 -0.0317888 -7.82278 37.4174 -6.81508 # generation 57: best score out of 40: T0136.try1-al10 60.9681 cost/residue, 171 clashes 0.0406737 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 537 ## TwoFragment 15 ## CrossOver 53 ## CrossAndInsert 39 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 586 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 58: best score out of 40: T0136.try1-al10 60.8982 cost/residue, 173 clashes 0.0377636 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 538 ## TwoFragment 15 ## CrossOver 53 ## CrossAndInsert 39 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 607 ## OptSubtree 68 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= 0.421888 0.00242518 -0.653182 0.628775 17.585 52.474 54.6059 # generation 59: best score out of 40: T0136.try1-al10 60.818 cost/residue, 175 clashes 0.0489432 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 539 ## TwoFragment 15 ## CrossOver 55 ## CrossAndInsert 39 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 626 ## OptSubtree 70 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 254 (43) jump= -0.982158 0.16084 0.0133607 -0.0965302 10.1567 -41.6583 0.668946 # generation 60: best score out of 40: T0136.try1-al10 60.818 cost/residue, 175 clashes 0.0489432 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 541 ## TwoFragment 15 ## CrossOver 55 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 650 ## OptSubtree 75 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # generation 61: best score out of 40: T0136.try1-al10 60.818 cost/residue, 175 clashes 0.0489432 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 541 ## TwoFragment 15 ## CrossOver 56 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 679 ## OptSubtree 79 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 62: best score out of 40: T0136.try1-al10 60.818 cost/residue, 175 clashes 0.0489432 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 541 ## TwoFragment 15 ## CrossOver 56 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 700 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 43 # generation 63: best score out of 40: T0136.try1-al10 60.818 cost/residue, 175 clashes 0.0489432 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 541 ## TwoFragment 15 ## CrossOver 57 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 721 ## OptSubtree 84 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 43 # generation 64: best score out of 40: T0136.try1-al10 60.7948 cost/residue, 173 clashes 0.0531588 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 542 ## TwoFragment 15 ## CrossOver 57 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 741 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # generation 65: best score out of 40: T0136.try1-al10 60.7948 cost/residue, 173 clashes 0.0531588 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 543 ## TwoFragment 15 ## CrossOver 58 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 762 ## OptSubtree 88 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.112336 -0.709533 0.610311 0.333864 12.3331 26.8371 -34.9901 # jumping subtree containing T0136:V 272 (61) jump= 0.709743 -0.308268 0.540185 -0.330811 -36.5521 -40.4529 -1.49366 # generation 66: best score out of 40: T0136.try1-al10 60.7948 cost/residue, 173 clashes 0.0531588 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 543 ## TwoFragment 15 ## CrossOver 59 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 793 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= 0.999999 -0.00133745 -0.000393058 -0.000773703 -6.42351 15.5699 -19.1768 # jumping subtree containing T0136:V 272 (61) jump= 0.974636 0.129405 -0.18133 -0.0214171 7.7372 37.5823 -7.43149 # Removing break before 70 # generation 67: best score out of 40: T0136.try1-al10 60.6441 cost/residue, 172 clashes 0.0754122 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 545 ## TwoFragment 15 ## CrossOver 60 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 812 ## OptSubtree 92 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 68: best score out of 40: T0136.try1-al10 60.6441 cost/residue, 172 clashes 0.0754122 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 547 ## TwoFragment 15 ## CrossOver 60 ## CrossAndInsert 39 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 835 ## OptSubtree 96 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 98 # generation 69: best score out of 40: T0136.try1-al10 60.6148 cost/residue, 173 clashes 0.075412 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 547 ## TwoFragment 15 ## CrossOver 61 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 862 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 315 (104) jump= 0.224184 0.467855 0.133179 0.844462 -100.667 54.1982 46.1366 # Removing break before 70 # Removing break before 91 # jumping subtree containing T0136:G 222 (11) jump= -0.0541384 -0.944513 -0.0465233 0.320623 12.0043 80.7249 17.0118 # generation 70: best score out of 40: T0136.try1-al10 60.6148 cost/residue, 173 clashes 0.075412 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 547 ## TwoFragment 15 ## CrossOver 62 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 884 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= 0.926727 0.311073 -0.206477 0.0421621 23.3952 6.20133 -5.05043 # generation 71: best score out of 40: T0136.try1-al10 60.6147 cost/residue, 173 clashes 0.0754118 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 547 ## TwoFragment 15 ## CrossOver 62 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 915 ## OptSubtree 102 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break before 70 # generation 72: best score out of 40: T0136.try1-al10 60.5853 cost/residue, 172 clashes 0.0739772 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 548 ## TwoFragment 15 ## CrossOver 66 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 930 ## OptSubtree 106 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # generation 73: best score out of 40: T0136.try1-al10 60.3919 cost/residue, 173 clashes 0.0837541 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 549 ## TwoFragment 15 ## CrossOver 67 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 951 ## OptSubtree 107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:K 249 (38) jump= -0.579596 -0.391604 0.691849 -0.179055 -64.3014 8.84112 112.899 # Removing break before 70 # generation 74: best score out of 40: T0136.try1-al10 60.3919 cost/residue, 173 clashes 0.0837544 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 550 ## TwoFragment 15 ## CrossOver 68 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 983 ## OptSubtree 107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 249 (38) jump= 0.697037 0.354152 -0.10484 -0.614593 -23.3219 -56.0314 -20.7993 # generation 75: best score out of 40: T0136.try1-al10 60.3919 cost/residue, 173 clashes 0.0837542 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 550 ## TwoFragment 15 ## CrossOver 69 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1014 ## OptSubtree 109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 76: best score out of 40: T0136.try1-al10 60.1397 cost/residue, 173 clashes 0.0874393 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 552 ## TwoFragment 15 ## CrossOver 70 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1033 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # Removing break before 91 # generation 77: best score out of 40: T0136.try1-al10 60.1397 cost/residue, 173 clashes 0.0874394 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 552 ## TwoFragment 15 ## CrossOver 70 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1055 ## OptSubtree 113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 38 # generation 78: best score out of 40: T0136.try1-al10 60.1397 cost/residue, 173 clashes 0.0874396 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 552 ## TwoFragment 15 ## CrossOver 70 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1083 ## OptSubtree 117 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 79: best score out of 40: T0136.try1-al10 60.1397 cost/residue, 173 clashes 0.0874393 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 552 ## TwoFragment 15 ## CrossOver 70 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1107 ## OptSubtree 117 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.85169 -0.0231114 0.314066 -0.41887 -53.9696 91.9214 60.9362 # Removing break before 38 # generation 80: best score out of 40: T0136.try1-al10 60.1252 cost/residue, 173 clashes 0.0881374 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 553 ## TwoFragment 15 ## CrossOver 70 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1127 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 249 (38) jump= 0.593528 -0.294188 -0.693815 -0.282487 -55.6835 -39.4921 130.238 # Removing break before 70 # generation 81: best score out of 40: T0136.try1-al10 60.1252 cost/residue, 173 clashes 0.0881374 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 553 ## TwoFragment 15 ## CrossOver 70 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1150 ## OptSubtree 121 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 304 (93) jump= -0.999328 0.0114761 0.0172327 -0.0302499 -15.9376 19.0292 -13.0295 # jumping subtree containing T0136:F 254 (43) jump= 0.866277 -0.144961 -0.1983 0.435004 -11.0238 60.5707 23.648 # generation 82: best score out of 40: T0136.try1-al10 60.1252 cost/residue, 173 clashes 0.0881371 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 553 ## TwoFragment 15 ## CrossOver 70 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1179 ## OptSubtree 124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 83: best score out of 40: T0136.try1-al10 60.0318 cost/residue, 174 clashes 0.081558 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 554 ## TwoFragment 15 ## CrossOver 71 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1206 ## OptSubtree 124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= -0.741362 0.497338 -0.405779 0.195911 -51.6932 -104.666 -15.1461 # generation 84: best score out of 40: T0136.try1-al10 60.0318 cost/residue, 174 clashes 0.0815578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 554 ## TwoFragment 15 ## CrossOver 71 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1225 ## OptSubtree 130 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # generation 85: best score out of 40: T0136.try1-al10 60.0317 cost/residue, 174 clashes 0.081558 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 554 ## TwoFragment 15 ## CrossOver 72 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1252 ## OptSubtree 135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.677828 0.548518 0.155039 -0.46437 -36.871 43.2737 9.32846 # jumping subtree containing T0136:K 309 (98) jump= 0.970399 -0.0163443 0.20921 -0.119544 -38.4784 -37.6705 -22.6212 # generation 86: best score out of 40: T0136.try1-al10 60.0317 cost/residue, 174 clashes 0.0815578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 554 ## TwoFragment 15 ## CrossOver 73 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1275 ## OptSubtree 138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.990608 0.0974734 -0.081206 0.0509879 -9.59249 9.09705 46.4566 # jumping subtree containing T0136:V 272 (61) jump= -0.993508 0.0971024 -0.0590416 0.00524823 -3.60096 -32.8317 -24.6226 # Removing break before 38 # Removing break before 70 # jumping subtree containing T0136:F 254 (43) jump= -0.367091 0.58927 -0.717441 -0.0572939 -70.7248 -71.6917 -35.7958 # generation 87: best score out of 40: T0136.try1-al10 60.0317 cost/residue, 174 clashes 0.0815578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 554 ## TwoFragment 15 ## CrossOver 74 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1295 ## OptSubtree 141 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 278 (67) jump= -0.25759 0.186974 -0.89288 0.318517 -195.989 -21.7187 62.5776 # jumping subtree containing T0136:F 254 (43) jump= 0.485368 0.719589 0.101694 -0.486074 -57.1358 15.3043 -84.2829 # generation 88: best score out of 40: T0136.try1-al10 59.8905 cost/residue, 182 clashes 0.0815578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 556 ## TwoFragment 15 ## CrossOver 75 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1312 ## OptSubtree 145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:K 309 (98) jump= 0.302534 0.172611 0.479549 0.805426 -171.602 33.617 -0.684448 # generation 89: best score out of 40: T0136.try1-al10 59.8905 cost/residue, 182 clashes 0.0815578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 556 ## TwoFragment 15 ## CrossOver 76 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1330 ## OptSubtree 150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 226 (15) jump= 0.20996 -0.0819776 -0.57061 -0.789684 -85.3779 -9.11653 10.9899 # Removing break before 98 # generation 90: best score out of 40: T0136.try1-al10 59.8644 cost/residue, 176 clashes 0.0815578 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 557 ## TwoFragment 15 ## CrossOver 76 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1357 ## OptSubtree 155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= 0.997189 -0.064888 -0.0367521 0.00722847 -8.16814 -10.0527 -7.67564 # jumping subtree containing T0136:V 292 (81) jump= -0.993597 0.0190965 -0.0414288 -0.103367 6.37251 21.2216 -32.7117 # generation 91: best score out of 40: T0136.try1-al10 59.8582 cost/residue, 182 clashes 0.0815579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 558 ## TwoFragment 15 ## CrossOver 76 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1382 ## OptSubtree 157 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 92: best score out of 40: T0136.try1-al10 59.8582 cost/residue, 182 clashes 0.0815579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 558 ## TwoFragment 15 ## CrossOver 76 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1409 ## OptSubtree 161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 93: best score out of 40: T0136.try1-al10 59.8546 cost/residue, 182 clashes 0.0815581 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 76 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1435 ## OptSubtree 166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 292 (81) jump= -0.805437 -0.385018 -0.172532 0.416252 -31.7998 -35.3339 -74.8004 # generation 94: best score out of 40: T0136.try1-al10 59.8545 cost/residue, 182 clashes 0.0815581 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 76 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1456 ## OptSubtree 169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 95: best score out of 40: T0136.try1-al10 59.8545 cost/residue, 182 clashes 0.0815574 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 76 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1486 ## OptSubtree 174 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.824044 0.442019 0.22783 -0.271411 5.9514 53.9395 86.6438 # generation 96: best score out of 40: T0136.try1-al10 59.8545 cost/residue, 182 clashes 0.0815574 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 77 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1506 ## OptSubtree 177 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 97: best score out of 40: T0136.try1-al10 59.8545 cost/residue, 182 clashes 0.0815574 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 77 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1527 ## OptSubtree 180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:T 217 (6) jump= 0.792358 -0.12105 -0.521567 0.292375 -27.1792 57.0257 93.0982 # Removing break before 43 # generation 98: best score out of 40: T0136.try1-al10 59.8545 cost/residue, 182 clashes 0.0815577 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 77 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1550 ## OptSubtree 181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 281 (70) jump= 0.998815 -0.0287353 -0.0219884 -0.0325479 -23.5755 -4.48596 1.18683 # Removing break before 70 # generation 99: best score out of 40: T0136.try1-al10 59.8545 cost/residue, 182 clashes 0.0815579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 77 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1571 ## OptSubtree 184 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 281 (70) jump= 0.475926 0.811487 -0.289778 0.176102 29.3084 78.0201 134.661 # generation 100: best score out of 40: T0136.try1-al10 59.8544 cost/residue, 182 clashes 0.0815569 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 95 ## InsertFragment 559 ## TwoFragment 15 ## CrossOver 78 ## CrossAndInsert 40 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 1591 ## OptSubtree 187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1443522650.pdb -s /projects/compbio/tmp/to_scwrl_1443522650.seq -o /projects/compbio/tmp/from_scwrl_1443522650.pdb -a /projects/compbio/tmp/from_scwrl_1443522650_a.pdb -b /projects/compbio/tmp/from_scwrl_1443522650_b.pdb > /projects/compbio/tmp/scwrl_1443522650.log # T0136.try1-al10-scwrl 60.8856 cost/residue 182 clashes 0.0815569 breaks # iteration 9 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.7474 cost/residue, 214 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 20 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.3985 cost/residue, 209 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 39 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.0097 cost/residue, 202 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 54 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.7132 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 28 ## InsertFragment 68 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 7 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.395 cost/residue, 165 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 84 ## TwoFragment 1 ## CrossOver 3 ## CrossAndInsert 9 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.7781 cost/residue, 218 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 97 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 11 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.3385 cost/residue, 229 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 110 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 13 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.7154 cost/residue, 153 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 127 ## TwoFragment 3 ## CrossOver 7 ## CrossAndInsert 17 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.446 cost/residue, 156 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 140 ## TwoFragment 3 ## CrossOver 8 ## CrossAndInsert 19 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 59 # generation 10: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.6083 cost/residue, 205 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 154 ## TwoFragment 4 ## CrossOver 9 ## CrossAndInsert 19 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.3924 cost/residue, 207 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 169 ## TwoFragment 4 ## CrossOver 10 ## CrossAndInsert 21 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0074 cost/residue, 235 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 185 ## TwoFragment 4 ## CrossOver 11 ## CrossAndInsert 21 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0074 cost/residue, 235 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 203 ## TwoFragment 4 ## CrossOver 11 ## CrossAndInsert 22 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 9 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9049 cost/residue, 236 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 218 ## TwoFragment 4 ## CrossOver 13 ## CrossAndInsert 23 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 11 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 61 # generation 15: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8495 cost/residue, 219 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 230 ## TwoFragment 4 ## CrossOver 16 ## CrossAndInsert 24 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 12 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.5693 cost/residue, 230 clashes 0.0186074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 69 ## InsertFragment 244 ## TwoFragment 4 ## CrossOver 19 ## CrossAndInsert 25 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 15 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.5693 cost/residue, 230 clashes 0.0186074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 257 ## TwoFragment 4 ## CrossOver 22 ## CrossAndInsert 27 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 18 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= -0.0611728 -0.170634 0.959043 0.217667 14.0094 1.12247 7.55116 # Removing break before 30 # generation 18: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.5315 cost/residue, 224 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 274 ## TwoFragment 4 ## CrossOver 23 ## CrossAndInsert 28 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 20 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # generation 19: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0272 cost/residue, 194 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 288 ## TwoFragment 4 ## CrossOver 26 ## CrossAndInsert 31 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 22 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # generation 20: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0272 cost/residue, 194 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 301 ## TwoFragment 4 ## CrossOver 28 ## CrossAndInsert 32 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 28 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # generation 21: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0272 cost/residue, 194 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 312 ## TwoFragment 4 ## CrossOver 30 ## CrossAndInsert 32 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 32 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # generation 22: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7944 cost/residue, 194 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 324 ## TwoFragment 4 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 36 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # jumping subtree containing T0136:I 247 (36) jump= -0.969843 0.104693 0.220039 -0.00506523 -18.2565 6.51327 -13.3066 # generation 23: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7944 cost/residue, 194 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 32 ## CrossAndInsert 34 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 41 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # Removing break before 30 # Removing break before 30 # generation 24: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7907 cost/residue, 205 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 349 ## TwoFragment 4 ## CrossOver 34 ## CrossAndInsert 34 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 50 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7114 cost/residue, 191 clashes 0.0186074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 81 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 37 ## CrossAndInsert 34 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 60 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 26: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7043 cost/residue, 201 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 81 ## InsertFragment 362 ## TwoFragment 4 ## CrossOver 40 ## CrossAndInsert 35 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 74 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4523 cost/residue, 184 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 371 ## TwoFragment 4 ## CrossOver 43 ## CrossAndInsert 36 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 84 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # generation 28: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4424 cost/residue, 184 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 84 ## InsertFragment 379 ## TwoFragment 4 ## CrossOver 47 ## CrossAndInsert 37 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 93 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 29: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.4421 cost/residue, 184 clashes 0.0186074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 84 ## InsertFragment 385 ## TwoFragment 4 ## CrossOver 52 ## CrossAndInsert 38 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 101 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # Removing break before 30 # generation 30: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.221 cost/residue, 189 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 390 ## TwoFragment 4 ## CrossOver 56 ## CrossAndInsert 38 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 111 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # Removing break before 30 # generation 31: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.221 cost/residue, 189 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 393 ## TwoFragment 4 ## CrossOver 59 ## CrossAndInsert 38 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 127 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # Removing break before 30 # generation 32: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.221 cost/residue, 189 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 397 ## TwoFragment 4 ## CrossOver 61 ## CrossAndInsert 38 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 143 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.221 cost/residue, 189 clashes 0.0186075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 398 ## TwoFragment 4 ## CrossOver 64 ## CrossAndInsert 38 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 160 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.419456 0.533682 0.657273 -0.327464 -12.7865 21.7865 35.912 # jumping subtree containing T0136:D 241 (30) jump= 0.997311 -0.0691099 -0.00939114 0.0224987 1.32693 -13.2446 5.25741 # jumping subtree containing T0136:D 241 (30) jump= 0.642512 -0.0170156 0.761932 -0.0796759 38.6332 9.71573 41.0644 # generation 34: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.141 cost/residue, 190 clashes 0.0155718 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 398 ## TwoFragment 4 ## CrossOver 67 ## CrossAndInsert 38 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 175 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 288 (77) jump= 0.979798 0.168369 -0.0710438 0.0812495 15.7367 -8.90944 -11.4605 # generation 35: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.9452 cost/residue, 186 clashes 0.0186074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 400 ## TwoFragment 4 ## CrossOver 70 ## CrossAndInsert 38 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 189 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 36: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7782 cost/residue, 187 clashes 0.0257387 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 405 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 39 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 201 ## OptSubtree 37 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 37: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7782 cost/residue, 187 clashes 0.0257387 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 407 ## TwoFragment 4 ## CrossOver 77 ## CrossAndInsert 39 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 214 ## OptSubtree 43 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 38: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7232 cost/residue, 185 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 411 ## TwoFragment 4 ## CrossOver 80 ## CrossAndInsert 39 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 227 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.999226 0.0314213 -0.0204475 -0.0119287 7.88882 -13.3109 -18.1599 # jumping subtree containing T0136:V 211 (0) jump= 0.997377 -0.0340332 -0.0499012 -0.0398729 15.5019 -4.11976 10.5487 # generation 39: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7232 cost/residue, 185 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 411 ## TwoFragment 4 ## CrossOver 81 ## CrossAndInsert 39 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 248 ## OptSubtree 49 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.18412 -0.639017 0.167201 -0.727874 4.34886 74.1073 16.2869 # jumping subtree containing T0136:Y 305 (94) jump= -0.649434 0.678004 -0.23447 -0.252129 15.3374 62.2994 -39.4693 # Removing break before 36 # generation 40: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.585 cost/residue, 204 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 413 ## TwoFragment 4 ## CrossOver 83 ## CrossAndInsert 39 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 267 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # generation 41: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.4972 cost/residue, 220 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 416 ## TwoFragment 4 ## CrossOver 86 ## CrossAndInsert 39 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 282 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 42: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.4916 cost/residue, 204 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 418 ## TwoFragment 4 ## CrossOver 91 ## CrossAndInsert 40 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 301 ## OptSubtree 61 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 43: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.475 cost/residue, 207 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 418 ## TwoFragment 4 ## CrossOver 94 ## CrossAndInsert 40 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 318 ## OptSubtree 65 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= 0.974487 0.200005 -0.0778739 0.0656338 -12.0209 -8.72699 5.67086 # jumping subtree containing T0136:F 254 (43) jump= 0.998047 -0.0495334 -0.0186624 -0.0331566 -1.75118 6.41793 14.8722 # generation 44: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.3772 cost/residue, 208 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 419 ## TwoFragment 4 ## CrossOver 95 ## CrossAndInsert 40 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 336 ## OptSubtree 69 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= -0.686703 0.0615746 -0.383351 -0.614565 27.598 29.9231 -16.7152 # generation 45: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.3766 cost/residue, 239 clashes 0.0291266 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 423 ## TwoFragment 4 ## CrossOver 96 ## CrossAndInsert 41 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 356 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.799056 0.490078 0.209517 -0.278273 7.52375 -2.12359 -9.52008 # generation 46: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2827 cost/residue, 209 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 426 ## TwoFragment 4 ## CrossOver 99 ## CrossAndInsert 41 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 377 ## OptSubtree 78 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.989833 -0.109511 0.0457292 -0.0784056 -4.0033 -23.9718 23.9964 # generation 47: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2736 cost/residue, 200 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 101 ## CrossAndInsert 41 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 398 ## OptSubtree 81 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 48: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1902 cost/residue, 192 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 103 ## CrossAndInsert 42 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 419 ## OptSubtree 84 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.629718 -0.00130384 0.265364 0.730092 -27.1584 -18.5399 -16.8844 # generation 49: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1717 cost/residue, 232 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 428 ## TwoFragment 4 ## CrossOver 106 ## CrossAndInsert 42 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 441 ## OptSubtree 91 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.0652193 -0.538186 0.472229 0.695055 8.56773 31.2942 -37.7568 # generation 50: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1711 cost/residue, 232 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 430 ## TwoFragment 4 ## CrossOver 107 ## CrossAndInsert 42 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 462 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.955003 -0.254449 0.074178 0.133127 -5.47729 8.53682 8.4282 # generation 51: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.1575 cost/residue, 179 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 431 ## TwoFragment 4 ## CrossOver 109 ## CrossAndInsert 42 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 490 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 247 (36) jump= 0.585439 0.522249 -0.609439 0.11446 8.67995 -8.52938 -26.6167 # generation 52: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0489 cost/residue, 191 clashes 0.0291265 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 433 ## TwoFragment 4 ## CrossOver 111 ## CrossAndInsert 42 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 514 ## OptSubtree 103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.0720629 0.459168 0.884692 0.035949 21.9399 -1.47547 -41.9039 # generation 53: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8647 cost/residue, 191 clashes 0.0207695 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 435 ## TwoFragment 4 ## CrossOver 114 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 534 ## OptSubtree 109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 54: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8647 cost/residue, 191 clashes 0.0207695 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 437 ## TwoFragment 4 ## CrossOver 116 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 560 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.33903 -0.326992 -0.281225 0.83609 -76.8201 96.7826 6.11017 # generation 55: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8646 cost/residue, 191 clashes 0.0207696 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 437 ## TwoFragment 4 ## CrossOver 117 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 586 ## OptSubtree 116 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.325417 0.903231 0.129695 -0.247904 -44.07 94.7843 -19.0487 # generation 56: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8646 cost/residue, 191 clashes 0.0207696 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 437 ## TwoFragment 4 ## CrossOver 121 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 600 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.979025 -0.0634987 0.169262 0.0939611 -15.4589 3.38701 -18.7729 # generation 57: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8375 cost/residue, 201 clashes 0.0207696 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 440 ## TwoFragment 4 ## CrossOver 123 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 615 ## OptSubtree 126 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 58: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7864 cost/residue, 191 clashes 0.0460285 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 441 ## TwoFragment 4 ## CrossOver 125 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 634 ## OptSubtree 128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 59: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.688 cost/residue, 198 clashes 0.0357846 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 444 ## TwoFragment 4 ## CrossOver 129 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 656 ## OptSubtree 131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= 0.73275 -0.0133959 0.336498 -0.591327 -139.54 3.50239 -0.918958 # generation 60: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6238 cost/residue, 201 clashes 0.0294367 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 445 ## TwoFragment 4 ## CrossOver 131 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 676 ## OptSubtree 138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.881364 0.242861 0.237388 0.328423 46.2562 70.5827 -84.4893 # generation 61: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6237 cost/residue, 201 clashes 0.0294367 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 446 ## TwoFragment 4 ## CrossOver 133 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 698 ## OptSubtree 147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.915804 -0.210163 0.186941 0.286684 -18.4747 -8.69019 -23.9448 # generation 62: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6237 cost/residue, 201 clashes 0.0294367 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 446 ## TwoFragment 4 ## CrossOver 135 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 722 ## OptSubtree 151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.171768 0.625006 -0.0656872 -0.758649 -0.79397 167.841 8.93828 # jumping subtree containing T0136:I 296 (85) jump= -0.944268 0.0730943 0.307948 -0.0904636 15.1737 26.2809 24.1052 # jumping subtree containing T0136:I 296 (85) jump= 0.987613 -0.047866 -0.0119549 -0.148951 -41.9256 -13.6845 -7.39435 # generation 63: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2093 cost/residue, 207 clashes 0.0352777 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 448 ## TwoFragment 4 ## CrossOver 139 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 735 ## OptSubtree 156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.104507 0.300178 0.841927 -0.43604 -66.0569 84.7786 93.6962 # Removing break before 19 # generation 64: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2092 cost/residue, 207 clashes 0.0352777 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 450 ## TwoFragment 4 ## CrossOver 140 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 757 ## OptSubtree 160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= -0.312168 0.234015 -0.619448 -0.681228 30.1691 43.6845 -24.8735 # generation 65: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9861 cost/residue, 207 clashes 0.0264548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 140 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 780 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= 0.558184 0.153621 -0.553348 -0.598863 -80.4646 35.5266 -44.3522 # generation 66: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9861 cost/residue, 207 clashes 0.0264547 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 143 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 796 ## OptSubtree 173 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= 0.899057 0.118413 0.310571 0.284992 1.43168 60.6867 -65.4747 # jumping subtree containing T0136:D 241 (30) jump= 0.470539 -0.574439 -0.530474 0.408914 8.99094 125.472 153.302 # generation 67: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9861 cost/residue, 207 clashes 0.0264547 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 144 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 818 ## OptSubtree 183 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # jumping subtree containing T0136:A 248 (37) jump= -0.719599 0.500964 0.205068 -0.434925 63.1218 84.6901 82.9867 # generation 68: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.986 cost/residue, 207 clashes 0.026455 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 148 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 837 ## OptSubtree 186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= 0.995978 0.0632643 0.059124 -0.0230078 -13.0277 -6.63416 -40.5372 # generation 69: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.986 cost/residue, 207 clashes 0.026455 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 155 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 851 ## OptSubtree 189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.983178 -0.160821 0.0777164 0.0381845 3.31983 8.34913 14.7632 # jumping subtree containing T0136:V 216 (5) jump= -0.261607 0.300648 0.657554 0.639371 -142.521 78.9634 -20.935 # jumping subtree containing T0136:I 296 (85) jump= -0.899656 0.0611004 0.389881 0.186758 -2.36413 5.9549 17.591 # generation 70: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9851 cost/residue, 207 clashes 0.0264549 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 160 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 867 ## OptSubtree 192 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # jumping subtree containing T0136:I 296 (85) jump= 0.869618 -0.219339 0.4422 0.0107026 -12.7562 -20.3439 36.0749 # jumping subtree containing T0136:A 248 (37) jump= -0.996512 0.0817656 0.0164757 -0.00269431 15.1284 -31.7006 8.62897 # generation 71: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9847 cost/residue, 207 clashes 0.026455 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 163 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 885 ## OptSubtree 198 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.844286 -0.252918 0.117911 0.457504 63.1865 71.539 41.4231 # jumping subtree containing T0136:D 291 (80) jump= 0.434961 0.424531 0.708269 0.359078 -29.275 12.6327 -15.8646 # generation 72: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9696 cost/residue, 210 clashes 0.024829 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 452 ## TwoFragment 4 ## CrossOver 167 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 901 ## OptSubtree 206 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.995646 0.0430397 0.0452924 -0.0691786 14.0569 -17.8574 29.2896 # generation 73: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9695 cost/residue, 210 clashes 0.0248292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 452 ## TwoFragment 4 ## CrossOver 172 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 923 ## OptSubtree 214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.206574 0.190139 0.577807 -0.766364 24.2236 178.016 156.409 # jumping subtree containing T0136:V 211 (0) jump= -0.254927 -0.628225 -0.640499 -0.360703 -113.419 85.753 -14.7863 # jumping subtree containing T0136:A 248 (37) jump= 0.92337 -0.194389 -0.0136097 0.330781 84.5165 8.54295 27.4413 # generation 74: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9695 cost/residue, 210 clashes 0.0248291 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 452 ## TwoFragment 4 ## CrossOver 174 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 949 ## OptSubtree 218 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.954722 0.271872 0.115031 -0.0368546 -25.8082 32.2405 -36.4678 # Removing break before 19 # jumping subtree containing T0136:D 241 (30) jump= -0.819128 -0.0388635 0.238268 -0.520333 100.936 39.6809 35.2314 # generation 75: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9695 cost/residue, 210 clashes 0.0248291 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 452 ## TwoFragment 4 ## CrossOver 175 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 967 ## OptSubtree 223 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # Removing break before 19 # generation 76: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9603 cost/residue, 210 clashes 0.0248294 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 452 ## TwoFragment 4 ## CrossOver 180 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 980 ## OptSubtree 229 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.44445 -0.228605 -0.679047 -0.53768 -43.6234 32.9445 -11.2504 # generation 77: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9602 cost/residue, 210 clashes 0.0248292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 452 ## TwoFragment 4 ## CrossOver 184 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1000 ## OptSubtree 230 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.658432 -0.533989 -0.477147 -0.231631 -18.2511 -16.8997 75.4594 # jumping subtree containing T0136:D 242 (31) jump= 0.992215 -0.11202 0.00510116 -0.0541753 5.70108 -27.8883 28.8827 # jumping subtree containing T0136:I 296 (85) jump= 0.479514 0.578532 -0.517726 0.409057 127.029 146.909 46.8465 # jumping subtree containing T0136:A 248 (37) jump= -0.813105 0.140805 0.540458 0.16413 -1.79927 18.9201 3.99864 # generation 78: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9602 cost/residue, 210 clashes 0.0248292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 452 ## TwoFragment 4 ## CrossOver 184 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1027 ## OptSubtree 235 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.299629 -0.895184 -0.216157 0.249286 -11.1057 197.244 98.4877 # generation 79: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8842 cost/residue, 207 clashes 0.0248292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 453 ## TwoFragment 4 ## CrossOver 185 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1044 ## OptSubtree 240 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.908045 0.064788 0.0328403 -0.412526 121.848 20.935 26.8219 # jumping subtree containing T0136:A 248 (37) jump= -0.392563 -0.732461 0.482234 -0.277212 121.315 210.21 52.5288 # jumping subtree containing T0136:D 242 (31) jump= 0.999939 0.000972707 0.0108924 0.0014439 0.600319 -7.40347 -3.84753 # jumping subtree containing T0136:I 296 (85) jump= -0.521754 -0.393529 -0.0921349 0.751278 11.9744 199.304 18.6023 # jumping subtree containing T0136:Y 290 (79) jump= -0.582124 -0.664196 0.434175 0.177389 98.3235 149.729 -8.22508 # jumping subtree containing T0136:I 296 (85) jump= 0.975408 0.213008 0.0557805 -0.00979614 12.4574 -1.13084 -28.5809 # generation 80: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.6359 cost/residue, 201 clashes 0.0248295 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 454 ## TwoFragment 4 ## CrossOver 189 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1058 ## OptSubtree 245 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.218961 0.658411 -0.0716803 0.716528 -42.8346 131.152 48.2224 # jumping subtree containing T0136:D 242 (31) jump= -0.978556 -0.109525 0.021704 -0.173094 57.2071 7.67872 -17.4535 # generation 81: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.6359 cost/residue, 201 clashes 0.0248295 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 454 ## TwoFragment 4 ## CrossOver 192 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1084 ## OptSubtree 250 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.383506 -0.759658 0.356468 0.385712 94.0932 116.124 107.586 # generation 82: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.5696 cost/residue, 198 clashes 0.0248289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 454 ## TwoFragment 4 ## CrossOver 193 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1113 ## OptSubtree 254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.927662 0.305619 -0.201432 0.0739259 47.1701 72.7818 -75.3672 # generation 83: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.5152 cost/residue, 193 clashes 0.0248294 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 455 ## TwoFragment 4 ## CrossOver 198 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1134 ## OptSubtree 258 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.0670585 0.420587 -0.268438 0.864032 28.6018 269.964 42.4575 # generation 84: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.5152 cost/residue, 193 clashes 0.0248294 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 455 ## TwoFragment 4 ## CrossOver 199 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1161 ## OptSubtree 264 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 85: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.4435 cost/residue, 190 clashes 0.0248289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 455 ## TwoFragment 4 ## CrossOver 202 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1181 ## OptSubtree 274 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.734352 0.29081 0.52791 0.3122 -13.026 14.9238 -57.2678 # generation 86: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.4435 cost/residue, 190 clashes 0.0248287 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 455 ## TwoFragment 4 ## CrossOver 206 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1210 ## OptSubtree 277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.991961 0.0988455 -0.0508115 -0.060512 13.9865 -7.72805 10.1696 # jumping subtree containing T0136:V 272 (61) jump= 0.834321 0.0144842 0.430649 -0.34386 -74.8563 73.6339 88.3975 # jumping subtree containing T0136:I 296 (85) jump= 0.098066 -0.0538873 -0.712829 -0.692354 73.005 61.6804 -69.1724 # generation 87: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.4303 cost/residue, 192 clashes 0.0248287 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 456 ## TwoFragment 4 ## CrossOver 206 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1234 ## OptSubtree 285 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= 0.604099 -0.0430748 0.361235 0.709026 127.968 86.4627 -31.3994 # jumping subtree containing T0136:A 248 (37) jump= -0.347851 0.274728 -0.259033 -0.858153 135.223 142.928 -23.991 # generation 88: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.4303 cost/residue, 192 clashes 0.0248287 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 456 ## TwoFragment 4 ## CrossOver 208 ## CrossAndInsert 42 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1259 ## OptSubtree 286 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.723118 0.228765 -0.481976 -0.43871 92.0996 -16.7591 29.5551 # generation 89: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.3041 cost/residue, 192 clashes 0.0260632 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 456 ## TwoFragment 4 ## CrossOver 212 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1281 ## OptSubtree 290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.757813 -0.640162 0.12356 -0.0253794 13.397 41.3429 144.604 # jumping subtree containing T0136:I 296 (85) jump= 0.328382 -0.833656 0.0370341 0.442505 99.2449 172.671 149.827 # generation 90: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.302 cost/residue, 192 clashes 0.0260632 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 456 ## TwoFragment 4 ## CrossOver 212 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1308 ## OptSubtree 296 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 294 (83) jump= 0.1153 -0.697723 0.578271 0.406806 155.765 150.897 62.6127 # jumping subtree containing T0136:A 248 (37) jump= 0.928179 -0.318128 -0.174987 -0.0815915 -22.4142 -22.2424 65.9443 # generation 91: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2655 cost/residue, 193 clashes 0.035751 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 213 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1336 ## OptSubtree 301 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.989217 0.0836924 0.0896624 -0.0800368 58.2816 -10.6176 5.7211 # jumping subtree containing T0136:V 211 (0) jump= 0.346076 0.658018 -0.666727 0.0521298 139.904 132.775 49.6552 # generation 92: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2654 cost/residue, 193 clashes 0.0357507 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 220 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1363 ## OptSubtree 304 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing T0136:I 230 (19) jump= -0.875827 0.388823 -0.148907 -0.24407 51.118 -30.8555 118.645 # jumping subtree containing T0136:I 296 (85) jump= -0.774205 0.401601 0.190863 -0.450438 121.292 37.5586 121.984 # jumping subtree containing T0136:E 307 (96) jump= 0.861193 0.418687 0.246158 0.149845 -26.6429 51.6049 -63.2995 # jumping subtree containing T0136:D 242 (31) jump= 0.46985 -0.735789 -0.122812 -0.471988 -114.027 115.699 144.787 # jumping subtree containing T0136:V 211 (0) jump= -0.977612 0.16504 -0.128927 0.020384 -16.0946 -11.696 65.6637 # generation 93: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2539 cost/residue, 192 clashes 0.035751 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 226 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1386 ## OptSubtree 309 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.38987 -0.195473 0.895658 -0.0871145 51.3302 23.7244 241.255 # generation 94: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2518 cost/residue, 192 clashes 0.0357514 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 228 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1405 ## OptSubtree 312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 294 (83) jump= 0.227426 -0.820712 0.248491 0.461477 128.176 144.908 124.578 # jumping subtree containing T0136:D 294 (83) jump= 0.568775 0.810751 -0.138466 0.00215405 55.2104 211.305 -5.49242 # jumping subtree containing T0136:E 307 (96) jump= -0.684888 0.293327 0.29981 0.595821 -57.9736 37.9654 -0.560893 # jumping subtree containing T0136:A 248 (37) jump= 0.246798 0.145162 0.91165 -0.294811 5.02511 57.5081 195.572 # jumping subtree containing T0136:A 248 (37) jump= 0.948788 -0.193592 0.229559 0.0981088 32.0019 -20.6859 61.4027 # generation 95: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2267 cost/residue, 192 clashes 0.0339653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 458 ## TwoFragment 4 ## CrossOver 228 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1434 ## OptSubtree 320 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= -0.732581 -0.0422047 -0.173717 -0.656785 61.0269 32.9001 4.64412 # generation 96: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2267 cost/residue, 192 clashes 0.0339653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 458 ## TwoFragment 4 ## CrossOver 229 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1457 ## OptSubtree 325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 97: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2267 cost/residue, 192 clashes 0.0339653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 458 ## TwoFragment 4 ## CrossOver 230 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1486 ## OptSubtree 329 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 242 (31) jump= 0.914765 -0.283398 -0.167535 -0.234143 -66.9601 50.4863 43.854 # jumping subtree containing T0136:V 211 (0) jump= 0.656233 0.459962 -0.324037 0.502786 137.464 123.207 -26.7837 # jumping subtree containing T0136:D 242 (31) jump= -0.862383 -0.130636 0.424564 -0.242849 110.528 48.0649 -16.0648 # generation 98: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2267 cost/residue, 192 clashes 0.0339653 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 458 ## TwoFragment 4 ## CrossOver 231 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1502 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 307 (96) jump= -0.783048 0.270065 0.27541 0.487904 -105.738 65.8219 13.9728 # generation 99: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2267 cost/residue, 192 clashes 0.0339648 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 458 ## TwoFragment 4 ## CrossOver 237 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1515 ## OptSubtree 341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # generation 100: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.2266 cost/residue, 192 clashes 0.0339645 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 458 ## TwoFragment 4 ## CrossOver 244 ## CrossAndInsert 42 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1528 ## OptSubtree 345 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_815001152.pdb -s /projects/compbio/tmp/to_scwrl_815001152.seq -o /projects/compbio/tmp/from_scwrl_815001152.pdb -a /projects/compbio/tmp/from_scwrl_815001152_a.pdb -b /projects/compbio/tmp/from_scwrl_815001152_b.pdb > /projects/compbio/tmp/scwrl_815001152.log # T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 61.1643 cost/residue 192 clashes 0.0339645 breaks # iteration 10 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1 73.1593 cost/residue, 256 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 22 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.2078 cost/residue, 177 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 42 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 0 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.9615 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 60 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 0 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.189 cost/residue, 256 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 74 ## TwoFragment 6 ## CrossOver 3 ## CrossAndInsert 0 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.9239 cost/residue, 225 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 93 ## TwoFragment 6 ## CrossOver 4 ## CrossAndInsert 1 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.3285 cost/residue, 256 clashes 0.00783475 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 111 ## TwoFragment 7 ## CrossOver 4 ## CrossAndInsert 2 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.9059 cost/residue, 241 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 123 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 5 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.6658 cost/residue, 283 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 137 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 6 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.6 cost/residue, 280 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 153 ## TwoFragment 9 ## CrossOver 4 ## CrossAndInsert 7 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.438 cost/residue, 286 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 168 ## TwoFragment 9 ## CrossOver 4 ## CrossAndInsert 8 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.438 cost/residue, 286 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 184 ## TwoFragment 10 ## CrossOver 4 ## CrossAndInsert 9 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # generation 12: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.3843 cost/residue, 289 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 198 ## TwoFragment 10 ## CrossOver 6 ## CrossAndInsert 9 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.1811 cost/residue, 269 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 210 ## TwoFragment 10 ## CrossOver 10 ## CrossAndInsert 10 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # generation 14: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.8917 cost/residue, 257 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 223 ## TwoFragment 10 ## CrossOver 12 ## CrossAndInsert 10 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 3 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # generation 15: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.8917 cost/residue, 257 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 54 ## InsertFragment 236 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 12 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 5 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= 0.942781 0.0443226 -0.219402 0.247108 -16.381 6.47516 27.8735 # Removing break before 19 # generation 16: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.7909 cost/residue, 245 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 247 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 13 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 7 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.68 cost/residue, 205 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 252 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 15 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 9 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 45 # Removing break before 47 # jumping subtree containing T0136:N 258 (47) jump= -0.730754 0.121211 0.544061 0.394087 -25.9809 -4.50986 6.97993 # jumping subtree containing T0136:V 308 (97) jump= 0.98033 -0.12256 0.102126 0.116196 19.3897 -10.6296 -13.673 # jumping subtree containing T0136:A 238 (27) jump= 0.0853585 0.963229 -0.250607 0.0458269 -2.22241 -34.4984 40.2416 # generation 18: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.6623 cost/residue, 263 clashes 0.0118477 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 264 ## TwoFragment 10 ## CrossOver 20 ## CrossAndInsert 16 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 10 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 97 # jumping subtree containing T0136:V 211 (0) jump= -0.828217 -0.122649 -0.095918 0.538343 -10.0455 -3.17435 -3.20593 # generation 19: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.6143 cost/residue, 195 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 268 ## TwoFragment 10 ## CrossOver 25 ## CrossAndInsert 16 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 14 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.5082 cost/residue, 178 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 275 ## TwoFragment 10 ## CrossOver 27 ## CrossAndInsert 16 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 21 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 96 # generation 21: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.5082 cost/residue, 178 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 283 ## TwoFragment 10 ## CrossOver 30 ## CrossAndInsert 16 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 26 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 56 # jumping subtree containing T0136:V 211 (0) jump= 0.996695 0.0235785 -0.0290756 0.0720953 -1.00308 -8.74935 -5.49457 # jumping subtree containing T0136:Y 305 (94) jump= 0.758732 -0.604486 -0.225189 0.0906205 16.4962 -23.9944 -7.73686 # generation 22: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.3683 cost/residue, 194 clashes 0.0174391 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 293 ## TwoFragment 10 ## CrossOver 31 ## CrossAndInsert 16 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 28 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 56 # Removing break before 46 # Removing break before 46 # generation 23: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9997 cost/residue, 178 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 298 ## TwoFragment 10 ## CrossOver 34 ## CrossAndInsert 16 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 30 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 62 # Removing break before 40 # jumping subtree containing T0136:S 273 (62) jump= -0.816 -0.345793 0.263536 -0.380945 4.91712 -8.36216 -26.1299 # generation 24: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9997 cost/residue, 178 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 303 ## TwoFragment 10 ## CrossOver 37 ## CrossAndInsert 17 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 33 ## OptSubtree 83 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:V 211 (0) jump= -0.981587 0.0263801 -0.0438766 0.184029 -1.4227 -1.76422 -27.3488 # generation 25: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.957 cost/residue, 176 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 307 ## TwoFragment 10 ## CrossOver 38 ## CrossAndInsert 17 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 38 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.171653 -0.864891 0.0180537 0.471352 -4.71838 0.412292 -6.2875 # Removing break before 27 # Removing break before 27 # jumping subtree containing T0136:V 211 (0) jump= -0.817168 -0.545747 -0.144302 -0.116503 15.0198 2.08906 21.0679 # Removing break before 27 # generation 26: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8335 cost/residue, 151 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 309 ## TwoFragment 10 ## CrossOver 42 ## CrossAndInsert 17 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 41 ## OptSubtree 110 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:L 251 (40) jump= -0.775131 0.164105 -0.263035 0.550503 -11.3644 -18.4574 18.3389 # Removing break before 40 # Removing break before 40 # generation 27: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8335 cost/residue, 151 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 311 ## TwoFragment 10 ## CrossOver 43 ## CrossAndInsert 17 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 47 ## OptSubtree 125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:L 251 (40) jump= 0.94693 0.237148 -0.00237111 -0.216975 13.3764 -18.7081 -14.3564 # jumping subtree containing T0136:N 258 (47) jump= -0.63623 -0.744578 -0.0862256 0.182701 -14.0091 18.9712 -3.06669 # Removing break before 40 # jumping subtree containing T0136:R 293 (82) jump= -0.0932124 -0.105951 0.742806 -0.654466 6.70815 -16.1481 -17.6633 # Removing break before 40 # jumping subtree containing T0136:L 251 (40) jump= -0.707513 0.137755 0.338939 0.604624 -12.7298 -28.0894 -2.8073 # generation 28: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8335 cost/residue, 151 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 311 ## TwoFragment 10 ## CrossOver 45 ## CrossAndInsert 17 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 55 ## OptSubtree 139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= 0.990775 -0.0651714 -0.114401 -0.032098 -3.92193 -3.02872 -17.4827 # Removing break before 40 # jumping subtree containing T0136:L 251 (40) jump= -0.426497 -0.0338528 0.311451 -0.8485 -48.43 6.7325 4.20769 # Removing break before 40 # generation 29: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8162 cost/residue, 151 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 313 ## TwoFragment 10 ## CrossOver 45 ## CrossAndInsert 17 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 65 ## OptSubtree 151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:E 245 (34) jump= -0.279275 -0.179703 -0.919015 -0.212423 -18.4846 10.3084 -83.57 # generation 30: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8162 cost/residue, 151 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 317 ## TwoFragment 10 ## CrossOver 45 ## CrossAndInsert 17 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 69 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:G 289 (78) jump= -0.693551 -0.718269 0.0537932 0.0134919 -0.0651656 -22.7865 12.9394 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:S 273 (62) jump= 0.983412 0.000852657 -0.0619165 0.170491 11.6276 5.52606 -27.1229 # generation 31: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.811 cost/residue, 151 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 318 ## TwoFragment 10 ## CrossOver 45 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 74 ## OptSubtree 184 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:E 245 (34) jump= 0.283974 0.74246 -0.366328 -0.483648 18.08 33.9486 -5.13369 # jumping subtree containing T0136:F 265 (54) jump= -0.387234 0.256812 -0.316 -0.827189 -18.1346 23.4773 -24.5996 # jumping subtree containing T0136:G 289 (78) jump= 0.059581 0.640384 0.726166 -0.242983 -9.76871 -4.92509 -22.9568 # jumping subtree containing T0136:E 245 (34) jump= 0.960119 0.229219 -0.12718 0.0972361 -3.6501 -1.82302 10.8551 # jumping subtree containing T0136:E 245 (34) jump= 0.526758 -0.438392 -0.457563 -0.566546 -22.8696 1.67481 -13.5007 # Removing break before 40 # generation 32: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6451 cost/residue, 154 clashes 0.0126492 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 319 ## TwoFragment 10 ## CrossOver 46 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 81 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:F 265 (54) jump= 0.870479 0.11294 0.252905 -0.406877 8.74599 -2.66584 -4.04572 # jumping subtree containing T0136:E 245 (34) jump= -0.979707 0.0842131 -0.153616 0.0973925 -7.20896 11.7235 5.65273 # jumping subtree containing T0136:V 211 (0) jump= -0.77153 -0.243069 -0.326134 -0.489178 -39.3518 5.23962 -3.43701 # jumping subtree containing T0136:E 245 (34) jump= -0.0987535 0.814596 -0.222598 -0.526432 -0.958972 23.9722 1.57187 # jumping subtree containing T0136:G 303 (92) jump= -0.969134 0.134336 0.174318 0.111117 -12.2941 0.52225 -1.3192 # generation 33: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6154 cost/residue, 150 clashes 0.00560292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 47 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 90 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.856867 0.396237 0.308666 -0.116194 11.4067 7.57023 -16.9427 # jumping subtree containing T0136:F 265 (54) jump= 0.997295 -0.0274543 0.0657075 0.0182179 -16.1714 9.4053 10.0998 # Removing break before 40 # jumping subtree containing T0136:F 265 (54) jump= 0.797638 -0.246228 0.431723 0.341702 8.08325 32.7652 -7.08062 # jumping subtree containing T0136:G 303 (92) jump= 0.19802 -0.143548 0.326606 -0.912968 -29.2778 -10.0877 -8.59075 # generation 34: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6154 cost/residue, 150 clashes 0.00560292 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 47 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 95 ## OptSubtree 244 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # Removing break before 41 # jumping subtree containing T0136:F 265 (54) jump= 0.731907 0.016212 0.671429 -0.11503 -39.6633 -12.0909 -30.9338 # generation 35: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4503 cost/residue, 153 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 321 ## TwoFragment 10 ## CrossOver 48 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 103 ## OptSubtree 267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 41 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:E 245 (34) jump= -0.881307 0.215246 -0.124856 0.401719 -9.97867 4.51093 -2.33035 # generation 36: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4503 cost/residue, 153 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 321 ## TwoFragment 10 ## CrossOver 49 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 108 ## OptSubtree 285 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:E 245 (34) jump= -0.986901 -0.0536952 0.131539 -0.0764219 -3.24091 -7.0816 -30.236 # jumping subtree containing T0136:R 279 (68) jump= -0.988799 -0.100477 0.0568575 -0.0945942 10.7981 -3.1168 -4.87481 # Removing break before 41 # jumping subtree containing T0136:V 211 (0) jump= 0.89759 0.0747608 0.147468 0.408651 -5.93691 26.1095 -17.6782 # jumping subtree containing T0136:L 252 (41) jump= 0.204315 0.253228 0.585838 -0.742243 13.8829 12.0223 13.719 # jumping subtree containing T0136:E 245 (34) jump= -0.157731 0.783683 -0.140648 0.584106 43.3094 49.8966 -34.9834 # Removing break before 41 # jumping subtree containing T0136:E 245 (34) jump= -0.993701 -0.0713536 -0.0561535 -0.0656788 8.79895 -18.7032 2.54074 # Removing break before 41 # jumping subtree containing T0136:E 245 (34) jump= 0.354906 0.569468 -0.738736 0.0633866 -26.3428 9.70271 -38.385 # generation 37: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4446 cost/residue, 153 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 51 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 113 ## OptSubtree 308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= 0.952707 -0.131525 0.182234 -0.204553 10.6134 33.6172 0.467309 # jumping subtree containing T0136:A 226 (15) jump= 0.957295 -0.00508046 -0.270262 0.102558 -21.201 -22.4508 9.51652 # Removing break before 41 # Removing break before 41 # generation 38: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4446 cost/residue, 153 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 323 ## TwoFragment 10 ## CrossOver 51 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 119 ## OptSubtree 325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:G 303 (92) jump= 0.645535 0.221466 0.115489 0.721734 25.9729 9.96605 -11.0163 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:G 303 (92) jump= -0.828142 0.268609 0.47757 0.11814 -30.6752 19.1192 -27.0273 # generation 39: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4223 cost/residue, 154 clashes 0.00560287 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 51 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 128 ## OptSubtree 344 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= -0.748083 -0.152101 0.215386 -0.608971 -21.692 -4.21203 -1.54544 # jumping subtree containing T0136:E 245 (34) jump= 0.998573 -0.0106079 -0.0236956 -0.0466597 -24.295 -6.2413 -16.3666 # jumping subtree containing T0136:V 295 (84) jump= 0.0699241 -0.0374373 -0.414868 -0.906418 -0.280676 18.6875 -0.513445 # Removing break before 41 # jumping subtree containing T0136:L 252 (41) jump= 0.971379 -0.155637 -0.00330252 0.179414 15.9339 1.35255 6.49683 # jumping subtree containing T0136:V 211 (0) jump= -0.689056 -0.269223 0.440091 0.508959 -51.1519 3.04507 5.88711 # Removing break before 41 # Removing break before 41 # generation 40: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4223 cost/residue, 154 clashes 0.00560287 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 52 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 132 ## OptSubtree 363 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.638288 0.360945 -0.656086 0.178491 28.1387 4.09922 -18.9831 # Removing break before 41 # jumping subtree containing T0136:E 245 (34) jump= -0.949757 0.0677808 0.0169385 -0.30509 30.3122 -8.86347 20.0498 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:V 295 (84) jump= 0.761995 -0.492475 -0.168911 0.385099 -5.29239 -7.81739 -29.8008 # generation 41: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4223 cost/residue, 154 clashes 0.00560289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 54 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 141 ## OptSubtree 376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= -0.726661 -0.269992 0.511329 0.370959 -10.7886 -18.138 -36.1099 # jumping subtree containing T0136:E 245 (34) jump= 0.456999 0.630661 -0.346358 -0.522928 -8.42397 32.0198 -44.773 # jumping subtree containing T0136:G 303 (92) jump= -0.999838 -0.00553286 -0.00695481 -0.0156225 -3.74943 -0.882856 27.6144 # jumping subtree containing T0136:G 303 (92) jump= 0.942225 -0.0990639 0.31995 -0.00548193 -7.26907 -11.9762 -8.27371 # Removing break before 41 # jumping subtree containing T0136:G 303 (92) jump= -0.986701 -0.0343002 -0.080508 -0.136981 -9.00345 -29.7691 1.83645 # generation 42: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4223 cost/residue, 154 clashes 0.00560289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 55 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 148 ## OptSubtree 392 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.448804 -0.419393 0.481477 0.625191 -21.3279 -1.44867 4.47732 # jumping subtree containing T0136:G 303 (92) jump= 0.825162 0.363742 -0.19086 0.387779 31.6676 -27.4369 -11.1001 # jumping subtree containing T0136:G 303 (92) jump= -0.271739 0.00690363 -0.781018 0.562247 22.5503 -49.8341 -31.6198 # Removing break before 41 # jumping subtree containing T0136:G 303 (92) jump= -0.968705 -0.177828 0.093689 -0.145637 -19.8203 7.48014 7.98332 # Removing break before 41 # jumping subtree containing T0136:L 252 (41) jump= 0.21712 0.0935558 -0.836004 0.49518 29.5358 -35.5301 -50.8505 # jumping subtree containing T0136:G 303 (92) jump= 0.964106 0.0684326 -0.178951 -0.183827 -20.7752 -6.71711 -14.6153 # generation 43: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4223 cost/residue, 154 clashes 0.00560289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 58 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 152 ## OptSubtree 409 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= 0.9464 -0.167818 0.243228 -0.130397 11.352 25.1588 5.88225 # jumping subtree containing T0136:V 211 (0) jump= -0.348869 -0.45086 0.594763 0.566809 -14.847 0.529564 -29.449 # jumping subtree containing T0136:F 265 (54) jump= 0.0825057 0.523558 0.837016 0.135957 49.1999 -29.5585 -92.685 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:Y 305 (94) jump= -0.861408 0.269237 0.430028 0.0237219 -3.6262 19.9844 -43.1618 # Removing break before 41 # jumping subtree containing T0136:G 303 (92) jump= -0.412786 0.857944 -0.0701809 -0.297684 -6.67747 72.0612 -81.1673 # generation 44: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.4223 cost/residue, 154 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 63 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 158 ## OptSubtree 422 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= 0.994817 0.0787045 0.0403949 -0.0501226 8.74547 -0.219738 -27.6335 # jumping subtree containing T0136:S 273 (62) jump= -0.74863 0.576059 0.323985 0.052373 -10.7161 6.48197 -86.3229 # jumping subtree containing T0136:G 303 (92) jump= -0.348104 0.120666 -0.898626 0.238189 11.5373 -13.0826 -27.8778 # jumping subtree containing T0136:F 265 (54) jump= 0.729324 0.311226 0.586162 0.166247 39.118 -6.9845 1.35637 # generation 45: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.381 cost/residue, 149 clashes 0.00560289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 325 ## TwoFragment 10 ## CrossOver 64 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 163 ## OptSubtree 439 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:Y 305 (94) jump= 0.50373 -0.563774 0.634683 -0.159975 13.8895 28.9854 -67.3498 # jumping subtree containing T0136:E 245 (34) jump= 0.666436 0.281125 -0.0925455 -0.684301 -29.1619 -12.3051 -7.7885 # Removing break before 41 # jumping subtree containing T0136:G 303 (92) jump= 0.0948357 0.772011 0.104673 0.619717 39.4163 -12.7129 -59.9456 # jumping subtree containing T0136:E 245 (34) jump= 0.355818 0.184274 -0.122267 -0.908013 -101.656 37.1514 -19.9621 # jumping subtree containing T0136:E 245 (34) jump= 0.508541 -0.639759 0.332931 -0.470375 25.2598 18.7138 -18.9166 # jumping subtree containing T0136:G 303 (92) jump= -0.0314824 0.945002 -0.302718 0.119761 -20.4414 -33.9916 -134.263 # generation 46: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.381 cost/residue, 149 clashes 0.00560289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 325 ## TwoFragment 10 ## CrossOver 65 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 168 ## OptSubtree 457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= 0.868961 0.486836 0.000633282 -0.0888589 2.08902 -21.1159 -21.5708 # jumping subtree containing T0136:F 265 (54) jump= -0.801865 0.556112 -0.208969 0.0639004 9.9454 -1.27908 -43.996 # jumping subtree containing T0136:G 303 (92) jump= 0.240315 0.62353 0.667609 -0.328265 7.17394 -21.6368 -17.8177 # Removing break before 41 # jumping subtree containing T0136:H 235 (24) jump= 0.74947 0.479267 0.359302 0.281956 48.9448 -64.422 -26.4549 # jumping subtree containing T0136:V 211 (0) jump= -0.770397 0.59389 0.177085 -0.14975 -10.8194 56.0869 -9.50418 # jumping subtree containing T0136:G 303 (92) jump= 0.70441 -0.172791 -0.235844 0.646782 -1.34401 -48.932 0.180693 # jumping subtree containing T0136:E 245 (34) jump= -0.971469 -0.206429 -0.0873507 -0.0774873 -14.7365 -7.98912 9.49867 # generation 47: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.381 cost/residue, 149 clashes 0.00560294 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 325 ## TwoFragment 10 ## CrossOver 66 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 176 ## OptSubtree 480 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:F 265 (54) jump= -0.90157 0.388146 -0.156861 -0.109125 -10.1974 35.6894 -17.4743 # jumping subtree containing T0136:G 303 (92) jump= -0.996495 0.0661413 0.0506977 0.00723299 -10.1894 2.73636 22.6908 # jumping subtree containing T0136:V 295 (84) jump= 0.444361 0.696583 -0.449897 0.338981 8.48141 -71.7734 -51.8595 # jumping subtree containing T0136:G 303 (92) jump= 0.84675 0.208277 0.489036 0.0218838 25.7027 -21.5978 -25.3159 # jumping subtree containing T0136:G 303 (92) jump= -0.997272 0.00926975 -0.0415549 -0.0602957 1.6965 -18.6678 19.9152 # generation 48: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3773 cost/residue, 149 clashes 0.00560289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 327 ## TwoFragment 10 ## CrossOver 66 ## CrossAndInsert 18 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 180 ## OptSubtree 498 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= 0.332178 -0.128836 0.896062 0.264825 26.3368 11.0719 -62.0239 # jumping subtree containing T0136:F 265 (54) jump= -0.284635 -0.282388 -0.905988 -0.135741 26.3536 5.78381 -68.3972 # jumping subtree containing T0136:E 245 (34) jump= 0.603778 0.23097 -0.62259 -0.441007 -41.1232 11.1396 -63.808 # jumping subtree containing T0136:E 245 (34) jump= 0.360023 -0.29519 -0.642758 -0.608365 20.0664 32.5426 -72.3342 # jumping subtree containing T0136:G 303 (92) jump= -0.295993 -0.918012 0.160109 0.20978 -17.0851 -29.4258 -24.0111 # Removing break before 41 # jumping subtree containing T0136:G 303 (92) jump= -0.658945 0.0304837 0.737738 -0.143547 -12.7841 -20.5539 -38.7431 # generation 49: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0595 cost/residue, 168 clashes 0.00560289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 327 ## TwoFragment 10 ## CrossOver 66 ## CrossAndInsert 18 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 188 ## OptSubtree 514 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.978588 -0.169547 -0.0583046 -0.101096 -3.17611 -10.0192 6.8629 # jumping subtree containing T0136:E 245 (34) jump= -0.982018 -0.185704 0.0330277 -0.00799818 -8.775 -4.54552 20.3927 # generation 50: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0595 cost/residue, 168 clashes 0.00560287 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 329 ## TwoFragment 10 ## CrossOver 66 ## CrossAndInsert 19 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 198 ## OptSubtree 535 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.776114 -0.576247 0.169549 -0.191937 -6.72657 -63.144 -17.1545 # jumping subtree containing T0136:E 245 (34) jump= -0.645158 0.58916 -0.392317 -0.28766 37.145 8.60068 25.669 # jumping subtree containing T0136:E 245 (34) jump= -0.9881 0.00694633 0.0144558 0.152974 -10.3703 -13.7637 12.4907 # jumping subtree containing T0136:N 275 (64) jump= 0.8298 0.0290291 -0.282683 -0.480291 17.1938 -16.2585 21.0425 # jumping subtree containing T0136:D 271 (60) jump= -0.0544543 -0.779017 -0.177201 0.598972 19.9237 -3.03335 15.2889 # jumping subtree containing T0136:W 302 (91) jump= 0.999946 -0.00441713 -0.00829748 -0.00433962 15.2036 -1.59112 13.7682 # jumping subtree containing T0136:E 245 (34) jump= -0.227587 -0.634018 0.693542 -0.255393 -33.11 -39.0014 -67.2733 # jumping subtree containing T0136:L 252 (41) jump= -0.660967 0.688198 -0.298425 0.0211988 25.6408 39.652 -53.622 # jumping subtree containing T0136:E 245 (34) jump= 0.217444 -0.00964935 -0.631765 0.743974 11.6551 -44.5956 -57.2765 # jumping subtree containing T0136:V 295 (84) jump= 0.974254 -0.131651 -0.120379 -0.13786 9.27577 10.1906 12.2367 # generation 51: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0595 cost/residue, 168 clashes 0.00560287 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 329 ## TwoFragment 10 ## CrossOver 66 ## CrossAndInsert 19 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 203 ## OptSubtree 562 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.559529 0.27808 -0.662252 -0.413548 14.1033 39.6188 -46.093 # jumping subtree containing T0136:E 277 (66) jump= 0.302721 -0.494346 -0.657154 0.481798 -25.2073 -23.2536 -98.4844 # jumping subtree containing T0136:P 274 (63) jump= 0.83217 0.277131 0.256908 0.405819 7.68905 -7.2449 -11.659 # jumping subtree containing T0136:D 285 (74) jump= 0.973671 -0.162351 0.15373 0.0444274 20.447 22.9474 -22.4328 # jumping subtree containing T0136:L 221 (10) jump= 0.0767251 0.872312 0.435017 -0.209633 6.45422 -57.0658 -106.337 # jumping subtree containing T0136:G 303 (92) jump= 0.992646 0.0900753 0.0304431 0.0749234 -20.6891 -15.1831 -13.7023 # generation 52: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0595 cost/residue, 168 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 329 ## TwoFragment 10 ## CrossOver 67 ## CrossAndInsert 19 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 209 ## OptSubtree 579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= 0.966562 0.0323249 0.0171092 0.253812 -10.3771 -5.52908 17.5349 # jumping subtree containing T0136:G 303 (92) jump= 0.392278 -0.286641 -0.865417 0.122509 27.4885 -6.78169 -62.8697 # jumping subtree containing T0136:D 285 (74) jump= -0.363485 0.286437 0.0805094 0.882808 32.7988 -18.8812 4.28686 # jumping subtree containing T0136:E 245 (34) jump= -0.171144 -0.301678 0.927994 0.136113 52.8915 23.7999 -122.31 # jumping subtree containing T0136:E 245 (34) jump= -0.97788 0.0925114 -0.186532 -0.0199575 19.8247 0.347034 12.4455 # generation 53: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0595 cost/residue, 168 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 329 ## TwoFragment 10 ## CrossOver 69 ## CrossAndInsert 19 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 211 ## OptSubtree 599 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= -0.28617 0.67347 0.596012 -0.330627 11.3345 -53.7639 -23.6957 # jumping subtree containing T0136:G 303 (92) jump= 0.17595 0.748288 0.257187 0.585629 82.6797 1.72875 -77.5666 # jumping subtree containing T0136:E 245 (34) jump= 0.312117 0.0428651 -0.895779 0.31357 42.0972 -39.1952 -109.268 # generation 54: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0595 cost/residue, 168 clashes 0.0056029 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 329 ## TwoFragment 10 ## CrossOver 70 ## CrossAndInsert 19 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 213 ## OptSubtree 620 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.382237 -0.809021 -0.0192627 0.446103 -64.6194 -51.1338 -83.3345 # jumping subtree containing T0136:G 303 (92) jump= 0.661157 -0.381179 0.449616 -0.464133 78.5471 21.4321 -43.3829 # jumping subtree containing T0136:F 265 (54) jump= -0.438822 0.324458 -0.527456 0.651116 126.273 -31.9793 -64.5607 # generation 55: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9741 cost/residue, 168 clashes 0.0110546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 70 ## CrossAndInsert 19 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 218 ## OptSubtree 638 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= -0.375206 -0.454625 0.788073 0.177421 -66.7003 -36.6356 -114.856 # jumping subtree containing T0136:G 303 (92) jump= -0.666884 -0.505406 -0.333378 -0.434383 62.0784 -15.7154 -70.0973 # jumping subtree containing T0136:L 255 (44) jump= 0.735581 0.346032 0.32879 -0.480708 8.99381 -30.9166 -22.1639 # jumping subtree containing T0136:V 295 (84) jump= 0.0996132 0.00526943 -0.829727 0.549183 20.0311 -57.4514 -46.7239 # jumping subtree containing T0136:E 245 (34) jump= 0.948426 0.170579 -0.125181 0.236054 4.83801 -18.1297 -28.697 # generation 56: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9741 cost/residue, 168 clashes 0.0110545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 72 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 221 ## OptSubtree 659 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.999959 -0.00143299 0.00154816 0.00879648 -19.294 7.01824 6.17465 # jumping subtree containing T0136:A 313 (102) jump= -0.248985 -0.830118 0.487864 0.1044 -27.751 -36.6307 -98.0056 # jumping subtree containing T0136:E 245 (34) jump= 0.468928 -0.509498 -0.457027 -0.558251 25.0647 101.706 -102.058 # jumping subtree containing T0136:V 295 (84) jump= 0.581856 -0.481538 0.624911 -0.197613 52.8693 28.3992 -65.4418 # jumping subtree containing T0136:D 271 (60) jump= 0.991849 0.0524168 -0.115918 -0.00711315 -13.7632 2.73021 4.08025 # generation 57: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9741 cost/residue, 168 clashes 0.0110546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 73 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 229 ## OptSubtree 680 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= 0.0855072 -0.100188 0.978178 0.160684 -33.4638 27.4194 -105.487 # jumping subtree containing T0136:V 211 (0) jump= -0.289537 0.445896 0.796167 -0.288901 -27.194 -7.10304 -120.216 # jumping subtree containing T0136:E 245 (34) jump= 0.963767 -0.00810267 0.180146 0.196558 41.8464 -17.2506 7.69894 # jumping subtree containing T0136:V 295 (84) jump= 0.493155 0.374868 -0.554112 -0.556086 -41.4164 11.8383 -39.7241 # jumping subtree containing T0136:L 252 (41) jump= -0.0468151 -0.869617 0.401033 -0.284161 29.8727 -8.28621 -107.381 # jumping subtree containing T0136:F 265 (54) jump= 0.269789 -0.494806 0.29138 0.772968 -41.7543 70.1995 -48.2876 # jumping subtree containing T0136:V 300 (89) jump= 0.624807 -0.0797434 0.556812 0.541496 17.0382 39.629 -47.9142 # jumping subtree containing T0136:V 295 (84) jump= -0.223106 -0.942963 0.138366 0.204695 -51.9896 -20.7884 -129.326 # generation 58: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9741 cost/residue, 168 clashes 0.0110546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 75 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 233 ## OptSubtree 698 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 300 (89) jump= 0.0867148 0.0335193 -0.773734 0.626652 -42.3529 -40.4626 -83.4201 # jumping subtree containing T0136:L 255 (44) jump= -0.78997 -0.182441 0.374182 0.450167 -42.4222 34.0004 -25.7061 # jumping subtree containing T0136:F 265 (54) jump= -0.881167 -0.0823807 -0.404916 -0.229785 23.0416 9.10089 -2.30629 # generation 59: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7355 cost/residue, 168 clashes 0.0154554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 83 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 238 ## OptSubtree 708 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.971951 -0.201911 -0.120524 -0.00422534 34.6959 -22.0001 -7.19135 # jumping subtree containing T0136:E 245 (34) jump= 0.186331 0.0166208 0.928622 -0.320416 132.659 -49.4263 -141.081 # Removing break before 92 # jumping subtree containing T0136:D 271 (60) jump= -0.0357309 -0.725525 0.585225 -0.360345 27.4308 -4.02772 -84.2598 # jumping subtree containing T0136:G 303 (92) jump= 0.985343 -0.0583925 -0.152391 -0.0496606 -44.9974 13.2097 4.77493 # jumping subtree containing T0136:E 245 (34) jump= -0.354883 0.701265 0.611949 -0.0883429 -23.125 30.0165 -108.621 # generation 60: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7355 cost/residue, 168 clashes 0.0154554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 84 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 241 ## OptSubtree 728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.721467 0.559279 -0.406885 0.0337105 -27.5531 -37.0968 -80.28 # jumping subtree containing T0136:F 265 (54) jump= 0.673439 0.534051 -0.0176619 -0.510841 -43.3922 -39.6 -7.66067 # jumping subtree containing T0136:G 303 (92) jump= 0.681109 0.137717 0.707095 0.130921 55.4202 2.01305 -111.924 # Removing break before 92 # jumping subtree containing T0136:F 265 (54) jump= 0.251296 -0.656539 -0.377867 0.602514 -57.8608 -12.6339 -50.8084 # jumping subtree containing T0136:E 245 (34) jump= 0.889783 -0.419821 0.0636728 -0.16728 12.0047 64.8135 -51.5923 # jumping subtree containing T0136:G 303 (92) jump= 0.685826 0.0622694 -0.580112 0.435012 -45.4112 -84.3732 -102.312 # Removing break before 92 # generation 61: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7154 cost/residue, 168 clashes 0.0154554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 87 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 251 ## OptSubtree 749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.169683 0.66107 -0.223506 -0.695873 -74.3472 -80.8345 -48.975 # jumping subtree containing T0136:G 303 (92) jump= -0.997088 0.054569 -0.0504215 0.0171588 12.3656 -16.2051 -11.7009 # jumping subtree containing T0136:G 303 (92) jump= -0.178329 -0.0147625 0.488778 0.85386 -18.791 52.2312 -46.3705 # jumping subtree containing T0136:E 245 (34) jump= -0.499793 -0.475598 -0.672187 -0.268659 78.7765 -3.16506 -111.725 # jumping subtree containing T0136:G 303 (92) jump= -0.974931 0.197484 -0.012051 -0.101808 0.171769 25.3251 9.26334 # generation 62: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7153 cost/residue, 168 clashes 0.0154553 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 89 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 257 ## OptSubtree 769 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= 0.739205 0.373091 0.542475 -0.141777 53.1013 -27.803 -68.9821 # jumping subtree containing T0136:G 303 (92) jump= -0.683486 0.473872 0.393773 0.391453 1.45569 96.0163 -76.3426 # jumping subtree containing T0136:E 245 (34) jump= -0.812581 0.135971 -0.565178 -0.0423992 91.6355 8.0589 2.96344 # jumping subtree containing T0136:E 245 (34) jump= -0.992637 -0.0381069 0.0475029 0.104701 -14.0974 5.87313 -2.12504 # jumping subtree containing T0136:G 303 (92) jump= -0.9981 -0.0544418 0.0109286 -0.0267165 -26.8875 -11.4388 3.73971 # Removing break before 92 # jumping subtree containing T0136:L 255 (44) jump= 0.642241 0.639273 0.17817 0.383553 38.0359 -47.6524 -44.6882 # jumping subtree containing T0136:V 308 (97) jump= -0.436706 -0.0752003 -0.333276 0.832202 94.7252 -36.4778 -25.2448 # jumping subtree containing T0136:A 224 (13) jump= 0.584279 0.733511 0.25762 0.232832 81.8032 -132.851 -114.18 # generation 63: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7153 cost/residue, 168 clashes 0.0154555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 90 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 266 ## OptSubtree 794 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= -0.997259 -0.0409929 0.055783 0.0261231 5.39294 -20.232 -18.84 # Removing break before 92 # Removing break before 92 # jumping subtree containing T0136:M 228 (17) jump= 0.393799 0.460592 0.682696 0.408292 93.1561 -19.1221 -111.407 # generation 64: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7153 cost/residue, 168 clashes 0.0154555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 91 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 269 ## OptSubtree 816 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.0345915 -0.456265 0.537567 -0.708271 111.688 -34.2808 -102.061 # jumping subtree containing T0136:E 245 (34) jump= 0.164947 -0.686099 0.134972 -0.695589 165.73 -13.0549 -165.007 # jumping subtree containing T0136:E 245 (34) jump= 0.953155 0.170488 -0.24945 0.014257 -37.804 -6.22136 -11.6209 # generation 65: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7153 cost/residue, 168 clashes 0.0154555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 93 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 272 ## OptSubtree 835 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 92 # jumping subtree containing T0136:E 245 (34) jump= 0.161219 0.714617 0.252133 0.632266 182.683 -18.828 -179.363 # jumping subtree containing T0136:M 228 (17) jump= 0.728931 0.29571 -0.57015 0.236949 -47.5974 -88.9104 -108.427 # jumping subtree containing T0136:V 295 (84) jump= 0.992231 0.023538 -0.120891 0.0176029 -5.38924 -6.53015 9.47221 # jumping subtree containing T0136:H 227 (16) jump= -0.866751 -0.312489 -0.369022 -0.122128 121.792 -63.8235 -31.8608 # jumping subtree containing T0136:E 245 (34) jump= -0.957849 -0.0907001 -0.108305 -0.250139 22.075 -38.7818 15.4445 # jumping subtree containing T0136:V 211 (0) jump= -0.713782 0.0714196 0.0414494 0.695483 74.9034 5.93791 -9.67625 # jumping subtree containing T0136:F 265 (54) jump= -0.901796 -0.194331 0.353551 0.154923 -75.7577 1.03458 -60.7629 # Removing break before 92 # jumping subtree containing T0136:F 265 (54) jump= 0.00564594 0.94517 0.18054 0.272078 66.1749 -33.0512 -214.401 # jumping subtree containing T0136:G 222 (11) jump= -0.831811 0.0446315 -0.0145915 -0.553069 9.23494 -6.30202 -3.89302 # jumping subtree containing T0136:D 271 (60) jump= 0.48328 0.317256 0.775822 -0.252762 119.978 -104.716 -92.1764 # jumping subtree containing T0136:V 295 (84) jump= 0.613094 -0.360957 -0.579696 -0.397213 9.83421 80.0052 -102.601 # jumping subtree containing T0136:E 245 (34) jump= 0.989034 0.107609 -0.0951401 0.0343686 -26.5624 -20.8179 -30.8068 # jumping subtree containing T0136:G 303 (92) jump= -0.601966 -0.333708 0.534818 0.490149 -75.1617 53.9051 -89.3858 # jumping subtree containing T0136:V 211 (0) jump= -0.981039 0.183123 0.0101705 -0.0626512 -9.02412 3.39417 -25.3837 # Removing break before 92 # Removing break before 92 # generation 66: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7153 cost/residue, 168 clashes 0.0154556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 98 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 272 ## OptSubtree 854 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.995372 0.0653151 -0.0549912 0.0441008 -1.83183 22.3855 -4.07136 # jumping subtree containing T0136:G 303 (92) jump= -0.320382 -0.84889 -0.419934 -0.0199231 59.1946 -129.276 -184.311 # jumping subtree containing T0136:A 218 (7) jump= 0.630104 -0.369147 0.597487 0.331224 52.4353 71.1456 -62.7508 # jumping subtree containing T0136:G 303 (92) jump= 0.808318 0.348845 -0.347809 0.322426 -39.121 -93.9685 -72.091 # jumping subtree containing T0136:L 252 (41) jump= -0.223998 0.0517948 0.74544 -0.625669 34.7928 -164.191 -163.918 # Removing break before 92 # Removing break before 92 # generation 67: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7152 cost/residue, 168 clashes 0.0154555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 104 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 272 ## OptSubtree 872 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.829749 -0.505667 -0.16526 -0.168839 55.6472 -120.871 -52.9199 # jumping subtree containing T0136:V 295 (84) jump= 0.974263 0.0190063 0.2246 -0.00232424 42.0345 -16.3302 -6.87977 # jumping subtree containing T0136:F 265 (54) jump= 0.88833 0.223318 0.0503311 0.398076 50.8788 -57.8895 -21.6962 # jumping subtree containing T0136:M 228 (17) jump= 0.780262 0.482686 -0.0178502 0.397348 29.2253 -129.646 -64.9116 # jumping subtree containing T0136:L 221 (10) jump= 0.0862055 -0.519025 0.769436 -0.362146 121.096 -48.1458 -230.044 # jumping subtree containing T0136:D 271 (60) jump= 0.54418 -0.744852 -0.348955 -0.165208 6.47254 77.7401 -142.961 # generation 68: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7152 cost/residue, 168 clashes 0.0154555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 107 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 276 ## OptSubtree 889 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 92 # jumping subtree containing T0136:E 245 (34) jump= 0.96886 0.181744 -0.148181 -0.0795109 -22.0127 -52.9818 -28.4644 # jumping subtree containing T0136:V 295 (84) jump= -0.903626 -0.00688749 0.127962 -0.408702 -25.7689 -34.6358 6.87764 # Removing break before 92 # jumping subtree containing T0136:E 245 (34) jump= 0.0954128 -0.545106 0.375218 0.743618 -59.0748 73.2655 -62.0895 # jumping subtree containing T0136:A 244 (33) jump= -0.898963 0.435505 0.0411621 0.0224873 22.7288 99.5945 -72.0175 # jumping subtree containing T0136:D 271 (60) jump= -0.612359 0.592356 -0.522767 -0.0290819 65.2414 110.136 -123.445 # jumping subtree containing T0136:G 303 (92) jump= 0.287309 -0.370075 0.23548 -0.851497 109.903 -62.3526 -75.9475 # jumping subtree containing T0136:G 303 (92) jump= 0.196224 -0.4973 -0.357664 -0.76568 136 60.2506 -87.3495 # Removing break before 92 # jumping subtree containing T0136:G 303 (92) jump= -0.133075 -0.0233679 -0.984172 -0.114675 63.431 39.0043 -186.637 # jumping subtree containing T0136:E 245 (34) jump= -0.283673 0.885084 0.0959973 0.356288 102.333 26.0995 -222.107 # jumping subtree containing T0136:D 271 (60) jump= 0.108095 0.318964 0.040436 0.940714 111.157 -21.0578 -24.8468 # jumping subtree containing T0136:G 303 (92) jump= 0.495492 0.842459 -0.175219 -0.118524 -37.6485 -124.285 -137.569 # generation 69: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7152 cost/residue, 168 clashes 0.0154555 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 110 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 277 ## OptSubtree 909 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.0283912 -0.3253 0.716094 0.616915 10.5917 124.825 -106.57 # jumping subtree containing T0136:N 315 (104) jump= -0.988609 -0.0850755 0.0399591 -0.117552 -31.2217 -34.9817 11.8203 # jumping subtree containing T0136:E 245 (34) jump= -0.242199 -0.167933 -0.196936 0.935069 45.244 -82.9985 17.5452 # jumping subtree containing T0136:V 295 (84) jump= -0.998242 0.0274499 0.04868 0.0197576 15.0317 19.0305 -0.399081 # jumping subtree containing T0136:G 303 (92) jump= -0.956971 -0.239228 0.0120857 -0.163798 23.7165 -79.4549 -2.71338 # jumping subtree containing T0136:F 265 (54) jump= 0.27211 -0.467552 0.794514 0.275859 72.9066 101.037 -151.813 # jumping subtree containing T0136:E 225 (14) jump= -0.974766 0.158366 -0.15167 0.0417982 19.7141 38.1791 -19.238 # jumping subtree containing T0136:E 245 (34) jump= -0.111745 0.691813 -0.524117 -0.483951 -49.1234 71.7359 -147.772 # jumping subtree containing T0136:E 245 (34) jump= 0.250746 0.237667 0.683232 0.6433 166.844 34.9477 -133.583 # jumping subtree containing T0136:V 295 (84) jump= -0.592878 -0.350783 -0.462277 -0.558343 119.304 -43.2128 -42.4984 # Removing break before 92 # generation 70: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7152 cost/residue, 168 clashes 0.0154552 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 111 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 279 ## OptSubtree 930 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 233 (22) jump= 0.596066 -0.523981 0.397989 -0.460167 162.753 73.2978 -110.343 # jumping subtree containing T0136:V 211 (0) jump= 0.974017 -0.0411468 0.147325 -0.167009 49.0048 10.3514 32.1871 # jumping subtree containing T0136:F 265 (54) jump= 0.235374 -0.0340281 0.38709 -0.890844 107.088 -75.0992 -35.3833 # jumping subtree containing T0136:V 295 (84) jump= -0.343258 -0.235193 -0.0845733 0.905376 17.2055 -47.5467 -21.6784 # jumping subtree containing T0136:N 233 (22) jump= -0.392757 0.636086 -0.663672 0.0259967 57.68 55.4723 -139.957 # jumping subtree containing T0136:E 245 (34) jump= -0.00724748 0.593365 0.398841 -0.699136 -59.5891 -114.722 -116.662 # jumping subtree containing T0136:E 245 (34) jump= 0.497231 0.761439 -0.0246281 -0.415169 -78.5734 -95.0655 -90.1536 # jumping subtree containing T0136:N 275 (64) jump= 0.528017 -0.413681 0.492852 0.554223 -20.2223 113.648 -90.3328 # jumping subtree containing T0136:V 272 (61) jump= -0.165376 0.0206791 -0.182495 -0.968978 89.6225 18.3359 22.4872 # generation 71: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7151 cost/residue, 168 clashes 0.0154556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 116 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 283 ## OptSubtree 945 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.246272 -0.018203 0.699238 0.670884 122.686 118.627 -110.338 # jumping subtree containing T0136:N 315 (104) jump= 0.130854 -0.923435 0.135429 0.33437 -53.3998 -2.91313 -171.871 # jumping subtree containing T0136:N 233 (22) jump= -0.915498 0.271369 -0.0607956 -0.290735 -16.787 32.7562 -22.9465 # jumping subtree containing T0136:F 265 (54) jump= -0.613897 0.311922 0.707484 0.159067 -26.2882 58.377 -189.466 # jumping subtree containing T0136:E 245 (34) jump= -0.743038 0.0339478 -0.548392 0.38211 163.123 -4.37534 -66.6346 # jumping subtree containing T0136:F 265 (54) jump= 0.975583 0.0453502 0.166193 0.136242 36.954 -26.8759 -4.65043 # generation 72: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7151 cost/residue, 168 clashes 0.0154556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 122 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 285 ## OptSubtree 961 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= 0.775895 0.371778 0.273343 -0.430176 36.922 -98.7118 -27.8504 # jumping subtree containing T0136:N 315 (104) jump= 0.943268 0.0826434 0.320973 -0.0197801 66.6326 -22.1059 -8.86935 # jumping subtree containing T0136:D 271 (60) jump= -0.898386 0.176763 0.179249 0.359898 7.79744 56.4159 -11.3245 # jumping subtree containing T0136:V 295 (84) jump= 0.576347 -0.162858 0.631039 0.493042 70.4471 77.7155 -58.2993 # Removing break before 92 # jumping subtree containing T0136:N 233 (22) jump= -0.99982 0.0111935 -0.00554163 -0.0142796 6.68145 1.67251 -15.9544 # jumping subtree containing T0136:D 271 (60) jump= -0.760564 -0.534034 0.288819 -0.230074 -25.7248 -126.057 -98.2713 # jumping subtree containing T0136:F 265 (54) jump= -0.499452 0.675503 -0.0168327 -0.54218 -35.6395 31.109 -68.5349 # jumping subtree containing T0136:M 228 (17) jump= -0.51123 -0.143057 0.168099 -0.830615 27.9078 -99.9936 -47.4907 # jumping subtree containing T0136:D 271 (60) jump= 0.709269 -0.537893 -0.155093 0.428433 -40.0228 32.535 -67.9849 # jumping subtree containing T0136:V 295 (84) jump= 0.319894 -0.38649 0.617568 -0.605725 112.974 -52.2886 -104.067 # jumping subtree containing T0136:V 295 (84) jump= -0.946341 0.0557748 0.0348791 0.316403 16.7973 31.3256 -7.46316 # generation 73: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7151 cost/residue, 168 clashes 0.0154556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 128 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 286 ## OptSubtree 978 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.164226 -0.66944 0.624648 0.367007 -61.765 52.7176 -200.292 # jumping subtree containing T0136:V 295 (84) jump= 0.927818 -0.124024 -0.276478 -0.217559 -78.822 79.8677 -76.5096 # jumping subtree containing T0136:E 245 (34) jump= -0.768674 -0.340414 0.297321 -0.452614 -1.20132 -118.172 -88.1166 # jumping subtree containing T0136:E 245 (34) jump= -0.00829989 -0.730903 0.340245 0.591561 -114.34 43.8164 -175.719 # jumping subtree containing T0136:G 303 (92) jump= 0.725258 -0.222863 0.0980165 0.643992 3.22281 0.929462 -9.81992 # jumping subtree containing T0136:E 245 (34) jump= -0.710188 0.578484 -0.386583 -0.107436 74.2475 161.141 -161.468 # jumping subtree containing T0136:M 228 (17) jump= 0.896967 0.376341 -0.00540027 0.231924 42.2139 -106.079 -27.5687 # Removing break before 92 # jumping subtree containing T0136:E 245 (34) jump= -0.479339 -0.291891 -0.0572728 0.825684 19.0094 -8.31967 24.3065 # generation 74: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7151 cost/residue, 168 clashes 0.0154556 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 330 ## TwoFragment 10 ## CrossOver 138 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 289 ## OptSubtree 989 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 92 # Removing break before 92 # jumping subtree containing T0136:A 238 (27) jump= 0.989906 -0.0604763 0.127528 -0.0128963 4.92146 8.96929 17.686 # jumping subtree containing T0136:E 245 (34) jump= 0.722876 -0.182793 0.03323 0.665532 16.1872 -46.9729 4.91203 # jumping subtree containing T0136:G 303 (92) jump= -0.858326 0.129544 -0.470845 -0.157479 124.969 44.0431 -56.2193 # jumping subtree containing T0136:E 245 (34) jump= -0.428109 -0.778863 -0.0701455 -0.452962 139.51 -126.398 -213.084 # Removing break before 92 # generation 75: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.556 cost/residue, 177 clashes 0.0242792 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 332 ## TwoFragment 10 ## CrossOver 142 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 290 ## OptSubtree 1006 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 244 (33) jump= 0.622722 0.487636 -0.557976 0.251179 -68.4938 -130.596 -180.679 # jumping subtree containing T0136:L 255 (44) jump= 0.505421 0.152341 -0.849247 -0.0110542 -40.1038 -20.0028 -182.257 # jumping subtree containing T0136:E 245 (34) jump= 0.97293 -0.0927539 -0.177147 -0.11586 -24.5371 57.4419 -37.3649 # jumping subtree containing T0136:E 245 (34) jump= 0.974211 -0.073105 0.169808 -0.129358 72.9859 17.0847 -14.6926 # jumping subtree containing T0136:V 272 (61) jump= 0.761187 -0.412309 -0.486576 -0.117642 -43.9403 71.4661 -100.151 # jumping subtree containing T0136:E 220 (9) jump= 0.481014 0.334064 -0.144484 -0.79759 -17.0636 -39.2116 -18.2362 # jumping subtree containing T0136:F 265 (54) jump= 0.280709 -0.0465587 0.542861 0.79015 101.134 39.9626 -52.3794 # generation 76: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.556 cost/residue, 177 clashes 0.0242792 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 332 ## TwoFragment 10 ## CrossOver 146 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 294 ## OptSubtree 1024 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 228 (17) jump= 0.708517 0.220581 0.654284 -0.14581 161.761 -62.9432 -76.9966 # jumping subtree containing T0136:M 228 (17) jump= -0.719793 -0.558883 0.411103 0.0232625 -73.6264 -71.2752 -133.981 # jumping subtree containing T0136:L 255 (44) jump= -0.414658 -0.149518 0.796055 0.414728 -65.1334 72.7523 -172.939 # jumping subtree containing T0136:L 255 (44) jump= 0.477496 0.674423 -0.254863 0.502192 78.8182 -129.799 -163.373 # jumping subtree containing T0136:L 255 (44) jump= 0.974106 -0.0249282 -0.222803 -0.029241 -42.24 -21.0664 -24.1774 # jumping subtree containing T0136:L 252 (41) jump= 0.85127 -0.32735 -0.395744 0.107553 -64.0708 46.1017 -101.713 # jumping subtree containing T0136:L 255 (44) jump= -0.932794 0.174809 0.0668775 0.307999 20.7209 39.3363 -38.7676 # jumping subtree containing T0136:E 245 (34) jump= 0.561215 0.694013 -0.430062 0.135758 -50.4742 -112.577 -188.91 # generation 77: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.556 cost/residue, 177 clashes 0.0242792 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 332 ## TwoFragment 10 ## CrossOver 149 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 295 ## OptSubtree 1050 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.196066 -0.669272 0.244529 -0.673675 198.029 -23.3862 -180.087 # jumping subtree containing T0136:G 303 (92) jump= 0.615795 0.486009 -0.619504 -0.0283912 -67.9768 -37.3272 -131.993 # jumping subtree containing T0136:E 245 (34) jump= 0.922833 0.272717 -0.176714 0.206828 -30.131 -78.6827 -8.86123 # jumping subtree containing T0136:G 303 (92) jump= 0.886806 -0.274072 -0.261634 0.264588 -87.3241 -0.513245 -60.0665 # jumping subtree containing T0136:N 233 (22) jump= 0.247126 -0.0264945 0.209676 -0.945655 74.9677 -40.5603 -12.1534 # jumping subtree containing T0136:N 233 (22) jump= 0.819718 -0.284183 0.437763 0.235938 91.3039 69.2358 -67.4643 # jumping subtree containing T0136:V 295 (84) jump= 0.0584787 -0.132945 -0.720284 -0.678304 77.5438 67.2273 -115.283 # jumping subtree containing T0136:F 265 (54) jump= -0.0337467 0.807537 0.16481 -0.565317 -43.5223 -54.9506 -97.9473 # jumping subtree containing T0136:I 234 (23) jump= -0.964654 -0.0329277 0.0652021 0.253193 -6.5847 35.5696 10.9408 # jumping subtree containing T0136:E 245 (34) jump= 0.940869 -0.227428 0.217907 0.124736 60.1829 64.6518 -29.0891 # generation 78: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.556 cost/residue, 177 clashes 0.0242791 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 332 ## TwoFragment 10 ## CrossOver 153 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 296 ## OptSubtree 1069 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= -0.613161 -0.0488298 -0.651631 -0.443877 124.984 16.3906 -73.6023 # jumping subtree containing T0136:D 271 (60) jump= 0.285585 -0.426573 -0.191118 0.836631 -1.58298 -52.7032 -37.9652 # jumping subtree containing T0136:D 271 (60) jump= 0.900226 -0.117612 0.416606 -0.0469024 70.3402 6.1019 -5.50234 # jumping subtree containing T0136:L 255 (44) jump= 0.0459085 0.0894495 -0.561207 0.821546 74.1856 -141.895 -106.726 # jumping subtree containing T0136:V 272 (61) jump= -0.0565266 0.0893417 0.987813 0.114232 72.8908 21.0574 -207.598 # jumping subtree containing T0136:E 245 (34) jump= -0.728727 -0.230752 0.644753 -0.00192276 -103.518 -21.7922 -149.245 # generation 79: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.556 cost/residue, 177 clashes 0.0242791 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 332 ## TwoFragment 10 ## CrossOver 158 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 296 ## OptSubtree 1088 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= 0.50323 0.607668 0.608178 0.0872814 93.9554 -103.019 -135.408 # jumping subtree containing T0136:G 289 (78) jump= 0.913651 0.19478 0.356134 0.0217236 84.587 -23.4897 -9.25008 # jumping subtree containing T0136:E 245 (34) jump= -0.997293 -0.0718605 -0.0152901 -0.00292927 7.70443 -23.1709 -2.68215 # jumping subtree containing T0136:L 252 (41) jump= -0.933689 -0.295179 -0.176913 -0.0989772 48.5426 -87.3041 -31.91 # jumping subtree containing T0136:L 252 (41) jump= -0.992411 0.00356332 -0.0619386 0.106167 15.7988 32.6531 19.1566 # jumping subtree containing T0136:G 303 (92) jump= 0.88236 -0.0896422 -0.0232192 0.461375 -33.9098 -39.4953 1.4561 # jumping subtree containing T0136:N 233 (22) jump= -0.883216 -0.132461 -0.0168804 0.449554 -6.09462 -22.2825 17.946 # jumping subtree containing T0136:V 295 (84) jump= -0.802895 -0.0251712 0.233763 -0.547797 -29.2976 -65.8534 -15.7951 # generation 80: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.556 cost/residue, 177 clashes 0.0242791 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 332 ## TwoFragment 10 ## CrossOver 163 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 296 ## OptSubtree 1107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= -0.191876 0.0635669 0.959962 0.193948 29.6344 69.6374 -249.524 # jumping subtree containing T0136:N 233 (22) jump= 0.585939 0.112205 -0.24271 0.764969 33.3986 -119.791 -39.1886 # jumping subtree containing T0136:L 255 (44) jump= 0.704168 0.649132 -0.113018 -0.264577 -55.5338 -108.954 -58.2722 # jumping subtree containing T0136:V 272 (61) jump= 0.826423 -0.212789 0.063685 0.517388 10.9155 26.8141 4.71437 # jumping subtree containing T0136:E 245 (34) jump= 0.495686 -0.149158 0.805586 0.288234 146.543 87.276 -120.339 # jumping subtree containing T0136:E 245 (34) jump= 0.842353 -0.231767 0.470621 -0.123458 145.748 73.1868 -41.7107 # jumping subtree containing T0136:M 228 (17) jump= 0.845245 -0.18001 0.425108 -0.269148 141.565 31.6566 -36.3874 # jumping subtree containing T0136:N 233 (22) jump= -0.848319 0.300156 -0.145775 0.411109 68.076 87.0502 -18.6143 # jumping subtree containing T0136:G 303 (92) jump= 0.507564 0.0360242 -0.797671 0.323732 -38.2724 -81.9386 -172.824 # jumping subtree containing T0136:E 245 (34) jump= 0.921591 0.22973 -0.312396 -0.0174154 -50.7278 -70.513 -51.0255 # generation 81: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.327 cost/residue, 181 clashes 0.0408337 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 333 ## TwoFragment 10 ## CrossOver 169 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 296 ## OptSubtree 1124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= 0.999248 -0.0330661 -0.0151422 -0.0134603 8.69223 11.7377 13.7608 # Removing break before 92 # Removing break before 92 # jumping subtree containing T0136:L 255 (44) jump= 0.746947 -0.60962 0.00385874 -0.265366 60.0227 114.714 -105.129 # jumping subtree containing T0136:A 313 (102) jump= 0.014837 -0.900973 -0.347276 -0.259668 77.41 -10.8226 -206.713 # jumping subtree containing T0136:P 283 (72) jump= 0.750118 0.320913 0.229261 0.530827 68.5208 -85.9397 -10.7658 # generation 82: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.327 cost/residue, 181 clashes 0.0408337 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 174 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 299 ## OptSubtree 1139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.776058 -0.280606 0.228931 0.516319 33.2667 47.744 11.6759 # jumping subtree containing T0136:F 265 (54) jump= -0.641452 -0.383254 -0.267725 -0.608259 94.0266 -79.5593 -53.4054 # jumping subtree containing T0136:F 265 (54) jump= 0.343374 -0.402943 0.664891 0.526927 37.8921 103.125 -103.002 # jumping subtree containing T0136:E 245 (34) jump= 0.338962 0.8109 -0.440077 -0.184062 -71.0843 -80.8154 -180.543 # jumping subtree containing T0136:M 228 (17) jump= 0.895303 -0.440225 0.00175269 0.0680545 -2.1168 59.3603 -63.39 # jumping subtree containing T0136:E 245 (34) jump= -0.665151 -0.209641 0.296479 -0.652475 7.82505 -124.95 -51.5997 # jumping subtree containing T0136:N 233 (22) jump= 0.662787 0.279231 0.299843 0.626768 115.754 -19.3953 -23.1931 # jumping subtree containing T0136:F 265 (54) jump= 0.351231 -0.444759 -0.542002 -0.620533 81.9669 112.593 -137.644 # jumping subtree containing T0136:M 228 (17) jump= -0.469228 0.208381 0.266903 -0.815577 -24.4242 -73.0083 -39.699 # generation 83: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.327 cost/residue, 181 clashes 0.0408337 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 174 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 309 ## OptSubtree 1162 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 224 (13) jump= 0.244784 -0.903647 0.329624 -0.121867 42.2508 60.7512 -234.205 # jumping subtree containing T0136:L 252 (41) jump= 0.632603 -0.655812 -0.0750472 0.405082 -50.6085 43.136 -110.748 # jumping subtree containing T0136:G 303 (92) jump= -0.782965 0.61458 -0.0876991 -0.0395829 -12.9502 104.894 -86.0984 # jumping subtree containing T0136:G 303 (92) jump= 0.413662 0.646377 -0.631958 0.108206 -41.4986 -51.6913 -179.049 # jumping subtree containing T0136:F 265 (54) jump= -0.931538 0.344626 -0.0998598 -0.0591492 -0.458147 66.5586 -60.5231 # jumping subtree containing T0136:V 272 (61) jump= -0.727182 0.617708 0.208389 0.214983 7.36855 114.803 -139.87 # jumping subtree containing T0136:E 245 (34) jump= 0.106273 0.587745 -0.70945 -0.37409 -10.0101 56.4581 -178.35 # jumping subtree containing T0136:N 233 (22) jump= 0.191332 -0.53589 -0.695586 0.438604 -60.7331 -89.6787 -218.595 # jumping subtree containing T0136:E 245 (34) jump= -0.984647 -0.113772 0.106899 0.0780989 -1.91066 -28.9835 -1.94697 # jumping subtree containing T0136:E 245 (34) jump= 0.329789 -0.627618 0.565648 0.421162 -17.6009 125.188 -155.871 # generation 84: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.327 cost/residue, 181 clashes 0.0408336 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 178 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 311 ## OptSubtree 1180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.633376 -0.272468 0.223285 0.689014 4.18918 62.5001 -22.0842 # jumping subtree containing T0136:E 245 (34) jump= 0.950968 0.121525 -0.0877007 -0.270556 -24.7983 10.6015 -9.73433 # jumping subtree containing T0136:E 245 (34) jump= -0.0865257 0.715435 0.41474 -0.555569 -89.8194 -119.19 -159.55 # jumping subtree containing T0136:G 303 (92) jump= -0.952106 0.0301311 0.289386 -0.0940356 -82.1206 6.68492 -25.4982 # jumping subtree containing T0136:D 285 (74) jump= 0.999727 -0.00928624 0.0127354 -0.0172278 24.8266 -6.83047 10.9569 # jumping subtree containing T0136:V 211 (0) jump= 0.968683 -0.0353036 -0.0836902 0.231092 -30.3525 -29.9922 -2.53323 # jumping subtree containing T0136:E 245 (34) jump= -0.900612 -0.188207 -0.0923256 0.380725 49.0348 -29.7954 4.39706 # jumping subtree containing T0136:E 245 (34) jump= 0.568165 -0.194755 -0.799027 -0.028533 -25.8804 6.55233 -223.946 # jumping subtree containing T0136:E 245 (34) jump= 0.585507 0.387867 -0.0287714 -0.711276 1.34908 -13.6409 -7.7565 # generation 85: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3235 cost/residue, 181 clashes 0.0408336 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 184 ## CrossAndInsert 20 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 312 ## OptSubtree 1197 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 85 # jumping subtree containing T0136:G 303 (92) jump= 0.962996 0.190277 0.0063137 0.190768 12.727 -68.856 10.355 # jumping subtree containing T0136:G 303 (92) jump= 0.560543 -0.258066 -0.555061 -0.557764 4.05396 92.9998 -91.2938 # jumping subtree containing T0136:E 245 (34) jump= 0.920873 0.189127 -0.0394261 -0.33863 -19.467 -41.786 8.86755 # jumping subtree containing T0136:E 245 (34) jump= -0.604013 0.0657768 0.619895 0.496561 -42.6913 87.992 -115.906 # jumping subtree containing T0136:N 315 (104) jump= -0.745167 0.58991 -0.0917784 0.297168 75.5251 79.6576 -100.398 # jumping subtree containing T0136:G 303 (92) jump= 0.768295 -0.548404 -0.126088 0.305087 -87.9074 35.8131 -125.099 # jumping subtree containing T0136:E 245 (34) jump= -0.842642 0.0872324 -0.347352 -0.402108 51.8065 22.1617 -16.5118 # jumping subtree containing T0136:D 291 (80) jump= -0.808772 -0.504242 0.295401 -0.0660724 -50.2498 -56.922 -63.6104 # jumping subtree containing T0136:V 272 (61) jump= -0.967295 0.0246326 -0.180235 -0.176773 40.6034 8.89696 5.54657 # jumping subtree containing T0136:G 303 (92) jump= -0.801635 -0.148525 0.22657 -0.532905 -23.6705 -105.126 -36.7008 # jumping subtree containing T0136:E 245 (34) jump= -0.937652 -0.267818 0.170479 0.141485 -20.3262 -49.3721 -15.2262 # Removing break before 92 # generation 86: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2883 cost/residue, 181 clashes 0.0375506 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 184 ## CrossAndInsert 20 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 316 ## OptSubtree 1219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.553931 0.761722 0.265047 -0.206613 -2.74579 -148.757 -126.465 # jumping subtree containing T0136:M 228 (17) jump= 0.996707 0.0649569 -0.0387716 0.0291947 14.8016 -24.2128 13.8604 # jumping subtree containing T0136:E 245 (34) jump= -0.514218 0.491452 -0.222491 -0.666748 -38.706 36.5454 -53.5548 # jumping subtree containing T0136:E 245 (34) jump= 0.764711 0.0203004 -0.434065 -0.475808 -65.3308 52.8263 -68.1755 # jumping subtree containing T0136:G 303 (92) jump= 0.631388 0.113268 -0.766736 -0.0252136 -108.006 -10.8655 -137.069 # generation 87: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2675 cost/residue, 175 clashes 0.0408336 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 187 ## CrossAndInsert 21 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 323 ## OptSubtree 1242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= 0.302809 -0.404371 0.0472316 -0.861719 157.565 6.58377 -66.8853 # jumping subtree containing T0136:E 245 (34) jump= 0.231231 0.150007 0.895116 -0.350425 103.859 -121.116 -193.065 # jumping subtree containing T0136:F 265 (54) jump= -0.0849436 -0.267648 0.483607 -0.82902 90.8991 -93.8866 -114.1 # jumping subtree containing T0136:H 227 (16) jump= -0.883402 0.395169 -0.200055 0.153038 79.4105 82.0751 -56.2202 # jumping subtree containing T0136:E 245 (34) jump= -0.278939 0.702693 0.17355 0.631107 168.923 -13.5885 -201.424 # jumping subtree containing T0136:F 265 (54) jump= -0.559016 -0.344227 0.749532 -0.0849177 -24.2914 -39.6479 -182.204 # jumping subtree containing T0136:G 303 (92) jump= -0.2621 0.440002 -0.250959 -0.821414 -34.5454 -14.3001 -44.1864 # jumping subtree containing T0136:F 265 (54) jump= -0.588318 -0.239246 -0.400474 0.660502 76.9271 -76.8958 -43.3114 # jumping subtree containing T0136:I 296 (85) jump= 0.927056 -0.195526 0.164069 -0.274624 51.1055 51.7138 -40.842 # jumping subtree containing T0136:E 245 (34) jump= -0.864493 -0.442677 0.0622314 0.229818 -11.6275 -88.9687 -19.7514 # jumping subtree containing T0136:W 302 (91) jump= -0.943249 -0.165136 -0.2768 0.0799505 59.6733 -16.6774 -7.7142 # jumping subtree containing T0136:E 245 (34) jump= 0.858252 0.231321 0.0362601 0.456705 49.6717 -83.2073 -32.6678 # generation 88: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2675 cost/residue, 175 clashes 0.0408337 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 189 ## CrossAndInsert 21 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 327 ## OptSubtree 1271 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= -0.261637 -0.0619334 0.63788 0.721678 34.4071 73.5162 -72.5517 # Removing break before 85 # jumping subtree containing T0136:E 245 (34) jump= 0.238957 0.90978 0.299338 -0.159988 -1.40414 -185.277 -213.494 # jumping subtree containing T0136:W 302 (91) jump= 0.989036 -0.0155869 -0.0283397 -0.144093 22.6917 5.00984 6.08461 # jumping subtree containing T0136:E 245 (34) jump= 0.996749 0.0668398 0.0370234 -0.0255435 24.2115 -36.5872 -6.02625 # jumping subtree containing T0136:E 245 (34) jump= 0.984584 0.0987977 0.14273 -0.0215011 38.9153 -19.5024 -18.8805 # jumping subtree containing T0136:M 228 (17) jump= 0.763263 -0.106721 0.269785 0.577284 58.7686 43.6663 10.6384 # jumping subtree containing T0136:N 233 (22) jump= 0.63728 0.727106 0.109904 0.230459 62.3803 -168.323 -135.354 # jumping subtree containing T0136:V 272 (61) jump= -0.507739 0.443285 -0.263016 0.690306 182.436 16.2369 -119.824 # generation 89: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2674 cost/residue, 175 clashes 0.0408337 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 189 ## CrossAndInsert 21 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 333 ## OptSubtree 1294 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 92 # jumping subtree containing T0136:E 245 (34) jump= -0.392767 -0.7968 -0.457469 -0.0395815 129.668 -184.011 -177.057 # jumping subtree containing T0136:F 236 (25) jump= 0.873937 -0.035367 0.151455 -0.460483 116.927 4.68524 3.53584 # jumping subtree containing T0136:E 245 (34) jump= 0.248268 -0.295151 -0.316691 0.866577 -62.0034 -136.469 -61.2206 # jumping subtree containing T0136:E 245 (34) jump= -0.18533 0.902189 -0.367478 -0.129105 -33.4312 -10.7672 -250.022 # jumping subtree containing T0136:F 265 (54) jump= -0.353553 0.18166 -0.789517 0.467614 152.614 -74.2142 -163.319 # jumping subtree containing T0136:G 303 (92) jump= -0.147357 -0.828339 -0.47229 -0.262837 153.718 -124.88 -259.342 # jumping subtree containing T0136:H 227 (16) jump= 0.352182 -0.770723 0.51992 -0.107879 63.6637 56.8261 -231.122 # generation 90: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.2674 cost/residue, 175 clashes 0.0408337 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 334 ## TwoFragment 10 ## CrossOver 197 ## CrossAndInsert 21 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 335 ## OptSubtree 1308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 296 (85) jump= -0.921339 0.0193406 0.134069 0.364398 44.5369 42.0551 -28.5032 # jumping subtree containing T0136:G 303 (92) jump= -0.997997 0.0480549 -0.0148503 0.038376 0.0844707 -3.66562 13.274 # jumping subtree containing T0136:Y 312 (101) jump= 0.701679 -0.376553 -0.565547 0.214502 -80.3186 -26.7939 -162.792 # jumping subtree containing T0136:L 252 (41) jump= 0.155946 -0.605554 0.419213 -0.658214 170.998 -85.9765 -202.38 # jumping subtree containing T0136:E 245 (34) jump= 0.399868 0.241021 0.45326 0.759322 166.128 -7.1199 -22.7089 # jumping subtree containing T0136:E 245 (34) jump= 0.522689 -0.00391154 -0.804482 -0.282118 -38.0467 42.1672 -189.847 # generation 91: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0811 cost/residue, 174 clashes 0.0341414 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 336 ## TwoFragment 10 ## CrossOver 203 ## CrossAndInsert 21 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 338 ## OptSubtree 1325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 312 (101) jump= 0.65144 -0.334001 0.456102 0.506004 58.5142 58.1459 -56.0108 # jumping subtree containing T0136:G 303 (92) jump= 0.939055 -0.336799 -0.026162 -0.063704 15.8999 64.8687 -36.1737 # jumping subtree containing T0136:F 236 (25) jump= -0.843787 -0.471542 -0.0249437 0.255048 0.601817 -110.252 -0.0699081 # jumping subtree containing T0136:G 303 (92) jump= -0.394605 0.336433 -0.736 -0.435205 37.7692 89.7821 -99.2715 # jumping subtree containing T0136:M 228 (17) jump= -0.994657 -0.100576 -0.0213388 -0.00926918 2.15438 -24.439 17.6487 # jumping subtree containing T0136:I 296 (85) jump= 0.72203 0.47425 -0.428178 -0.265376 -110.656 -47.3819 -109.102 # Removing break before 85 # jumping subtree containing T0136:L 252 (41) jump= -0.905098 0.040049 -0.199687 -0.373255 60.1036 -14.9957 -12.8233 # jumping subtree containing T0136:I 296 (85) jump= 0.818928 -0.513885 -0.0374988 0.25273 -53.3291 64.1338 -79.4189 # jumping subtree containing T0136:Y 290 (79) jump= 0.900381 -0.14839 -0.208368 0.351961 -59.0654 4.75596 -29.4998 # generation 92: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0811 cost/residue, 174 clashes 0.0341414 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 337 ## TwoFragment 10 ## CrossOver 206 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 343 ## OptSubtree 1346 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.980069 -0.0446929 0.0654515 -0.182161 35.5425 9.66126 -24.1614 # jumping subtree containing T0136:E 245 (34) jump= -0.626498 -0.223997 -0.511167 -0.54409 139.096 -37.1962 -45.8524 # Removing break before 85 # jumping subtree containing T0136:N 233 (22) jump= 0.505589 -0.845138 0.0574614 -0.163767 33.9015 68.5307 -189.444 # jumping subtree containing T0136:G 303 (92) jump= 0.00508724 0.141639 -0.46882 -0.871849 52.4158 49.9549 -9.01451 # jumping subtree containing T0136:E 245 (34) jump= 0.0830804 0.435496 0.338218 -0.83009 22.8078 -186.564 -49.8418 # jumping subtree containing T0136:N 233 (22) jump= -0.184614 -0.303592 -0.413969 0.838081 35.4743 -169.964 -43.687 # jumping subtree containing T0136:E 245 (34) jump= -0.359229 0.0963209 -0.00613497 0.928245 149.583 -34.6404 2.83146 # Removing break before 85 # jumping subtree containing T0136:L 221 (10) jump= -0.527243 0.427389 0.361586 -0.639225 -70.1478 -96.7807 -91.8518 # generation 93: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0794 cost/residue, 174 clashes 0.0341414 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 337 ## TwoFragment 10 ## CrossOver 208 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 348 ## OptSubtree 1375 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 233 (22) jump= 0.987383 -0.0926587 -0.111823 -0.0631246 -42.1961 40.9811 -21.1263 # jumping subtree containing T0136:E 245 (34) jump= -0.949914 -0.283595 -0.131283 -0.0014897 55.4288 -83.3979 8.85653 # jumping subtree containing T0136:G 303 (92) jump= -0.778063 0.105431 0.272247 -0.556223 -86.9996 -76.3121 -48.0282 # jumping subtree containing T0136:N 233 (22) jump= -0.583463 0.470576 0.616927 0.239856 50.1349 63.4664 -193.766 # jumping subtree containing T0136:G 303 (92) jump= -0.422393 -0.695329 0.148637 -0.562147 73.4766 -163.183 -129.024 # jumping subtree containing T0136:N 233 (22) jump= -0.950854 0.107161 -0.279448 0.0793847 79.8921 16.9822 1.23882 # jumping subtree containing T0136:E 245 (34) jump= -0.00533716 0.434326 -0.535981 -0.723918 -53.6744 40.7671 -51.657 # jumping subtree containing T0136:E 245 (34) jump= -0.954874 -0.103131 -0.265536 -0.0840871 54.9436 -30.8784 22.5271 # jumping subtree containing T0136:N 233 (22) jump= 0.999356 0.010023 0.030464 -0.0160928 14.975 3.28994 0.452298 # generation 94: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0794 cost/residue, 174 clashes 0.0341414 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 337 ## TwoFragment 10 ## CrossOver 208 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 352 ## OptSubtree 1395 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 85 # jumping subtree containing T0136:F 265 (54) jump= 0.880257 0.396237 -0.261022 0.00350751 -55.9924 -59.6866 -43.735 # jumping subtree containing T0136:I 296 (85) jump= -0.703432 -0.217473 0.67507 0.0465723 -89.0164 -20.5189 -122.445 # jumping subtree containing T0136:G 303 (92) jump= 0.678855 0.278753 0.0365766 0.678317 36.8607 -80.5657 -7.48441 # jumping subtree containing T0136:F 265 (54) jump= -0.465183 0.54319 0.169311 -0.678147 -74.022 -85.867 -89.6199 # jumping subtree containing T0136:G 311 (100) jump= 0.132324 0.460575 0.732815 0.483055 167.671 4.02321 -131.419 # generation 95: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0794 cost/residue, 174 clashes 0.0341416 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 337 ## TwoFragment 10 ## CrossOver 210 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 357 ## OptSubtree 1418 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= -0.706874 0.654328 -0.213706 0.16283 54.5108 57.0264 -130.89 # jumping subtree containing T0136:I 296 (85) jump= -0.781142 0.0418685 0.00461406 0.622931 75.8386 -15.987 -13.6005 # jumping subtree containing T0136:D 271 (60) jump= -0.337332 0.863658 -0.118792 -0.355233 -76.8838 -9.50772 -130.849 # jumping subtree containing T0136:D 271 (60) jump= -0.501114 0.238311 -0.260141 -0.790202 10.5868 -1.39521 33.8684 # jumping subtree containing T0136:G 303 (92) jump= 0.534191 -0.0536891 -0.468525 0.7016 -25.5917 -132.276 -101.278 # jumping subtree containing T0136:G 303 (92) jump= -0.246806 0.283525 0.771857 0.512774 52.2829 63.6428 -156.484 # jumping subtree containing T0136:G 303 (92) jump= 0.721447 -0.416113 -0.508006 0.21976 -88.3909 10.6014 -135.032 # jumping subtree containing T0136:I 296 (85) jump= 0.706255 0.0403206 -0.12613 -0.695463 20.9067 1.517 4.0918 # jumping subtree containing T0136:H 227 (16) jump= 0.910706 0.00544992 -0.093653 -0.40226 40.735 47.2266 -14.1508 # generation 96: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0793 cost/residue, 174 clashes 0.0341413 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 337 ## TwoFragment 10 ## CrossOver 212 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 360 ## OptSubtree 1447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.299484 0.89377 -0.235311 0.236883 78.8203 -12.2901 -232.722 # jumping subtree containing T0136:L 252 (41) jump= 0.345745 0.162564 0.687169 0.617926 158.958 -10.2091 -51.9808 # jumping subtree containing T0136:G 303 (92) jump= 0.925817 -0.0660093 0.146233 -0.34223 57.2659 42.7262 1.63083 # jumping subtree containing T0136:D 271 (60) jump= 0.98639 0.0519713 0.117633 0.102449 21.6704 -20.8436 35.4905 # jumping subtree containing T0136:F 265 (54) jump= 0.661154 -0.481606 -0.364015 -0.445447 53.931 48.8182 -108.189 # jumping subtree containing T0136:M 228 (17) jump= 0.245387 -0.626424 -0.735357 -0.0814191 41.8381 -22.0362 -242.46 # jumping subtree containing T0136:G 303 (92) jump= 0.079853 -0.303983 0.054901 -0.947736 160.384 -91.9942 -36.548 # jumping subtree containing T0136:L 252 (41) jump= 0.265705 0.0599692 -0.292082 -0.916784 79.5606 -15.1506 -4.40938 # jumping subtree containing T0136:L 252 (41) jump= -0.987283 -0.0207526 0.105219 0.117347 20.0474 10.3048 -11.9542 # jumping subtree containing T0136:V 272 (61) jump= 0.763462 -0.582126 -0.0759272 0.269239 -51.1552 9.56697 -95.9004 # jumping subtree containing T0136:N 233 (22) jump= -0.190614 0.488739 0.817996 0.235973 98.6547 5.88618 -175.035 # generation 97: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0389 cost/residue, 176 clashes 0.0421728 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 339 ## TwoFragment 10 ## CrossOver 214 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 361 ## OptSubtree 1466 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.981228 0.0579104 -0.0265794 0.182022 28.5092 0.632753 -22.0337 # jumping subtree containing T0136:D 271 (60) jump= -0.688888 -0.0200496 0.662564 -0.293327 -56.7164 -70.6362 -123.923 # jumping subtree containing T0136:D 271 (60) jump= 0.650503 -0.318667 0.377698 -0.576751 121.412 15.2995 -82.0296 # jumping subtree containing T0136:G 303 (92) jump= 0.340177 0.503619 0.61855 -0.498039 66.6937 -153.816 -104.716 # jumping subtree containing T0136:V 272 (61) jump= 0.938997 0.0063271 -0.152618 0.308144 -40.2831 -59.6455 -9.26252 # jumping subtree containing T0136:L 252 (41) jump= 0.525792 0.361475 -0.762896 -0.104254 -38.8592 4.46989 -184.605 # jumping subtree containing T0136:N 233 (22) jump= 0.0873977 -0.715139 -0.582184 -0.376828 122.444 -38.1485 -216.875 # jumping subtree containing T0136:L 252 (41) jump= -0.330358 0.450386 -0.797484 -0.228112 44.5439 76.0163 -126.661 # jumping subtree containing T0136:I 296 (85) jump= 0.00313961 -0.568627 -0.586538 0.576738 -0.571311 -104.309 -135.555 # jumping subtree containing T0136:D 271 (60) jump= -0.649408 0.16709 0.353248 -0.652354 -17.8484 -98.274 -68.5315 # jumping subtree containing T0136:G 303 (92) jump= 0.554389 -0.431298 0.711085 -0.0315052 93.8357 74.2519 -159.737 # generation 98: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0389 cost/residue, 176 clashes 0.0421728 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 339 ## TwoFragment 10 ## CrossOver 219 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 366 ## OptSubtree 1485 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.716877 0.59446 -0.105856 -0.348567 -61.6973 49.9037 -68.8903 # jumping subtree containing T0136:L 252 (41) jump= 0.288445 0.67172 0.675834 0.0940197 126.929 -96.1955 -155.532 # jumping subtree containing T0136:N 233 (22) jump= -0.72553 0.675147 0.131173 -0.0239968 -36.9352 61.2539 -165.973 # jumping subtree containing T0136:L 252 (41) jump= -0.560475 0.81495 0.117824 0.0885484 -5.9979 21.8344 -188.293 # jumping subtree containing T0136:D 271 (60) jump= 0.0620885 0.948214 -0.144562 0.275928 39.8964 -92.9862 -166.734 # jumping subtree containing T0136:M 228 (17) jump= -0.990156 0.0928164 -0.0229969 -0.102214 -3.24125 24.1879 -24.3734 # jumping subtree containing T0136:L 252 (41) jump= 0.74382 -0.2056 -0.571538 0.278935 -95.1091 -43.325 -136.584 # jumping subtree containing T0136:L 252 (41) jump= 0.9865 0.0797806 -0.111829 -0.0891491 -38.7631 -8.20115 -2.06173 # jumping subtree containing T0136:V 211 (0) jump= 0.977951 -0.0258887 -0.13668 -0.155755 1.06563 12.2021 -32.9695 # jumping subtree containing T0136:L 252 (41) jump= -0.28484 -0.169292 0.0875322 0.939438 70.3822 -74.4601 8.06796 # jumping subtree containing T0136:I 296 (85) jump= -0.467169 0.109637 0.867693 -0.129773 -17.7343 -17.5191 -184.002 # jumping subtree containing T0136:V 272 (61) jump= -0.151324 0.455461 -0.716697 0.505966 81.979 -46.7145 -179.222 # generation 99: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0388 cost/residue, 176 clashes 0.0421726 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 339 ## TwoFragment 10 ## CrossOver 223 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 371 ## OptSubtree 1510 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.488445 0.539755 0.287769 0.622314 132.186 55.6501 -126.468 # jumping subtree containing T0136:I 296 (85) jump= 0.722633 -0.237558 -0.355322 0.543244 -32.0218 -64.1292 -52.3368 # jumping subtree containing T0136:I 296 (85) jump= 0.773579 -0.411998 0.122426 0.465667 -25.8273 -7.08879 -45.3932 # jumping subtree containing T0136:G 303 (92) jump= -0.195459 0.382226 0.235186 0.872001 158.999 23.6136 -65.5974 # jumping subtree containing T0136:H 227 (16) jump= -0.0740034 -0.495131 0.288573 -0.816146 140.594 -159.594 -123.456 # jumping subtree containing T0136:P 256 (45) jump= -0.10342 0.610324 0.189632 0.762134 145.522 -52.8231 -107.394 # jumping subtree containing T0136:L 252 (41) jump= -0.284471 0.290533 -0.888136 -0.214199 92.934 49.1324 -152.001 # jumping subtree containing T0136:L 255 (44) jump= -0.233928 -0.312382 0.896599 0.2093 1.85849 11.4222 -175.561 # jumping subtree containing T0136:I 296 (85) jump= 0.794716 -0.335563 -0.0174735 -0.505489 76.6619 39.0705 -47.345 # generation 100: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0388 cost/residue, 176 clashes 0.0421726 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 339 ## TwoFragment 10 ## CrossOver 225 ## CrossAndInsert 21 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 377 ## OptSubtree 1530 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1606688138.pdb -s /projects/compbio/tmp/to_scwrl_1606688138.seq -o /projects/compbio/tmp/from_scwrl_1606688138.pdb -a /projects/compbio/tmp/from_scwrl_1606688138_a.pdb -b /projects/compbio/tmp/from_scwrl_1606688138_b.pdb > /projects/compbio/tmp/scwrl_1606688138.log # T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 64.1144 cost/residue 176 clashes 0.0421726 breaks # iteration 11 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 73.0193 cost/residue, 207 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 22 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 71.5567 cost/residue, 212 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 39 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 71.1253 cost/residue, 246 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 53 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.7885 cost/residue, 172 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 68 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.702 cost/residue, 171 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 86 ## TwoFragment 3 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 69.4975 cost/residue, 173 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 107 ## TwoFragment 3 ## CrossOver 2 ## CrossAndInsert 5 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.8192 cost/residue, 191 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 123 ## TwoFragment 3 ## CrossOver 2 ## CrossAndInsert 6 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.8192 cost/residue, 191 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 143 ## TwoFragment 3 ## CrossOver 3 ## CrossAndInsert 6 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 68.3003 cost/residue, 209 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 158 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 7 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.5034 cost/residue, 213 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 178 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 9 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.5034 cost/residue, 213 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 192 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 10 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 67.5034 cost/residue, 213 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 208 ## TwoFragment 3 ## CrossOver 7 ## CrossAndInsert 10 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.7359 cost/residue, 197 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 54 ## InsertFragment 226 ## TwoFragment 3 ## CrossOver 7 ## CrossAndInsert 11 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.7359 cost/residue, 197 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 242 ## TwoFragment 3 ## CrossOver 8 ## CrossAndInsert 11 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.7122 cost/residue, 232 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 258 ## TwoFragment 3 ## CrossOver 10 ## CrossAndInsert 12 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.2923 cost/residue, 184 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 277 ## TwoFragment 3 ## CrossOver 10 ## CrossAndInsert 14 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.1951 cost/residue, 205 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 294 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 14 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 66.0355 cost/residue, 175 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 309 ## TwoFragment 3 ## CrossOver 16 ## CrossAndInsert 15 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.8817 cost/residue, 190 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 321 ## TwoFragment 3 ## CrossOver 17 ## CrossAndInsert 16 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 65.379 cost/residue, 223 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 19 ## CrossAndInsert 16 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.8166 cost/residue, 205 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 353 ## TwoFragment 4 ## CrossOver 21 ## CrossAndInsert 17 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 4 # generation 22: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.6869 cost/residue, 195 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 370 ## TwoFragment 4 ## CrossOver 24 ## CrossAndInsert 17 ## ReduceClash 50 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 8 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= 0.910698 -0.0488885 0.0153325 -0.409882 -16.5284 -2.89048 -11.9303 # generation 23: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 64.639 cost/residue, 253 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 381 ## TwoFragment 4 ## CrossOver 26 ## CrossAndInsert 19 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 9 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.8375 cost/residue, 174 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 394 ## TwoFragment 4 ## CrossOver 31 ## CrossAndInsert 20 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 11 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # generation 25: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.8375 cost/residue, 174 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 405 ## TwoFragment 4 ## CrossOver 35 ## CrossAndInsert 21 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 12 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.22254 0.947712 0.164499 -0.158925 -15.5358 -0.851373 -4.16258 # jumping subtree containing T0136:L 246 (35) jump= -0.938259 -0.342874 0.043819 0.013701 -0.523238 26.8308 -11.1371 # generation 26: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.8375 cost/residue, 174 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 414 ## TwoFragment 4 ## CrossOver 37 ## CrossAndInsert 21 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 14 ## OptSubtree 44 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.978714 -0.175028 0.0826513 -0.0682158 -10.5777 0.0982478 -23.708 # generation 27: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 63.4218 cost/residue, 174 clashes 0.0101662 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 424 ## TwoFragment 4 ## CrossOver 40 ## CrossAndInsert 27 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 14 ## OptSubtree 48 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 28: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.8235 cost/residue, 193 clashes 0.00387888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 429 ## TwoFragment 4 ## CrossOver 43 ## CrossAndInsert 27 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 18 ## OptSubtree 59 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 37 # Removing break before 37 # generation 29: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.8235 cost/residue, 193 clashes 0.00387888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 440 ## TwoFragment 4 ## CrossOver 46 ## CrossAndInsert 27 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 18 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= -0.873379 0.0347068 -0.102983 0.474761 5.90512 7.10509 -14.7373 # jumping subtree containing T0136:H 235 (24) jump= 0.80852 0.400229 0.424273 -0.0781327 1.03906 -7.23907 -59.0745 # Removing break before 41 # jumping subtree containing T0136:V 211 (0) jump= -0.995634 0.0890873 0.0278472 -0.000477697 24.7392 -16.7426 -5.61113 # generation 30: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.8013 cost/residue, 204 clashes 0.00387887 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 445 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 29 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 22 ## OptSubtree 76 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:E 225 (14) jump= -0.957267 0.0522755 -0.158915 -0.235909 15.7244 -1.40219 -13.0765 # jumping subtree containing T0136:I 284 (73) jump= 0.645812 -0.0114215 -0.735409 -0.204864 -14.2841 -5.0623 16.0276 # generation 31: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.8013 cost/residue, 204 clashes 0.00387886 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 29 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 24 ## OptSubtree 85 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:E 225 (14) jump= 0.934543 -0.324881 -0.138854 -0.0424422 -17.4238 3.15244 -15.4217 # Removing break before 41 # generation 32: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.7211 cost/residue, 172 clashes 0.00387888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 464 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 29 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 26 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 267 (56) jump= -0.713086 -0.183012 -0.409202 -0.539044 -21.1916 50.4464 -17.5981 # Removing break before 41 # generation 33: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.7077 cost/residue, 207 clashes 0.0128922 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 469 ## TwoFragment 4 ## CrossOver 51 ## CrossAndInsert 29 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 29 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 34: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.6184 cost/residue, 208 clashes 0.00387887 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 476 ## TwoFragment 4 ## CrossOver 56 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 31 ## OptSubtree 119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:E 225 (14) jump= 0.375878 -0.126191 -0.0602919 0.916055 -54.2882 44.6399 3.58631 # generation 35: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.4418 cost/residue, 191 clashes 0.00387887 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 58 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 36 ## OptSubtree 134 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.555767 -0.273537 -0.723149 0.305541 7.3572 -24.095 -20.3495 # jumping subtree containing T0136:L 252 (41) jump= -0.165837 -0.174195 0.584925 0.774608 -56.3338 -11.9338 5.04047 # jumping subtree containing T0136:K 288 (77) jump= -0.998427 0.0321267 -0.0429522 0.0163148 1.33702 -27.4886 9.69118 # generation 36: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.4418 cost/residue, 191 clashes 0.00387887 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 480 ## TwoFragment 4 ## CrossOver 61 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 45 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.587381 0.278143 -0.530228 -0.544498 -30.3575 -16.5607 0.652752 # jumping subtree containing T0136:D 291 (80) jump= -0.959043 -0.137721 -0.160892 -0.188102 -16.4265 32.743 -15.5674 # jumping subtree containing T0136:N 269 (58) jump= -0.99292 0.00425348 0.108546 -0.0480514 19.7888 -16.4051 -8.31359 # generation 37: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 62.1757 cost/residue, 212 clashes 0.00387886 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 482 ## TwoFragment 4 ## CrossOver 64 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 52 ## OptSubtree 156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.999383 0.0148047 -0.0313442 -0.00558424 2.12769 13.3378 -8.69469 # Removing break before 41 # jumping subtree containing T0136:T 276 (65) jump= 0.40243 -0.447731 0.325419 0.72917 -14.1066 38.039 -12.9445 # generation 38: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.9784 cost/residue, 213 clashes 0.00387886 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 67 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 55 ## OptSubtree 173 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:P 274 (63) jump= 0.561643 -0.719005 -0.128795 -0.388589 -24.7016 34.9491 24.7002 # jumping subtree containing T0136:L 252 (41) jump= -0.978562 0.136937 0.102838 0.114407 22.4842 2.95199 8.36161 # generation 39: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.9784 cost/residue, 213 clashes 0.00387886 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 487 ## TwoFragment 4 ## CrossOver 68 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 57 ## OptSubtree 194 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 40: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.6167 cost/residue, 213 clashes 0.00946285 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 492 ## TwoFragment 4 ## CrossOver 71 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 67 ## OptSubtree 204 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.165059 0.788203 -0.263011 -0.531335 -2.45696 39.2768 -33.2532 # jumping subtree containing T0136:D 301 (90) jump= -0.983455 0.10017 0.054205 -0.140868 19.2758 -1.91267 13.4713 # jumping subtree containing T0136:S 273 (62) jump= 0.95752 0.066344 -0.222392 -0.171158 -11.8921 -10.7379 11.6826 # jumping subtree containing T0136:G 286 (75) jump= -0.696869 -0.212701 -0.618999 0.29321 -16.0788 -1.09817 -44.8302 # Removing break before 41 # generation 41: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.6167 cost/residue, 213 clashes 0.00946285 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 494 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 72 ## OptSubtree 218 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:R 279 (68) jump= 0.920982 0.158872 0.355584 -0.0105369 0.00498927 -15.761 -35.0672 # jumping subtree containing T0136:L 252 (41) jump= -0.972365 -0.17152 -0.157625 0.0155357 -15.9668 2.7205 -39.4507 # jumping subtree containing T0136:L 252 (41) jump= -0.894264 -0.164414 0.287952 -0.300572 8.1547 46.7809 24.9384 # generation 42: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.6167 cost/residue, 213 clashes 0.00946285 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 495 ## TwoFragment 4 ## CrossOver 75 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 78 ## OptSubtree 238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 225 (14) jump= -0.543058 -0.649749 0.00837453 0.531832 -17.1542 -4.67401 -22.9346 # Removing break moved up 3 to before 36 # generation 43: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.6167 cost/residue, 213 clashes 0.00946275 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 495 ## TwoFragment 4 ## CrossOver 78 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 84 ## OptSubtree 255 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.148614 -0.0910637 -0.882622 -0.436577 -61.6899 30.3246 3.24866 # jumping subtree containing T0136:V 211 (0) jump= -0.416468 -0.35055 0.270666 0.793983 -23.9338 35.492 -3.31673 # jumping subtree containing T0136:V 295 (84) jump= -0.958128 -0.160908 0.115709 -0.206665 20.5684 21.9248 -10.7006 # jumping subtree containing T0136:P 283 (72) jump= -0.867156 0.0292666 0.457157 -0.195426 -17.5128 13.6771 -8.55024 # jumping subtree containing T0136:Y 290 (79) jump= 0.0396755 -0.759429 -0.512953 -0.398211 -22.9965 40.6072 -10.8694 # jumping subtree containing T0136:L 252 (41) jump= -0.836845 -0.262345 -0.425794 0.222634 -51.6544 -4.33822 -38.1667 # jumping subtree containing T0136:L 252 (41) jump= 0.884234 0.0118816 0.460975 -0.0741059 -20.7567 14.9941 -24.2083 # jumping subtree containing T0136:V 211 (0) jump= -0.277248 -0.242988 0.796698 -0.478919 -41.5193 33.3632 52.3251 # Removing break moved up 3 to before 36 # generation 44: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.6166 cost/residue, 213 clashes 0.00946286 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 495 ## TwoFragment 4 ## CrossOver 79 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 87 ## OptSubtree 275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 256 (45) jump= -0.841181 0.00107344 -0.527646 -0.118334 -19.6133 32.7626 -28.5595 # jumping subtree containing T0136:L 252 (41) jump= 0.818838 -0.0206327 0.224867 0.527744 17.686 32.2589 -10.5547 # generation 45: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.484 cost/residue, 209 clashes 0.0206483 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 496 ## TwoFragment 4 ## CrossOver 86 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 92 ## OptSubtree 286 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.950643 -0.18708 -0.10843 0.222535 -3.90313 34.3777 25.6916 # jumping subtree containing T0136:E 225 (14) jump= 0.802921 -0.271172 0.23471 0.476124 14.2035 18.1377 -9.28824 # jumping subtree containing T0136:P 256 (45) jump= 0.813596 0.452677 -0.107638 -0.348652 -52.5001 9.80345 -59.8341 # Removing break before 41 # jumping subtree containing T0136:L 252 (41) jump= 0.695439 -0.572154 -0.0733024 0.428522 -12.5251 109.693 -28.6814 # jumping subtree containing T0136:L 252 (41) jump= -0.656792 -0.508655 -0.459033 0.314933 -75.4757 54.0051 -43.4357 # generation 46: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.484 cost/residue, 209 clashes 0.0206483 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 497 ## TwoFragment 4 ## CrossOver 89 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 98 ## OptSubtree 307 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.10598 0.493649 0.629062 0.591066 -110.326 55.2824 5.30505 # Removing break moved up 3 to before 36 # jumping subtree containing T0136:N 267 (56) jump= 0.0123621 -0.49128 0.80201 -0.339515 -4.86172 -0.905768 15.2492 # generation 47: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.4816 cost/residue, 209 clashes 0.0206483 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 498 ## TwoFragment 4 ## CrossOver 92 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 102 ## OptSubtree 329 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.872709 0.378562 -0.120575 0.283782 -13.2408 -15.5353 18.754 # jumping subtree containing T0136:D 301 (90) jump= 0.382887 -0.52914 0.187186 -0.733737 -43.9363 16.5979 23.3806 # Removing break before 46 # generation 48: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.4816 cost/residue, 209 clashes 0.0206483 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 498 ## TwoFragment 4 ## CrossOver 94 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 110 ## OptSubtree 343 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # Removing break before 46 # jumping subtree containing T0136:Q 257 (46) jump= 0.102565 -0.986448 -0.126742 0.0183727 -30.3047 43.0484 22.2878 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:Q 257 (46) jump= 0.51598 0.200154 -0.526619 0.645271 -13.6615 40.8094 50.5162 # jumping subtree containing T0136:G 286 (75) jump= -0.490816 0.701645 0.512477 0.0645162 -27.4862 52.3841 -8.15042 # jumping subtree containing T0136:Q 257 (46) jump= -0.177508 -0.429098 -0.333646 0.820394 -38.2309 22.5758 -10.4484 # Removing break before 41 # generation 49: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.4816 cost/residue, 209 clashes 0.0206483 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 498 ## TwoFragment 4 ## CrossOver 96 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 115 ## OptSubtree 360 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # jumping subtree containing T0136:Q 257 (46) jump= -0.950289 -0.224632 0.0406914 -0.211746 5.956 -1.73948 -23.4393 # jumping subtree containing T0136:I 281 (70) jump= 0.249918 -0.62783 -0.66071 -0.326854 -44.1892 41.6017 -20.4222 # jumping subtree containing T0136:L 252 (41) jump= 0.532579 -0.698499 0.267098 -0.39638 -37.9735 6.48199 57.6481 # jumping subtree containing T0136:H 227 (16) jump= 0.90936 -0.348333 0.0478973 -0.222339 -3.1956 -34.3848 22.8315 # generation 50: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.463 cost/residue, 207 clashes 0.0206483 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 499 ## TwoFragment 4 ## CrossOver 99 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 122 ## OptSubtree 373 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 257 (46) jump= -0.996586 0.0782989 -0.0220932 -0.0140701 -0.881892 -27.5363 3.10743 # jumping subtree containing T0136:Q 257 (46) jump= 0.260318 -0.491482 -0.515374 -0.651974 -29.9904 14.9685 49.2438 # jumping subtree containing T0136:G 286 (75) jump= -0.946415 -0.208379 0.0276671 0.245175 -9.38213 -30.3053 14.2295 # jumping subtree containing T0136:G 286 (75) jump= -0.713907 -0.349924 -0.0408817 -0.60516 17.5679 42.2637 1.42532 # jumping subtree containing T0136:Q 257 (46) jump= 0.975083 0.17759 0.0641978 0.116422 12.8283 20.7224 9.21457 # generation 51: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.463 cost/residue, 207 clashes 0.0206483 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 499 ## TwoFragment 4 ## CrossOver 102 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 122 ## OptSubtree 394 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= -0.604187 0.425084 -0.672014 -0.051556 -19.7487 -29.1918 -9.59708 # jumping subtree containing T0136:V 211 (0) jump= -0.409254 0.871165 -0.239189 0.127954 18.3924 2.16908 22.4408 # jumping subtree containing T0136:L 252 (41) jump= 0.934477 0.339822 -0.104871 0.0166069 3.87681 14.9238 8.95848 # jumping subtree containing T0136:G 286 (75) jump= 0.657983 0.019961 0.715388 -0.234264 -31.8492 3.71555 -7.56787 # Removing break before 46 # Removing break before 46 # Removing break before 46 # jumping subtree containing T0136:G 286 (75) jump= -0.92945 0.324136 -0.165903 -0.0594558 -13.6913 9.79462 14.295 # generation 52: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.2603 cost/residue, 207 clashes 0.0248828 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 500 ## TwoFragment 4 ## CrossOver 105 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 127 ## OptSubtree 417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # jumping subtree containing T0136:V 211 (0) jump= 0.700845 -0.108738 0.121662 0.694399 14.3699 37.4789 -15.4435 # generation 53: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.258 cost/residue, 207 clashes 0.0248828 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 500 ## TwoFragment 4 ## CrossOver 109 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 133 ## OptSubtree 431 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.95486 -0.159094 -0.201861 0.148942 -36.5431 -6.6584 -28.7707 # jumping subtree containing T0136:L 252 (41) jump= -0.923171 -0.0650508 0.0628062 0.373603 -5.31753 -21.204 -13.9072 # jumping subtree containing T0136:L 252 (41) jump= 0.30622 -0.0465581 -0.909358 -0.277723 -42.0599 -6.73864 18.4783 # jumping subtree containing T0136:V 211 (0) jump= -0.978065 -0.0551871 0.0259889 0.199167 4.12384 -13.8108 -26.8486 # generation 54: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.2579 cost/residue, 207 clashes 0.0248827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 500 ## TwoFragment 4 ## CrossOver 112 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 140 ## OptSubtree 451 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= -0.879531 0.429367 -0.110756 0.172635 4.46284 -29.078 15.0949 # jumping subtree containing T0136:G 286 (75) jump= -0.0243204 -0.617613 -0.445387 0.64776 -43.0943 27.9644 -0.799961 # jumping subtree containing T0136:T 212 (1) jump= -0.270541 0.77178 0.0205298 -0.575102 1.2978 30.8281 33.2652 # Removing break before 46 # jumping subtree containing T0136:K 309 (98) jump= -0.472054 0.194961 0.590575 0.6248 -77.8048 36.3446 -9.87866 # generation 55: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.2579 cost/residue, 207 clashes 0.0248827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 500 ## TwoFragment 4 ## CrossOver 113 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 143 ## OptSubtree 471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.703963 -0.252149 -0.449478 0.4887 -89.0296 -26.6988 -38.1199 # jumping subtree containing T0136:I 296 (85) jump= -0.902924 -0.0260938 0.375229 -0.207969 1.91585 12.9913 26.8328 # jumping subtree containing T0136:G 286 (75) jump= -0.881021 0.264009 0.382533 0.0881521 -35.6742 7.95864 11.3928 # generation 56: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.2579 cost/residue, 207 clashes 0.0248827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 500 ## TwoFragment 4 ## CrossOver 114 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 145 ## OptSubtree 492 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= -0.411116 0.674674 0.363771 0.493427 -44.9908 38.6262 19.8466 # Removing break before 34 # jumping subtree containing T0136:K 309 (98) jump= -0.0740764 0.0457397 -0.424091 -0.901425 -55.7538 86.8818 -46.6863 # jumping subtree containing T0136:L 255 (44) jump= -0.480681 0.590704 -0.105964 -0.639364 5.48355 115.896 -31.1625 # jumping subtree containing T0136:F 254 (43) jump= -0.802434 0.174427 0.0137032 0.570515 -50.1975 -9.60001 17.2756 # jumping subtree containing T0136:G 286 (75) jump= 0.992959 0.0347569 -0.0801379 0.0800173 12.5955 24.1561 -2.7053 # jumping subtree containing T0136:G 286 (75) jump= -0.99989 -0.00191428 0.00313043 0.0143807 -7.98261 -12.7359 5.4381 # generation 57: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.0722 cost/residue, 188 clashes 0.0248826 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 501 ## TwoFragment 4 ## CrossOver 114 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 150 ## OptSubtree 510 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.923553 0.146146 -0.292568 -0.200238 27.3624 -5.56803 -22.2367 # jumping subtree containing T0136:L 252 (41) jump= 0.531223 0.61314 0.269398 0.518927 1.15164 33.1417 2.71326 # jumping subtree containing T0136:L 252 (41) jump= -0.999055 -0.0178439 0.0387584 0.00831744 18.1905 -7.35471 5.58148 # jumping subtree containing T0136:V 211 (0) jump= 0.908117 0.330119 0.257162 0.0145849 -22.0594 26.9815 -41.0525 # jumping subtree containing T0136:K 309 (98) jump= -0.832354 0.220318 -0.503475 -0.0718315 -16.9006 10.7202 -42.3459 # jumping subtree containing T0136:Q 257 (46) jump= -0.352755 -0.170864 -0.114775 -0.912796 -34.8761 143.794 -10.1816 # jumping subtree containing T0136:I 299 (88) jump= -0.353292 0.143292 0.915181 -0.130755 -52.9733 6.99431 -5.65813 # jumping subtree containing T0136:G 286 (75) jump= 0.98533 0.132643 -0.105596 0.0194769 -21.6998 4.43875 -14.6405 # jumping subtree containing T0136:G 286 (75) jump= 0.999936 0.00936115 -0.00454318 -0.00450735 -12.0204 -15.266 -22.3005 # generation 58: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.0722 cost/residue, 188 clashes 0.0248826 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 501 ## TwoFragment 4 ## CrossOver 117 ## CrossAndInsert 30 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 152 ## OptSubtree 529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.880864 -0.0956058 -0.435841 -0.158052 6.99405 15.183 -37.0804 # jumping subtree containing T0136:L 252 (41) jump= 0.452718 0.0337557 -0.306488 0.836644 -46.0867 92.3533 31.8048 # Removing break before 46 # generation 59: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.0722 cost/residue, 188 clashes 0.0248826 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 502 ## TwoFragment 4 ## CrossOver 120 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 157 ## OptSubtree 543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # jumping subtree containing T0136:G 286 (75) jump= 0.887553 -0.410523 0.184104 0.0991285 14.2971 6.44777 -6.30265 # jumping subtree containing T0136:G 286 (75) jump= -0.676393 0.656918 0.229257 -0.241647 2.98583 14.6168 20.3982 # jumping subtree containing T0136:N 270 (59) jump= 0.0978531 -0.392742 -0.91322 0.0469924 -102.366 41.7996 -10.8898 # jumping subtree containing T0136:G 286 (75) jump= 0.348719 -0.177146 0.0439157 -0.919286 -73.7066 -12.073 29.795 # jumping subtree containing T0136:V 211 (0) jump= 0.999446 0.00817775 0.0320952 -0.00334755 -3.50533 19.6447 -19.1613 # jumping subtree containing T0136:G 303 (92) jump= 0.179525 0.93958 -0.278262 0.0867767 8.8359 60.298 -10.9336 # jumping subtree containing T0136:G 286 (75) jump= -0.859295 0.380898 -0.128141 -0.316399 13.4807 0.684034 -17.5752 # jumping subtree containing T0136:G 289 (78) jump= -0.815914 0.0506664 0.352316 -0.455622 -30.8634 45.8021 4.47758 # jumping subtree containing T0136:G 286 (75) jump= -0.632229 -0.596476 0.293655 -0.397831 19.4222 9.13847 18.13 # generation 60: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.0721 cost/residue, 188 clashes 0.0248827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 502 ## TwoFragment 4 ## CrossOver 120 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 164 ## OptSubtree 566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 257 (46) jump= -0.363716 -0.474154 -0.414796 -0.686172 -45.3314 103.472 -13.8794 # jumping subtree containing T0136:G 303 (92) jump= 0.893191 0.154441 0.405885 0.11668 -16.2668 18.7468 -25.0914 # jumping subtree containing T0136:A 226 (15) jump= -0.245819 0.167203 -0.52221 -0.79932 -45.9811 58.5501 -59.6139 # jumping subtree containing T0136:G 286 (75) jump= 0.0988449 0.334597 -0.584468 0.732579 -27.0255 14.8396 16.6299 # jumping subtree containing T0136:G 286 (75) jump= 0.797896 -0.276452 0.0217914 0.535221 -9.11216 24.4907 -1.56283 # jumping subtree containing T0136:Q 257 (46) jump= 0.928099 -0.0214067 -0.0768705 -0.363683 -38.7496 -9.22927 17.4845 # jumping subtree containing T0136:N 270 (59) jump= -0.909995 0.144742 0.337086 0.193214 -8.85855 4.41915 39.9352 # jumping subtree containing T0136:G 286 (75) jump= 0.323727 0.921464 -0.139084 0.163586 20.2431 2.36488 16.3985 # jumping subtree containing T0136:P 283 (72) jump= 0.515769 -0.671322 0.510906 -0.14928 8.66634 24.0013 -35.3827 # generation 61: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.0721 cost/residue, 188 clashes 0.0248826 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 502 ## TwoFragment 4 ## CrossOver 122 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 167 ## OptSubtree 585 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # jumping subtree containing T0136:E 245 (34) jump= -0.721235 0.480095 -0.0450522 -0.497292 18.7353 129.439 -7.67843 # jumping subtree containing T0136:G 303 (92) jump= 0.482417 -0.161688 -0.850668 -0.13227 -56.1126 -0.917299 62.4012 # jumping subtree containing T0136:E 245 (34) jump= -0.350174 0.727612 -0.392426 -0.44041 21.0427 92.2593 -43.0647 # jumping subtree containing T0136:L 252 (41) jump= -0.975126 0.196999 -0.1005 -0.0148287 -6.40375 2.24187 -18.4416 # jumping subtree containing T0136:V 211 (0) jump= 0.696866 0.00750709 -0.254471 -0.670497 -50.647 32.2971 -14.4941 # jumping subtree containing T0136:D 215 (4) jump= 0.295842 0.0405991 0.941601 -0.155621 -54.6094 -4.52716 -31.8055 # generation 62: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.0721 cost/residue, 188 clashes 0.0248826 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 502 ## TwoFragment 4 ## CrossOver 124 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 171 ## OptSubtree 603 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 257 (46) jump= -0.943004 -0.147919 0.27905 -0.104856 -2.5587 -34.4093 -25.1567 # jumping subtree containing T0136:G 303 (92) jump= -0.999428 0.00616339 0.007585 -0.0323787 -12.6897 13.4553 18.9802 # jumping subtree containing T0136:V 266 (55) jump= 0.0204685 -0.608136 0.393913 0.6889 -78.3082 13.4691 -76.3544 # jumping subtree containing T0136:N 270 (59) jump= 0.275889 0.886251 0.352024 -0.120511 -46.4319 62.4712 -20.9216 # jumping subtree containing T0136:Y 290 (79) jump= 0.252972 -0.95468 -0.000263363 -0.156817 3.74174 44.298 -72.8433 # jumping subtree containing T0136:G 286 (75) jump= 0.0586115 0.766571 0.639382 0.0111652 -50.6871 76.3219 -34.6131 # jumping subtree containing T0136:N 270 (59) jump= -0.00518196 0.0819525 -0.949849 0.301735 -70.0743 -2.62523 -24.3395 # jumping subtree containing T0136:G 286 (75) jump= 0.98619 0.127083 0.105649 -0.0108854 -9.12043 13.1533 -5.76043 # jumping subtree containing T0136:K 309 (98) jump= 0.206252 0.134728 -0.882965 0.399603 -62.7139 1.98599 16.0184 # jumping subtree containing T0136:Y 312 (101) jump= 0.24943 0.594262 0.756847 -0.108719 -63.5067 28.983 -75.264 # jumping subtree containing T0136:E 245 (34) jump= -0.595078 0.199737 0.776922 -0.0487702 -88.0705 -0.164915 18.5503 # generation 63: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 61.0721 cost/residue, 188 clashes 0.0248828 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 502 ## TwoFragment 4 ## CrossOver 125 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 172 ## OptSubtree 625 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 245 (34) jump= 0.368182 0.0126332 0.126722 -0.920991 -161.714 98.6581 11.7222 # Removing break before 34 # jumping subtree containing T0136:Y 312 (101) jump= 0.973954 -0.222863 0.0406224 0.00977791 -12.5699 10.3206 -7.39409 # jumping subtree containing T0136:L 278 (67) jump= -0.995005 0.0732186 -0.0163541 0.0658561 -19.5173 14.8177 23.01 # jumping subtree containing T0136:G 286 (75) jump= -0.800494 -0.218895 -0.429055 -0.356659 10.6452 16.8363 -24.6456 # jumping subtree containing T0136:G 303 (92) jump= 0.739052 -0.431725 0.318664 -0.407269 -40.5363 -21.266 61.4022 # jumping subtree containing T0136:G 303 (92) jump= -0.254979 0.0137387 0.753295 0.606088 -103.343 25.0854 -17.6629 # jumping subtree containing T0136:L 252 (41) jump= 0.999138 -0.00661181 -0.0282544 0.0296875 -2.95689 1.29672 5.05551 # generation 64: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9716 cost/residue, 188 clashes 0.0313408 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 503 ## TwoFragment 4 ## CrossOver 126 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 174 ## OptSubtree 645 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= -0.66228 -0.738317 -0.0994755 -0.0798621 -10.1674 33.5183 -33.4367 # jumping subtree containing T0136:G 303 (92) jump= 0.390799 0.808071 0.389272 0.206796 -82.3963 187.723 -105.738 # jumping subtree containing T0136:Q 257 (46) jump= 0.904384 -0.38965 0.0394012 0.169443 5.44527 17.4991 47.3141 # generation 65: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9716 cost/residue, 188 clashes 0.0313408 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 503 ## TwoFragment 4 ## CrossOver 129 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 178 ## OptSubtree 667 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.158129 0.146213 -0.36038 -0.907603 -82.5495 38.2333 -21.6906 # jumping subtree containing T0136:L 252 (41) jump= 0.0905341 -0.180536 -0.978463 0.0426707 -182.606 24.6775 3.83201 # jumping subtree containing T0136:Q 257 (46) jump= -0.42084 -0.100219 0.809121 -0.397709 -51.0967 13.6549 40.8606 # jumping subtree containing T0136:E 307 (96) jump= 0.607815 0.625826 -0.316794 0.372216 63.7633 118.738 -31.8643 # jumping subtree containing T0136:L 251 (40) jump= 0.984959 0.0231361 0.0182429 0.170256 -0.272201 9.41515 -22.3024 # jumping subtree containing T0136:E 307 (96) jump= -0.705703 0.162765 0.151058 0.67281 -182.117 64.5802 12.5802 # jumping subtree containing T0136:Q 257 (46) jump= 0.99428 0.0183702 -0.0851108 0.0618582 0.332031 17.8661 26.2783 # jumping subtree containing T0136:L 252 (41) jump= 0.505343 -0.450032 -0.576982 0.457375 -62.6183 54.4445 52.5432 # jumping subtree containing T0136:K 309 (98) jump= -0.068498 0.0789421 -0.725799 -0.67992 -54.9472 40.1405 -22.0228 # jumping subtree containing T0136:G 286 (75) jump= -0.278844 0.269328 -0.717085 -0.579222 -54.3778 42.1188 -97.3961 # jumping subtree containing T0136:G 286 (75) jump= 0.0672467 0.867186 -0.0375717 -0.491991 -28.9451 36.4946 -46.3318 # generation 66: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9068 cost/residue, 186 clashes 0.0253286 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 504 ## TwoFragment 4 ## CrossOver 132 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 179 ## OptSubtree 692 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.956716 0.0688105 0.0531794 0.277726 -48.5976 3.65226 14.2883 # jumping subtree containing T0136:G 286 (75) jump= 0.986851 -0.0556 -0.0521291 -0.142536 -16.4894 5.42859 2.17841 # jumping subtree containing T0136:L 252 (41) jump= -0.97799 -0.205943 0.00381174 0.0332892 -9.43932 -31.9799 -5.08436 # jumping subtree containing T0136:L 252 (41) jump= 0.618926 -0.495272 0.585141 -0.171016 -5.89797 13.0977 -28.5963 # jumping subtree containing T0136:L 252 (41) jump= -0.8455 0.391452 -0.336791 0.135895 -3.92914 -11.3685 -28.5332 # Removing break before 46 # generation 67: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9068 cost/residue, 186 clashes 0.0253286 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 504 ## TwoFragment 4 ## CrossOver 135 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 184 ## OptSubtree 708 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= -0.309707 -0.855818 0.346891 -0.226546 43.9898 36.3286 -49.358 # jumping subtree containing T0136:K 309 (98) jump= 0.660347 -0.236846 -0.612728 -0.363882 -74.8963 21.4185 -4.16508 # jumping subtree containing T0136:K 309 (98) jump= -0.359702 0.443315 -0.307604 -0.761227 -21.5664 62.195 -61.984 # jumping subtree containing T0136:K 309 (98) jump= 0.770578 0.0506949 0.10643 0.626348 -16.8707 68.7335 10.7063 # generation 68: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9068 cost/residue, 186 clashes 0.0253288 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 504 ## TwoFragment 4 ## CrossOver 136 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 191 ## OptSubtree 731 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= -0.772963 -0.464651 0.431029 0.0290176 -32.1393 -6.8601 -41.2149 # jumping subtree containing T0136:K 309 (98) jump= -0.409413 -0.834343 -0.363229 0.0657071 -10.3541 57.1549 -47.7489 # jumping subtree containing T0136:K 309 (98) jump= 0.859857 0.0360384 0.429557 -0.273547 -24.3983 -0.0817881 -5.47568 # jumping subtree containing T0136:N 270 (59) jump= 0.716831 -0.365492 0.263621 0.532046 -22.0186 72.0537 -61.2353 # jumping subtree containing T0136:L 246 (35) jump= -0.999996 0.00133502 0.00241088 -5.15887e-05 11.7547 -2.25316 -0.388041 # jumping subtree containing T0136:L 252 (41) jump= -0.383377 0.321524 -0.858437 -0.112831 -17.23 5.71692 -68.3781 # jumping subtree containing T0136:L 252 (41) jump= 0.118521 -0.0373818 0.168564 -0.977825 -101.293 33.1669 2.18146 # generation 69: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9068 cost/residue, 186 clashes 0.0253288 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 504 ## TwoFragment 4 ## CrossOver 139 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 194 ## OptSubtree 749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.941059 -0.078702 0.305359 0.12235 3.40879 17.2489 -37.7677 # jumping subtree containing T0136:K 298 (87) jump= 0.977592 -0.119417 0.171387 -0.0260664 5.37358 -1.06174 11.8154 # jumping subtree containing T0136:K 309 (98) jump= 0.426329 0.370421 -0.793707 -0.225965 -44.3404 -38.9684 11.1671 # jumping subtree containing T0136:G 286 (75) jump= 0.972937 0.1336 0.186646 -0.0266076 2.74754 12.9982 -7.94258 # jumping subtree containing T0136:G 286 (75) jump= 0.840262 -0.354611 0.250233 -0.324952 1.35362 -25.3466 -5.59869 # jumping subtree containing T0136:K 309 (98) jump= 0.189313 0.158219 0.114321 -0.962319 -119.629 63.6537 0.875437 # jumping subtree containing T0136:K 309 (98) jump= -0.99299 -0.0982313 -0.0146945 0.0640808 9.11723 -22.7668 -22.8747 # jumping subtree containing T0136:K 309 (98) jump= -0.980721 0.1484 -0.118903 0.0450008 -10.1479 10.5286 -19.9022 # jumping subtree containing T0136:L 252 (41) jump= 0.882857 0.261014 -0.0164857 -0.390082 -39.6607 -33.8099 -2.28615 # generation 70: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9068 cost/residue, 186 clashes 0.0253288 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 504 ## TwoFragment 4 ## CrossOver 141 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 195 ## OptSubtree 770 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.855072 0.067299 -0.513034 -0.0334622 -21.0514 20.7302 -56.509 # jumping subtree containing T0136:V 211 (0) jump= -0.999523 -0.00993804 0.00179451 0.029184 -19.0798 -3.94063 17.8381 # jumping subtree containing T0136:L 252 (41) jump= -0.679229 -0.0298472 0.39142 0.620119 -80.1405 -3.72912 -8.777 # jumping subtree containing T0136:N 270 (59) jump= -0.275834 0.865266 -0.277229 0.313647 7.03052 9.30507 69.0538 # jumping subtree containing T0136:L 255 (44) jump= 0.958586 -0.20578 0.183032 0.0725726 31.0595 -3.38308 -18.9471 # jumping subtree containing T0136:K 309 (98) jump= -0.851655 -0.0163516 0.512177 -0.109959 -45.2737 18.1094 21.1425 # jumping subtree containing T0136:D 215 (4) jump= -0.998395 -0.0526462 -0.0164273 0.0128999 16.9441 8.70491 11.0642 # jumping subtree containing T0136:H 227 (16) jump= -0.998413 -0.00985941 0.0256356 0.0491708 -22.6021 -23.6803 -2.34164 # generation 71: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.9068 cost/residue, 186 clashes 0.0253288 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 504 ## TwoFragment 4 ## CrossOver 144 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 195 ## OptSubtree 792 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= -0.368143 0.278917 -0.592756 0.659785 -124.687 -36.1248 57.3687 # jumping subtree containing T0136:K 309 (98) jump= 0.37918 -0.513108 -0.0767519 0.766193 -42.9099 131.403 -45.6887 # generation 72: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.8978 cost/residue, 188 clashes 0.0265534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 505 ## TwoFragment 4 ## CrossOver 149 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 195 ## OptSubtree 810 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 233 (22) jump= 0.914156 -0.000741102 -0.0429445 0.403081 -0.565458 64.5169 5.02644 # jumping subtree containing T0136:L 246 (35) jump= 0.83369 0.250358 0.292979 0.395532 12.9281 87.2171 -67.8262 # jumping subtree containing T0136:L 255 (44) jump= 0.849968 -0.245395 0.390433 -0.254751 -31.2946 -51.0043 -17.9021 # jumping subtree containing T0136:K 309 (98) jump= -0.286678 0.643785 0.653904 0.275257 -116.322 107.701 50.6035 # jumping subtree containing T0136:K 309 (98) jump= -0.916253 -0.240249 -0.263712 -0.182256 -8.27042 67.3096 -58.2653 # jumping subtree containing T0136:K 309 (98) jump= -0.963928 0.141772 -0.149234 -0.168739 -2.25249 37.6206 -24.0414 # generation 73: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.8978 cost/residue, 188 clashes 0.0265534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 505 ## TwoFragment 4 ## CrossOver 151 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 195 ## OptSubtree 832 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= -0.211922 -0.935399 0.192762 0.207268 -9.91847 34.9298 -26.6005 # jumping subtree containing T0136:N 270 (59) jump= 0.389657 0.00461187 0.122408 0.912777 -103.839 141.172 -11.8952 # jumping subtree containing T0136:V 211 (0) jump= 0.986655 -0.040716 0.1242 0.0970995 -1.21502 2.67718 -9.43032 # jumping subtree containing T0136:Q 257 (46) jump= 0.221228 0.101235 0.876025 0.416401 -121.52 42.3759 -75.6349 # jumping subtree containing T0136:K 309 (98) jump= 0.00453388 -0.203206 0.891113 -0.405715 -132.865 -5.64854 47.9909 # jumping subtree containing T0136:L 255 (44) jump= 0.340319 0.38099 0.503901 -0.6965 -165.572 42.5886 -58.1612 # jumping subtree containing T0136:L 255 (44) jump= -0.539586 0.255782 0.608006 -0.523213 -87.4534 73.581 56.6448 # jumping subtree containing T0136:G 286 (75) jump= 0.0714466 -0.855836 0.485477 0.163559 -7.33743 29.0317 -36.769 # generation 74: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.8703 cost/residue, 188 clashes 0.0265536 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 507 ## TwoFragment 4 ## CrossOver 152 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 200 ## OptSubtree 857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= -0.502541 0.474072 0.400602 -0.601853 -59.2332 131.073 45.1174 # jumping subtree containing T0136:H 227 (16) jump= -0.660874 -0.611924 0.434141 0.0177847 -33.0753 -18.8634 -4.96536 # jumping subtree containing T0136:L 246 (35) jump= 0.649771 0.173213 0.504737 -0.541327 -122.521 -8.70258 -18.6453 # jumping subtree containing T0136:K 309 (98) jump= 0.880157 0.0775647 -0.238091 -0.403262 -61.3836 -19.91 -9.15346 # jumping subtree containing T0136:Q 257 (46) jump= 0.491796 0.122824 0.679041 0.530994 -73.908 88.805 -90.2503 # jumping subtree containing T0136:K 309 (98) jump= 0.987237 -0.106913 0.0565835 -0.103593 -17.6514 -12.4993 -18.938 # jumping subtree containing T0136:K 309 (98) jump= 0.000310211 0.893237 -0.446067 -0.0561429 6.11188 -11.5918 -15.2229 # jumping subtree containing T0136:K 309 (98) jump= 0.990766 -0.0718347 0.031037 -0.110718 -12.0658 -26.2646 -8.0196 # jumping subtree containing T0136:L 252 (41) jump= 0.854479 -0.407249 0.293448 0.133801 18.4608 27.9294 -1.89952 # generation 75: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.8703 cost/residue, 188 clashes 0.0265535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 507 ## TwoFragment 4 ## CrossOver 153 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 206 ## OptSubtree 873 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 222 (11) jump= 0.958804 -0.154596 -0.226457 0.0742428 5.4786 21.4207 48.688 # jumping subtree containing T0136:K 287 (76) jump= 0.507066 0.494852 0.582668 0.398125 -109.532 145.976 -57.7699 # jumping subtree containing T0136:I 281 (70) jump= 0.435864 0.183399 0.858994 -0.196256 -116.96 -6.0908 -64.6148 # jumping subtree containing T0136:L 246 (35) jump= -0.946471 -0.0813639 -0.312331 0.00468336 -24.0749 -9.99541 -31.1099 # jumping subtree containing T0136:L 255 (44) jump= 0.999957 0.00515133 0.00760714 -0.00156313 28.1301 6.7026 -6.01373 # jumping subtree containing T0136:L 246 (35) jump= -0.474799 -0.553988 -0.408079 0.548758 -85.1637 4.70818 -82.5078 # jumping subtree containing T0136:V 211 (0) jump= -0.784994 -0.0689775 0.592758 0.166327 -48.3915 -29.7215 40.2061 # jumping subtree containing T0136:K 309 (98) jump= 0.103292 0.919527 -0.301385 0.230146 -4.68597 63.1051 20.9775 # generation 76: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.8702 cost/residue, 188 clashes 0.0265535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 507 ## TwoFragment 4 ## CrossOver 155 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 213 ## OptSubtree 898 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.132871 -0.493524 -0.800801 0.312246 -183.633 116.512 -10.6891 # jumping subtree containing T0136:K 309 (98) jump= -0.140431 0.136758 -0.978876 0.0581233 -148.707 -20.739 -28.5952 # jumping subtree containing T0136:N 269 (58) jump= 0.993518 0.0313766 -0.0759672 0.0785324 9.23792 6.19071 -0.291093 # jumping subtree containing T0136:L 255 (44) jump= 0.786246 0.214955 0.483462 -0.319181 -68.5607 3.97229 -64.865 # jumping subtree containing T0136:K 309 (98) jump= 0.984675 -0.000601088 -0.0400745 0.169731 16.7669 41.2611 -16.0347 # jumping subtree containing T0136:I 230 (19) jump= -0.217278 -0.247267 0.110893 0.937738 -202.619 64.0382 -38.1919 # jumping subtree containing T0136:L 255 (44) jump= -0.064064 0.1429 -0.522724 0.837994 -122.604 58.9236 71.2734 # generation 77: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.8702 cost/residue, 188 clashes 0.0265536 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 507 ## TwoFragment 4 ## CrossOver 158 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 222 ## OptSubtree 916 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.056457 0.0620346 0.334827 0.938539 -203.36 75.4974 -28.9968 # jumping subtree containing T0136:K 309 (98) jump= -0.92404 -0.373482 0.080251 -0.0148832 -15.8488 6.64785 -15.523 # jumping subtree containing T0136:L 255 (44) jump= 0.794611 -0.582946 -0.0402694 -0.16476 -28.2966 27.3167 100.013 # jumping subtree containing T0136:K 309 (98) jump= -0.93424 0.349416 -0.0315646 -0.0640866 12.6345 47.0539 27.8346 # jumping subtree containing T0136:L 252 (41) jump= 0.992964 -0.0274984 0.0646596 0.0953198 -11.0259 30.4136 -19.2501 # jumping subtree containing T0136:K 287 (76) jump= 0.189047 0.226432 0.130397 0.946565 -119.434 189.731 9.18811 # jumping subtree containing T0136:D 271 (60) jump= -0.999324 0.0296078 0.0185192 0.0114698 -1.04653 0.868376 -20.2798 # jumping subtree containing T0136:I 281 (70) jump= -0.7574 -0.0967812 -0.242786 -0.598359 -2.09291 121.858 -60.2282 # generation 78: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.7318 cost/residue, 189 clashes 0.0360378 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 508 ## TwoFragment 4 ## CrossOver 161 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 223 ## OptSubtree 937 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 256 (45) jump= -0.981057 0.163738 0.101725 0.0192283 8.33085 -9.89652 35.1591 # jumping subtree containing T0136:Q 257 (46) jump= 0.997656 -0.0331282 -0.0448691 -0.0396376 -19.3028 -22.1299 3.95344 # jumping subtree containing T0136:L 255 (44) jump= 0.173392 0.924584 -0.240609 0.239136 0.834949 98.02 11.7413 # jumping subtree containing T0136:K 309 (98) jump= 0.114517 -0.832238 0.369098 -0.397532 -31.2704 86.1783 112.465 # jumping subtree containing T0136:L 246 (35) jump= -0.802734 -0.0495377 0.530284 -0.26826 -90.2074 48.0696 90.8857 # jumping subtree containing T0136:K 287 (76) jump= -0.981093 0.0584836 -0.0624769 -0.17359 14.7811 20.7843 8.89796 # jumping subtree containing T0136:K 309 (98) jump= 0.97066 -0.0449484 0.198846 -0.127508 -30.8939 -32.6326 -53.9653 # jumping subtree containing T0136:K 309 (98) jump= 0.531009 0.495165 0.61242 -0.312701 -142.557 49.2585 -82.9214 # generation 79: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.7318 cost/residue, 189 clashes 0.0360378 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 508 ## TwoFragment 4 ## CrossOver 164 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 227 ## OptSubtree 958 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= 0.540385 0.369018 -0.145226 0.742104 -98.1894 116.235 45.602 # jumping subtree containing T0136:L 255 (44) jump= 0.342164 -0.511537 0.583967 0.529374 -81.0282 5.01691 -133.071 # jumping subtree containing T0136:L 246 (35) jump= -0.854637 0.251823 -0.0858377 -0.445885 35.9664 129.818 10.0673 # jumping subtree containing T0136:K 287 (76) jump= -0.999891 0.00858925 -0.01104 0.00481828 -5.56348 -12.1222 -6.80065 # jumping subtree containing T0136:L 255 (44) jump= 0.837326 0.0403565 -0.25171 0.483631 -23.2518 139.357 58.3802 # jumping subtree containing T0136:G 286 (75) jump= -0.550784 0.215519 0.625204 -0.509224 -115.314 114.781 92.2198 # jumping subtree containing T0136:Q 257 (46) jump= 0.679836 -0.0540232 0.507973 0.526182 -57.7004 119.772 -108.753 # jumping subtree containing T0136:L 252 (41) jump= -0.0260039 0.0340903 -0.309185 -0.950035 -220.527 80.7394 -26.4266 # generation 80: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.6638 cost/residue, 180 clashes 0.0580289 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 509 ## TwoFragment 4 ## CrossOver 168 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 236 ## OptSubtree 978 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 278 (67) jump= 0.688543 -0.436422 0.526581 0.241158 7.85436 38.7637 -37.8887 # jumping subtree containing T0136:K 309 (98) jump= -0.995612 0.0843872 -0.0333326 -0.0228943 2.20582 11.9143 33.9825 # jumping subtree containing T0136:K 287 (76) jump= 0.926189 -0.0136331 0.331458 -0.17923 -57.6212 -46.5375 -49.2767 # jumping subtree containing T0136:L 255 (44) jump= 0.951418 -0.00655291 0.277152 -0.133966 -40.7879 -14.9867 -31.6739 # jumping subtree containing T0136:G 232 (21) jump= -0.739698 -0.311589 -0.409138 -0.434011 -44.9244 131.51 -74.5944 # jumping subtree containing T0136:K 287 (76) jump= -0.719714 -0.346253 0.0412051 -0.600352 29.4698 161.212 -15.1429 # generation 81: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.6637 cost/residue, 180 clashes 0.0580286 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 509 ## TwoFragment 4 ## CrossOver 170 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 239 ## OptSubtree 1003 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= 0.677201 0.245064 0.692661 0.0395247 -123.97 36.3692 -70.1907 # jumping subtree containing T0136:G 232 (21) jump= -0.94341 0.206921 0.146331 -0.213888 24.4163 33.931 76.544 # jumping subtree containing T0136:L 255 (44) jump= 0.56931 0.493303 -0.442354 0.486684 14.1778 86.9227 100.713 # jumping subtree containing T0136:K 287 (76) jump= 0.487741 -0.0290651 -0.87204 -0.0284592 -98.3578 -21.0248 107.605 # generation 82: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.6637 cost/residue, 180 clashes 0.0580291 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 509 ## TwoFragment 4 ## CrossOver 172 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 246 ## OptSubtree 1027 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 257 (46) jump= -0.540949 -0.356197 -0.597355 -0.472931 -101.336 142.675 -75.9662 # jumping subtree containing T0136:D 219 (8) jump= -0.0438799 0.691309 -0.381821 0.611865 -52.6349 120.569 105.014 # jumping subtree containing T0136:L 252 (41) jump= -0.280596 0.520106 -0.34105 0.731055 -156.079 46.0758 116.657 # jumping subtree containing T0136:D 219 (8) jump= 0.931955 0.30177 -0.152511 0.130901 29.416 65.7387 -3.3244 # jumping subtree containing T0136:N 270 (59) jump= -0.886139 -0.274724 0.0727901 -0.366042 13.736 90.8914 -3.14845 # jumping subtree containing T0136:K 309 (98) jump= 0.0680367 0.185144 -0.867881 0.455933 -136.226 14.6009 124.381 # jumping subtree containing T0136:K 309 (98) jump= 0.546242 -0.00225519 0.293992 0.784336 -74.475 165.575 -55.8205 # jumping subtree containing T0136:K 287 (76) jump= -0.0618892 0.404527 0.402545 -0.818831 -118.65 201.35 27.7219 # generation 83: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.6637 cost/residue, 180 clashes 0.0580283 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 509 ## TwoFragment 4 ## CrossOver 175 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 251 ## OptSubtree 1050 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 232 (21) jump= -0.137229 -0.854039 -0.491607 -0.100539 -78.6572 148.881 32.7478 # jumping subtree containing T0136:K 309 (98) jump= -0.99954 0.0130827 0.0268942 0.00505287 14.1286 5.68984 10.7334 # jumping subtree containing T0136:K 309 (98) jump= -0.593652 -0.581684 -0.166119 0.530684 -139.151 63.7496 -99.5103 # jumping subtree containing T0136:L 255 (44) jump= 0.666268 0.331846 -0.447889 0.495338 -5.37937 79.827 81.4999 # jumping subtree containing T0136:V 216 (5) jump= -0.920777 0.389817 0.0111859 0.0092897 0.91075 20.7729 75.5986 # jumping subtree containing T0136:K 309 (98) jump= 0.487438 -0.536241 -0.540732 0.427152 -67.7036 147.758 74.2178 # jumping subtree containing T0136:D 219 (8) jump= -0.934172 0.0769461 0.338888 0.0809766 -38.3482 -11.3496 77.8491 # jumping subtree containing T0136:A 297 (86) jump= 0.656909 0.148548 -0.541484 0.50319 -29.3667 102.65 113.994 # generation 84: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.6637 cost/residue, 180 clashes 0.0580283 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 509 ## TwoFragment 4 ## CrossOver 176 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 255 ## OptSubtree 1070 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.404834 0.738023 -0.41549 0.344673 33.6448 85.2212 46.2805 # jumping subtree containing T0136:D 219 (8) jump= 0.949539 0.170038 0.236909 0.115486 -3.4416 44.197 -75.0168 # jumping subtree containing T0136:V 211 (0) jump= 0.736958 0.014073 0.623046 0.261742 -53.3987 38.0268 -67.2037 # jumping subtree containing T0136:Q 257 (46) jump= -0.817193 -0.236921 0.445921 0.277883 -69.2112 -44.6692 25.4472 # jumping subtree containing T0136:N 270 (59) jump= -0.694959 0.145167 0.248502 -0.658942 -27.9271 162.757 57.0925 # jumping subtree containing T0136:K 309 (98) jump= 0.642838 -0.00777652 0.466661 0.607393 -14.5605 127.963 -102.75 # jumping subtree containing T0136:V 211 (0) jump= 0.800833 0.456536 -0.373224 0.104623 40.5889 18.1974 -12.8068 # jumping subtree containing T0136:L 252 (41) jump= -0.957824 -0.151377 -0.166306 -0.178889 16.3035 54.0531 -40.7752 # jumping subtree containing T0136:L 252 (41) jump= -0.913273 -0.122632 -0.0770365 0.380735 -85.7684 -5.04427 -29.7398 # generation 85: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.5377 cost/residue, 188 clashes 0.0490793 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 510 ## TwoFragment 4 ## CrossOver 180 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 257 ## OptSubtree 1086 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= 0.524893 -0.792427 0.0346409 -0.308784 -54.2281 75.6656 139.854 # jumping subtree containing T0136:K 309 (98) jump= 0.584905 -0.366077 0.716368 -0.103396 -62.4008 -12.0884 -11.3967 # jumping subtree containing T0136:G 232 (21) jump= 0.393461 -0.195376 -0.897846 -0.0298056 -155.409 21.7911 74.6495 # jumping subtree containing T0136:L 255 (44) jump= 0.120658 0.0935762 -0.413399 -0.897656 -164.667 108.539 -85.1225 # jumping subtree containing T0136:V 211 (0) jump= 0.999678 -0.020167 -0.0088467 0.0125978 -12.7799 -2.14328 -4.77482 # jumping subtree containing T0136:G 286 (75) jump= 0.0697611 -0.330193 0.897036 -0.285363 -78.4322 -12.789 97.5901 # jumping subtree containing T0136:G 232 (21) jump= 0.753314 0.375382 -0.479338 0.248678 -2.83063 33.8257 75.3945 # jumping subtree containing T0136:L 246 (35) jump= 0.304279 0.612136 0.677232 0.272141 -146.309 140.433 -104.562 # jumping subtree containing T0136:L 252 (41) jump= -0.642453 0.751229 0.0345598 -0.147357 -9.84351 121.495 93.9865 # generation 86: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.5377 cost/residue, 188 clashes 0.0490793 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 510 ## TwoFragment 4 ## CrossOver 185 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 260 ## OptSubtree 1104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 246 (35) jump= -0.952301 -0.246073 -0.174389 0.0464782 -17.6199 1.94663 -82.3247 # jumping subtree containing T0136:K 287 (76) jump= 0.968905 -0.172552 -0.0331444 -0.174212 -28.6656 -15.5287 46.5949 # jumping subtree containing T0136:V 216 (5) jump= -0.996798 -0.0676845 0.035047 0.0241616 13.9212 -17.6227 -20.839 # jumping subtree containing T0136:K 309 (98) jump= -0.0133152 -0.880977 0.378958 -0.283009 51.2687 98.4286 61.8501 # jumping subtree containing T0136:L 252 (41) jump= -0.663595 -0.620527 -0.296199 -0.294711 -30.7761 129.817 -58.4022 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:G 232 (21) jump= -0.263901 -0.378503 0.887163 -0.00575356 -82.978 -7.23682 43.8858 # generation 87: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.4982 cost/residue, 188 clashes 0.0480744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 510 ## TwoFragment 4 ## CrossOver 188 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 264 ## OptSubtree 1129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 232 (21) jump= 0.831328 0.457222 -0.177416 -0.261468 -54.7519 -13.6086 -52.3657 # jumping subtree containing T0136:L 255 (44) jump= -0.257817 -0.740732 0.61869 0.0454937 32.4453 62.0527 -42.8092 # jumping subtree containing T0136:N 270 (59) jump= -0.975717 -0.0202931 0.177841 -0.126245 8.50914 -3.13593 22.0877 # jumping subtree containing T0136:G 232 (21) jump= 0.879547 -0.391255 -0.152297 0.223881 18.3575 56.5258 56.425 # jumping subtree containing T0136:G 232 (21) jump= 0.842513 0.155453 -0.452994 0.246581 -15.115 44.4571 74.2018 # generation 88: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.4982 cost/residue, 188 clashes 0.0480744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 510 ## TwoFragment 4 ## CrossOver 190 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 266 ## OptSubtree 1148 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.93832 0.332231 0.0406942 -0.086737 -5.07549 -11.4104 -58.9535 # jumping subtree containing T0136:L 246 (35) jump= 0.628187 -0.190741 0.0628519 -0.751697 -143.834 15.201 48.5442 # jumping subtree containing T0136:V 211 (0) jump= 0.830049 0.235568 0.0768286 -0.499624 -128.851 -18.6497 -46.0754 # jumping subtree containing T0136:L 255 (44) jump= 0.797222 -0.150912 -0.5349 0.235679 -28.0893 50.7792 110.872 # jumping subtree containing T0136:D 219 (8) jump= 0.722341 -0.22442 -0.616653 0.218173 -70.0143 60.813 100.282 # jumping subtree containing T0136:K 309 (98) jump= 0.0404517 0.919749 0.342426 0.187539 -75.4194 224.614 27.047 # generation 89: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.4328 cost/residue, 188 clashes 0.0449076 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 512 ## TwoFragment 4 ## CrossOver 191 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 272 ## OptSubtree 1172 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 232 (21) jump= -0.545793 -0.0537461 -0.781743 0.296815 -130.46 28.5326 -31.5316 # jumping subtree containing T0136:K 287 (76) jump= -0.770894 -0.32953 0.533143 -0.113544 12.6965 3.3844 21.4975 # jumping subtree containing T0136:G 232 (21) jump= -0.685389 0.0471436 -0.59312 0.419795 -106.791 -9.2728 13.7557 # jumping subtree containing T0136:K 287 (76) jump= -0.93471 0.244201 -0.0765546 -0.246623 33.8849 68.4889 13.1945 # jumping subtree containing T0136:G 232 (21) jump= -0.025048 -0.749083 0.413373 -0.517078 -15.1278 92.9631 96.6001 # jumping subtree containing T0136:L 255 (44) jump= 0.115156 0.958608 0.102845 0.239235 -43.5466 198.106 29.2513 # jumping subtree containing T0136:G 232 (21) jump= 0.336048 0.104884 0.187345 0.917046 -62.9895 196.082 -42.5781 # jumping subtree containing T0136:K 287 (76) jump= -0.902632 0.158725 -0.186862 0.353759 -54.6674 -31.7649 3.2085 # generation 90: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.4328 cost/residue, 188 clashes 0.0449075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 512 ## TwoFragment 4 ## CrossOver 192 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 283 ## OptSubtree 1195 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.999093 0.0389106 -0.00562067 -0.016357 -21.3771 -5.49711 -22.1592 # jumping subtree containing T0136:G 232 (21) jump= -0.998545 0.0303557 -0.00743744 -0.0439537 13.9488 -0.595462 10.4483 # jumping subtree containing T0136:A 297 (86) jump= -0.573172 0.790766 -0.208813 -0.0506027 32.6084 90.915 48.681 # jumping subtree containing T0136:L 255 (44) jump= 0.595071 -0.171061 -0.506416 0.600143 -36.8789 137.527 103.643 # generation 91: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.4191 cost/residue, 188 clashes 0.0449075 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 512 ## TwoFragment 4 ## CrossOver 195 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 292 ## OptSubtree 1216 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= -0.513522 0.0219 0.853676 -0.0839808 -101.436 4.14598 76.558 # jumping subtree containing T0136:G 232 (21) jump= 0.375987 0.910709 0.0879258 -0.146673 -17.063 138.472 -56.4825 # jumping subtree containing T0136:G 232 (21) jump= 0.970987 -0.000661849 0.234475 -0.0469613 -55.5077 -21.5457 -47.7593 # jumping subtree containing T0136:G 232 (21) jump= -0.810574 -0.533436 0.237672 0.0439024 9.24776 31.0593 -24.0546 # jumping subtree containing T0136:G 232 (21) jump= -0.912443 -0.109933 -0.0347008 0.39263 -109.555 -20.0827 -21.9032 # jumping subtree containing T0136:K 287 (76) jump= 0.0247858 0.0792316 0.464628 0.881606 -146.793 137.416 -41.3617 # jumping subtree containing T0136:K 309 (98) jump= 0.498723 -0.472609 -0.479937 -0.545505 -190.818 75.0003 98.778 # jumping subtree containing T0136:K 287 (76) jump= 0.971827 -0.172392 -0.0905797 0.132772 7.24015 14.1455 36.1438 # Removing break before 76 # jumping subtree containing T0136:G 232 (21) jump= -0.0973725 -0.865136 0.0120221 0.491848 -6.5805 157.457 -43.4013 # jumping subtree containing T0136:G 232 (21) jump= -0.940973 0.0328954 0.0995913 -0.321822 35.8149 89.269 9.26623 # jumping subtree containing T0136:V 211 (0) jump= 0.378278 0.85027 -0.0433141 0.363414 3.51388 189.201 12.5575 # generation 92: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.4005 cost/residue, 188 clashes 0.0449076 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 199 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 295 ## OptSubtree 1236 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.195559 0.486124 -0.0484045 0.850351 -136.451 163.375 90.7044 # jumping subtree containing T0136:G 232 (21) jump= 0.713276 -0.1314 -0.637682 -0.259485 -110.267 13.002 47.7876 # jumping subtree containing T0136:G 232 (21) jump= -0.859918 0.277806 0.346205 0.252006 -67.6428 -12.8735 74.0592 # jumping subtree containing T0136:D 219 (8) jump= -0.98478 -0.034294 0.170162 0.00875268 -15.004 -19.5005 -5.08325 # jumping subtree containing T0136:L 255 (44) jump= -0.393728 0.426206 -0.750082 -0.317338 -6.1534 4.35245 -78.1488 # jumping subtree containing T0136:Q 257 (46) jump= -0.794336 0.0351638 0.488801 0.358982 -132.717 -31.6313 27.2167 # jumping subtree containing T0136:L 252 (41) jump= 0.936832 -0.218708 0.138427 0.235268 23.2353 39.0939 -3.19682 # jumping subtree containing T0136:K 309 (98) jump= -0.310641 0.901922 -0.0774828 -0.289887 27.9847 179.742 -20.9229 # jumping subtree containing T0136:G 232 (21) jump= 0.794177 -0.0296573 -0.238706 0.558053 31.5362 128.692 33.5758 # jumping subtree containing T0136:G 232 (21) jump= -0.034301 -0.602609 0.727525 -0.326179 0.643584 17.1535 95.0555 # jumping subtree containing T0136:G 232 (21) jump= 0.381807 0.517172 -0.617659 -0.45305 -38.7165 8.77532 -52.214 # jumping subtree containing T0136:K 309 (98) jump= -0.855337 -0.47974 -0.172256 0.0926092 -57.7826 28.0748 -116.934 # jumping subtree containing T0136:K 309 (98) jump= 0.40797 -0.623047 0.447915 0.494717 9.62511 115.838 -105.933 # jumping subtree containing T0136:L 255 (44) jump= -0.113434 -0.359938 0.924933 0.0455724 -89.3812 -24.0681 65.4638 # jumping subtree containing T0136:K 309 (98) jump= 0.986054 -0.0604457 -0.0947136 -0.122771 -49.0267 -23.8828 12.4154 # generation 93: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.4005 cost/residue, 188 clashes 0.0449077 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 202 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 300 ## OptSubtree 1260 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= -0.234875 -0.47948 -0.66389 -0.523625 -121.927 193.276 -133.409 # jumping subtree containing T0136:G 232 (21) jump= 0.99998 -0.00180703 0.00144179 -0.00597025 -1.12605 5.42877 -23.3637 # jumping subtree containing T0136:A 297 (86) jump= 0.00643359 -0.846212 -0.362543 0.390445 -126.064 187.361 -38.9967 # jumping subtree containing T0136:D 219 (8) jump= 0.686325 -0.301398 -0.0457902 -0.660318 -170.891 31.654 77.3252 # Removing break before 76 # jumping subtree containing T0136:A 297 (86) jump= 0.967649 -0.229516 0.0218451 -0.102469 -33.1751 3.07701 34.1141 # jumping subtree containing T0136:L 246 (35) jump= -0.861308 -0.204322 0.0215165 -0.464691 42.4094 91.1744 -11.0959 # jumping subtree containing T0136:G 232 (21) jump= -0.946912 0.311416 -0.0789652 0.0118901 17.8742 7.87427 26.5235 # jumping subtree containing T0136:V 211 (0) jump= -0.941751 0.118169 -0.0377615 -0.312593 35.9629 62.2071 9.61739 # Removing break moved up 3 to before 38 # generation 94: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.3868 cost/residue, 188 clashes 0.0449073 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 206 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 311 ## OptSubtree 1277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= 0.768193 -0.258125 -0.274965 0.517345 5.83106 147.13 46.2186 # jumping subtree containing T0136:D 219 (8) jump= -0.967436 -0.107906 -0.157674 0.166018 -18.8975 -12.3309 -55.8489 # jumping subtree containing T0136:G 232 (21) jump= -0.415424 -0.176447 -0.880931 0.142303 -146.833 36.0151 -46.5628 # jumping subtree containing T0136:K 309 (98) jump= -0.514022 -0.723386 -0.207077 -0.411841 -3.76529 159.54 -72.0135 # jumping subtree containing T0136:N 270 (59) jump= 0.780617 0.330006 0.471273 0.244203 -27.0764 98.5268 -140.879 # jumping subtree containing T0136:D 271 (60) jump= -0.556513 -0.479211 -0.377981 0.56372 -160.06 47.9799 -114.256 # jumping subtree containing T0136:K 287 (76) jump= -0.899139 -0.104949 -0.424322 -0.0220277 -35.0081 35.5581 -68.2896 # jumping subtree containing T0136:K 309 (98) jump= 0.638401 0.637678 -0.00477374 -0.431033 -90.8239 69.786 -151.251 # generation 95: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.3868 cost/residue, 188 clashes 0.0449074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 207 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 318 ## OptSubtree 1300 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= 0.322872 -0.436618 -0.424087 0.724754 -171.687 153.917 20.2798 # jumping subtree containing T0136:Q 257 (46) jump= 0.601149 -0.780206 -0.167389 -0.0433428 -53.4 126.636 74.6599 # jumping subtree containing T0136:K 287 (76) jump= 0.89267 0.0785679 -0.321626 0.305818 -13.5031 75.1079 69.9673 # jumping subtree containing T0136:K 309 (98) jump= -0.531263 -0.474091 -0.316756 -0.626628 -10.8606 179.332 -82.2464 # jumping subtree containing T0136:K 309 (98) jump= -0.129448 -0.674028 0.725544 0.0501497 8.94803 -0.765469 -10.0671 # jumping subtree containing T0136:K 309 (98) jump= -0.999776 -0.00989339 0.00817167 -0.0168275 2.813 1.01761 -2.3382 # generation 96: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.3868 cost/residue, 188 clashes 0.0449074 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 212 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 322 ## OptSubtree 1323 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 287 (76) jump= -0.212407 -0.0779666 -0.858666 0.459889 -164.484 37.5404 53.6122 # jumping subtree containing T0136:K 287 (76) jump= -0.965757 0.241949 -0.0783659 -0.0513138 -8.38028 8.18139 7.12525 # jumping subtree containing T0136:L 246 (35) jump= 0.999983 -0.00470398 0.00270942 -0.00231006 0.801943 19.414 -6.55143 # jumping subtree containing T0136:V 216 (5) jump= 0.917356 -0.227612 0.0791306 0.316843 8.10902 66.1243 -8.20238 # jumping subtree containing T0136:Q 257 (46) jump= 0.959012 -0.0578277 -0.152955 -0.231424 -58.7125 -49.0041 34.9489 # jumping subtree containing T0136:K 309 (98) jump= -0.0251523 -0.928073 0.370376 0.0295003 24.3944 54.4673 -72.5369 # jumping subtree containing T0136:Q 257 (46) jump= -0.157683 -0.830942 -0.0998725 0.524115 -72.625 167.221 -107.174 # generation 97: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.3868 cost/residue, 188 clashes 0.0449072 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 215 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 324 ## OptSubtree 1347 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 232 (21) jump= 0.121849 -0.26373 -0.821756 -0.490221 -231.245 91.4117 -8.74947 # jumping subtree containing T0136:K 309 (98) jump= 0.977983 0.199988 -0.0229494 0.0550283 -9.29194 13.7412 -16.6666 # jumping subtree containing T0136:K 309 (98) jump= 0.410837 0.439128 0.184841 -0.777311 -230.096 23.0729 -119.822 # jumping subtree containing T0136:K 287 (76) jump= -0.65402 0.361392 0.366006 0.554701 -156.934 -12.0036 85.4969 # jumping subtree containing T0136:Q 257 (46) jump= -0.942534 0.00320072 -0.25174 -0.219652 27.476 44.1712 -51.7633 # jumping subtree containing T0136:V 211 (0) jump= 0.27154 0.495085 0.824591 0.0347421 -163.445 123.2 -77.5879 # jumping subtree containing T0136:K 309 (98) jump= -0.494369 -0.741235 0.168071 0.421808 -48.6501 42.1607 -151.556 # jumping subtree containing T0136:Q 257 (46) jump= 0.998919 -0.033735 -0.0303448 0.0100764 9.59182 13.3203 24.8451 # generation 98: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.3868 cost/residue, 188 clashes 0.0449072 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 218 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 326 ## OptSubtree 1366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 270 (59) jump= 0.266776 0.500269 0.666193 -0.484509 -182.17 91.7407 -42.0091 # jumping subtree containing T0136:E 261 (50) jump= 0.663232 0.425888 -0.0084971 -0.615362 -120.48 55.1711 -115.465 # jumping subtree containing T0136:K 309 (98) jump= 0.616843 -0.466939 0.15961 0.613186 13.9248 144.667 -25.0555 # jumping subtree containing T0136:K 309 (98) jump= 0.861714 -0.213171 0.407975 0.213456 23.7042 37.7692 -51.0525 # jumping subtree containing T0136:L 246 (35) jump= 0.180551 0.33384 0.794019 0.474854 -167.652 115.346 -26.6595 # jumping subtree containing T0136:G 232 (21) jump= -0.992192 0.111158 0.0548218 0.0138831 -7.6986 -5.28882 4.92294 # jumping subtree containing T0136:K 309 (98) jump= 0.63409 0.134814 0.657083 0.384704 -77.2973 87.5527 -112.204 # Removing break before 86 # jumping subtree containing T0136:A 297 (86) jump= 0.067143 0.640861 -0.740514 -0.19086 -80.6815 -26.1286 -70.7576 # jumping subtree containing T0136:K 309 (98) jump= -0.00975814 0.790169 -0.502933 0.350136 4.24514 88.4258 81.3139 # Removing break before 76 # generation 99: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.3867 cost/residue, 188 clashes 0.0449072 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 513 ## TwoFragment 4 ## CrossOver 221 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 328 ## OptSubtree 1389 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= 0.918063 0.109568 -0.316485 -0.212115 -36.5149 -13.5898 17.0095 # jumping subtree containing T0136:G 232 (21) jump= 0.674122 -0.162619 -0.352946 0.628127 -35.1832 195.198 87.4715 # jumping subtree containing T0136:K 309 (98) jump= -0.927766 0.120801 -0.335523 -0.109919 24.6685 18.1599 -31.4351 # jumping subtree containing T0136:D 291 (80) jump= -0.527468 0.466836 -0.64804 -0.289631 4.05391 58.8476 -79.9924 # jumping subtree containing T0136:K 309 (98) jump= -0.220281 0.587806 0.670332 -0.395747 -147.278 163.492 80.3744 # jumping subtree containing T0136:G 232 (21) jump= 0.806425 0.123077 0.483438 0.31752 3.02077 72.4805 -118.582 # jumping subtree containing T0136:V 216 (5) jump= 0.0454252 -0.434449 -0.824638 -0.359392 -190.29 122.144 6.66576 # jumping subtree containing T0136:L 255 (44) jump= 0.86412 0.416437 -0.277574 0.0531928 -12.7163 0.00912428 -19.8692 # generation 100: best score out of 40: T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA 60.305 cost/residue, 207 clashes 0.0449072 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 68 ## InsertFragment 514 ## TwoFragment 4 ## CrossOver 226 ## CrossAndInsert 30 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 329 ## OptSubtree 1406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1238872349.pdb -s /projects/compbio/tmp/to_scwrl_1238872349.seq -o /projects/compbio/tmp/from_scwrl_1238872349.pdb -a /projects/compbio/tmp/from_scwrl_1238872349_a.pdb -b /projects/compbio/tmp/from_scwrl_1238872349_b.pdb > /projects/compbio/tmp/scwrl_1238872349.log # T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA-scwrl 60.6239 cost/residue 207 clashes 0.0449072 breaks # iteration 12 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10 73.1724 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 20 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 0 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10 72.6441 cost/residue, 124 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 32 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10 71.0802 cost/residue, 168 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 19 ## InsertFragment 49 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10 71.0645 cost/residue, 186 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 70 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10 69.9128 cost/residue, 176 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 87 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 14 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10 69.5752 cost/residue, 170 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 103 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 20 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10 68.58 cost/residue, 146 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 122 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10 68.016 cost/residue, 140 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 137 ## TwoFragment 8 ## CrossOver 1 ## CrossAndInsert 23 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10 67.8637 cost/residue, 180 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 157 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 24 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10 67.0883 cost/residue, 233 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 169 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 26 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 9 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10 67.054 cost/residue, 226 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 184 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 28 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 12 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10 66.5145 cost/residue, 202 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 204 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 30 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 12 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # generation 13: best score out of 40: T0136.try1-al10 66.4851 cost/residue, 179 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 221 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 31 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 15 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al10 66.2851 cost/residue, 204 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 235 ## TwoFragment 9 ## CrossOver 1 ## CrossAndInsert 33 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 20 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al10 66.1951 cost/residue, 184 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 250 ## TwoFragment 9 ## CrossOver 2 ## CrossAndInsert 35 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 22 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 16: best score out of 40: T0136.try1-al10 66.1455 cost/residue, 184 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 265 ## TwoFragment 9 ## CrossOver 2 ## CrossAndInsert 35 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 25 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 17: best score out of 40: T0136.try1-al10 66.1455 cost/residue, 184 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 279 ## TwoFragment 9 ## CrossOver 3 ## CrossAndInsert 38 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 28 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 18: best score out of 40: T0136.try1-al10 66.1455 cost/residue, 184 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 292 ## TwoFragment 9 ## CrossOver 3 ## CrossAndInsert 38 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 32 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al10 65.9538 cost/residue, 189 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 307 ## TwoFragment 9 ## CrossOver 4 ## CrossAndInsert 39 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 34 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 278 (67) jump= -0.790985 0.588155 -0.112794 0.125276 -3.20441 -0.0125847 -18.5081 # generation 20: best score out of 40: T0136.try1-al10 65.9538 cost/residue, 189 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 319 ## TwoFragment 9 ## CrossOver 4 ## CrossAndInsert 40 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 39 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 67 # jumping subtree containing T0136:V 211 (0) jump= -0.71525 0.43726 -0.367595 0.402611 25.4558 19.418 -6.51665 # generation 21: best score out of 40: T0136.try1-al10 65.6961 cost/residue, 207 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 328 ## TwoFragment 9 ## CrossOver 5 ## CrossAndInsert 40 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 44 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 67 # generation 22: best score out of 40: T0136.try1-al10 65.4835 cost/residue, 211 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 336 ## TwoFragment 9 ## CrossOver 6 ## CrossAndInsert 40 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 55 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.9649 -0.225014 0.0654975 0.118519 23.3638 1.39138 8.67429 # generation 23: best score out of 40: T0136.try1-al10 65.4822 cost/residue, 211 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 342 ## TwoFragment 10 ## CrossOver 6 ## CrossAndInsert 40 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 66 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 67 # generation 24: best score out of 40: T0136.try1-al10 65.4466 cost/residue, 189 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 346 ## TwoFragment 10 ## CrossOver 6 ## CrossAndInsert 41 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 78 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 25: best score out of 40: T0136.try1-al10 65.3867 cost/residue, 219 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 351 ## TwoFragment 11 ## CrossOver 7 ## CrossAndInsert 42 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 89 ## OptSubtree 37 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 26: best score out of 40: T0136.try1-al10 65.1353 cost/residue, 207 clashes 0.0177824 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 355 ## TwoFragment 11 ## CrossOver 7 ## CrossAndInsert 42 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 103 ## OptSubtree 42 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 18 # Removing break before 67 # generation 27: best score out of 40: T0136.try1-al10 64.9428 cost/residue, 199 clashes 0.0177824 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 362 ## TwoFragment 11 ## CrossOver 8 ## CrossAndInsert 42 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 117 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # Removing break before 42 # Removing break before 60 # generation 28: best score out of 40: T0136.try1-al10 64.9428 cost/residue, 199 clashes 0.0177825 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 367 ## TwoFragment 11 ## CrossOver 8 ## CrossAndInsert 43 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 132 ## OptSubtree 52 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:V 211 (0) jump= 0.0684635 -0.6105 -0.199278 0.763473 -34.3894 -12.23 -26.0603 # generation 29: best score out of 40: T0136.try1-al10 64.8995 cost/residue, 200 clashes 0.0144766 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 371 ## TwoFragment 11 ## CrossOver 8 ## CrossAndInsert 43 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 145 ## OptSubtree 58 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 303 (92) jump= -0.23675 -0.569272 0.323805 -0.717656 30.8037 -40.2713 -39.5883 # Removing break before 52 # Removing break before 42 # Removing break before 42 # generation 30: best score out of 40: T0136.try1-al10 64.6239 cost/residue, 213 clashes 0.0131448 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 374 ## TwoFragment 11 ## CrossOver 8 ## CrossAndInsert 43 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 160 ## OptSubtree 68 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:V 211 (0) jump= 0.903228 -0.262253 -0.339459 0.0130807 -26.3383 15.1909 -30.942 # generation 31: best score out of 40: T0136.try1-al10 64.6239 cost/residue, 213 clashes 0.0131448 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 375 ## TwoFragment 11 ## CrossOver 8 ## CrossAndInsert 44 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 175 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # generation 32: best score out of 40: T0136.try1-al10 64.4902 cost/residue, 214 clashes 0.0318404 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 379 ## TwoFragment 11 ## CrossOver 9 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 194 ## OptSubtree 79 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 263 (52) jump= 0.585545 -0.324201 0.589947 -0.451657 83.7586 -2.65496 -41.0864 # generation 33: best score out of 40: T0136.try1-al10 64.4851 cost/residue, 208 clashes 0.0131448 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 381 ## TwoFragment 11 ## CrossOver 9 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 211 ## OptSubtree 84 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 266 (55) jump= -0.819728 -0.0606817 0.563926 -0.0796992 -12.9597 -16.8365 -12.4037 # jumping subtree containing T0136:V 211 (0) jump= -0.502901 -0.712014 0.150591 -0.466314 24.3177 -84.2996 -62.303 # generation 34: best score out of 40: T0136.try1-al10 64.4851 cost/residue, 208 clashes 0.0131448 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 382 ## TwoFragment 11 ## CrossOver 9 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 228 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:R 293 (82) jump= 0.0356087 0.750142 0.509034 0.420599 90.6031 8.64314 -143.295 # jumping subtree containing T0136:V 282 (71) jump= 0.862751 -0.428267 -0.258393 -0.0740308 -11.9118 10.9496 -45.3192 # Removing break before 42 # generation 35: best score out of 40: T0136.try1-al10 64.4554 cost/residue, 227 clashes 0.0318403 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 384 ## TwoFragment 11 ## CrossOver 9 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 245 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 300 (89) jump= -0.756831 -0.376837 -0.398435 0.355598 38.7944 -26.232 14.5279 # jumping subtree containing T0136:A 263 (52) jump= 0.998218 -0.0484098 -0.0312183 -0.0155509 4.71864 -9.07834 -23.6831 # Removing break before 37 # generation 36: best score out of 40: T0136.try1-al10 64.4554 cost/residue, 227 clashes 0.0318404 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 384 ## TwoFragment 11 ## CrossOver 9 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 263 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # generation 37: best score out of 40: T0136.try1-al10 64.4033 cost/residue, 226 clashes 0.0362482 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 385 ## TwoFragment 11 ## CrossOver 9 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 285 ## OptSubtree 116 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.994853 0.0890406 0.0153894 -0.0458473 -4.59525 -32.2503 6.14603 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:V 211 (0) jump= 0.95262 0.26239 -0.0716205 0.13615 -12.558 -28.5549 -39.8036 # jumping subtree containing T0136:V 211 (0) jump= -0.900052 -0.205864 0.203167 0.32596 -34.9752 -2.7914 -19.0945 # generation 38: best score out of 40: T0136.try1-al10 64.4033 cost/residue, 226 clashes 0.0362482 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 387 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 301 ## OptSubtree 127 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.45233 -0.762441 0.195114 0.419538 -30.0854 4.68149 -72.848 # Removing break before 42 # Removing break before 37 # Removing break before 42 # jumping subtree containing T0136:E 225 (14) jump= 0.328002 -0.883596 -0.126369 0.30936 -25.2916 23.0585 -101.594 # Removing break before 42 # generation 39: best score out of 40: T0136.try1-al10 64.3338 cost/residue, 215 clashes 0.0362481 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 388 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 322 ## OptSubtree 135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:S 253 (42) jump= 0.752887 -0.541377 0.168997 0.333934 6.89339 84.0125 -31.7397 # generation 40: best score out of 40: T0136.try1-al10 64.3338 cost/residue, 215 clashes 0.0362481 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 391 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 337 ## OptSubtree 146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # generation 41: best score out of 40: T0136.try1-al10 64.3197 cost/residue, 214 clashes 0.0362482 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 394 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 354 ## OptSubtree 152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 42: best score out of 40: T0136.try1-al10 64.0873 cost/residue, 213 clashes 0.0298385 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 396 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 379 ## OptSubtree 155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.941505 -0.33218 0.0225383 0.0521228 -11.4592 62.1519 -6.00704 # jumping subtree containing T0136:Y 305 (94) jump= 0.10415 -0.5033 0.8319 0.209249 87.1988 80.8559 -90.5679 # Removing break before 37 # jumping subtree containing T0136:S 253 (42) jump= -0.994176 -0.0939781 0.0429897 -0.0305522 -6.65806 -3.42169 17.0498 # generation 43: best score out of 40: T0136.try1-al10 64.0873 cost/residue, 213 clashes 0.0298386 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 397 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 399 ## OptSubtree 165 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 37 # Removing break before 37 # jumping subtree containing T0136:A 248 (37) jump= -0.983619 0.0997125 0.0210181 0.148695 23.256 26.6007 -9.849 # Removing break before 37 # generation 44: best score out of 40: T0136.try1-al10 64.0683 cost/residue, 221 clashes 0.0563991 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 398 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 421 ## OptSubtree 173 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:I 296 (85) jump= -0.720315 -0.684703 -0.109958 -0.0153961 -3.24852 -55.6217 -64.3149 # generation 45: best score out of 40: T0136.try1-al10 64.068 cost/residue, 221 clashes 0.0563991 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 399 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 437 ## OptSubtree 180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.978469 -0.198678 0.00415084 0.0557472 0.170876 -55.7587 -23.7083 # Removing break before 42 # jumping subtree containing T0136:S 253 (42) jump= 0.213656 0.290879 0.197427 0.911462 55.2872 12.5366 -19.9643 # Removing break before 42 # generation 46: best score out of 40: T0136.try1-al10 64.068 cost/residue, 221 clashes 0.0563991 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 399 ## TwoFragment 11 ## CrossOver 10 ## CrossAndInsert 44 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 463 ## OptSubtree 187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 16 # generation 47: best score out of 40: T0136.try1-al10 64.0438 cost/residue, 220 clashes 0.056464 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 399 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 44 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 478 ## OptSubtree 198 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.0727346 -0.682782 0.0464529 -0.725507 67.3131 40.0062 -89.7189 # Removing break before 42 # jumping subtree containing T0136:H 227 (16) jump= 0.679592 -0.587685 -0.438131 -0.0286789 -31.9329 25.9088 -33.1298 # jumping subtree containing T0136:S 253 (42) jump= -0.0902449 -0.712834 -0.627344 0.300271 -31.3278 4.36833 -60.975 # generation 48: best score out of 40: T0136.try1-al10 64.0156 cost/residue, 225 clashes 0.0477428 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 400 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 44 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 489 ## OptSubtree 210 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.448739 0.637948 -0.625272 -0.0262815 21.1224 38.9715 -40.4345 # Removing break before 42 # generation 49: best score out of 40: T0136.try1-al10 64.0156 cost/residue, 225 clashes 0.0477428 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 400 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 44 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 509 ## OptSubtree 222 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:H 227 (16) jump= 0.309805 0.636318 -0.212122 -0.673887 -99.4373 -14.4301 -67.6584 # jumping subtree containing T0136:H 227 (16) jump= -0.903455 -0.334528 -0.174197 -0.203752 18.6391 -49.7364 -6.1788 # jumping subtree containing T0136:Y 312 (101) jump= 0.294142 -0.229814 -0.452108 -0.810102 -4.42991 65.2621 -19.3533 # jumping subtree containing T0136:S 253 (42) jump= -0.992899 -0.05054 -0.10357 -0.0294943 0.801766 19.3203 4.10301 # jumping subtree containing T0136:V 282 (71) jump= 0.506008 -0.405009 0.720507 -0.246565 44.5641 10.5619 13.1468 # generation 50: best score out of 40: T0136.try1-al10 64.0156 cost/residue, 225 clashes 0.0477423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 400 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 44 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 528 ## OptSubtree 234 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # Removing break before 16 # Removing break before 42 # jumping subtree containing T0136:P 256 (45) jump= 0.275956 0.6016 -0.739572 -0.122302 -28.806 -13.7286 -136.162 # generation 51: best score out of 40: T0136.try1-al10 64.0155 cost/residue, 225 clashes 0.0477426 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 400 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 44 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 541 ## OptSubtree 249 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.198517 0.399208 -0.36504 -0.817294 -44.7443 57.9685 -73.3337 # jumping subtree containing T0136:H 227 (16) jump= 0.969824 0.0373586 -0.188728 -0.149759 -45.9933 14.5615 -7.65317 # jumping subtree containing T0136:H 227 (16) jump= -0.18625 -0.908885 -0.1261 -0.351195 39.7212 1.5501 -135.675 # jumping subtree containing T0136:H 227 (16) jump= -0.923971 -0.128977 -0.0652105 0.354105 3.96453 -22.5302 -26.1973 # Removing break before 16 # generation 52: best score out of 40: T0136.try1-al10 64.0155 cost/residue, 225 clashes 0.0477426 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 401 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 44 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 554 ## OptSubtree 259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.987717 -0.031345 -0.0362274 0.148731 -13.9332 -17.725 7.71374 # Removing break before 42 # jumping subtree containing T0136:A 248 (37) jump= 0.161662 -0.170918 -0.388945 0.890716 -27.5154 -61.2903 -7.87653 # jumping subtree containing T0136:A 248 (37) jump= 0.947998 -0.30215 -0.0426497 -0.0904782 -8.73532 23.8242 -6.80601 # Removing break before 16 # generation 53: best score out of 40: T0136.try1-al10 63.9954 cost/residue, 225 clashes 0.0477426 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 402 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 570 ## OptSubtree 265 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.303176 0.474381 -0.577627 0.591097 23.2617 12.3785 -3.82819 # jumping subtree containing T0136:H 227 (16) jump= 0.638367 0.592347 -0.212684 0.443145 57.0515 -49.4288 -66.8927 # Removing break before 42 # jumping subtree containing T0136:D 285 (74) jump= 0.998502 -0.053085 -0.00671972 -0.0114274 -13.3746 -10.271 -6.04857 # Removing break before 37 # jumping subtree containing T0136:S 253 (42) jump= 0.538251 -0.447998 -0.144217 -0.699132 62.4764 82.6991 -42.7841 # jumping subtree containing T0136:I 281 (70) jump= 0.189598 -0.834927 -0.444295 0.263725 -51.9342 17.5677 -96.9924 # generation 54: best score out of 40: T0136.try1-al10 63.9954 cost/residue, 225 clashes 0.0477426 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 402 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 581 ## OptSubtree 278 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 276 (65) jump= -0.462748 -0.273384 -0.826196 0.168892 33.9735 0.0586586 -30.935 # jumping subtree containing T0136:S 253 (42) jump= 0.3568 -0.459699 0.706862 0.402141 -3.31583 68.5645 -115.448 # jumping subtree containing T0136:S 253 (42) jump= 0.100373 -0.172176 -0.494253 -0.846165 -3.82616 22.3417 -38.7259 # jumping subtree containing T0136:T 276 (65) jump= -0.972675 -0.04408 0.169791 0.152091 -6.62788 -10.9403 11.6293 # jumping subtree containing T0136:D 285 (74) jump= 0.495966 0.582842 0.642993 0.0295315 62.1831 -58.0299 -157.745 # generation 55: best score out of 40: T0136.try1-al10 63.9954 cost/residue, 225 clashes 0.0477428 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 402 ## TwoFragment 11 ## CrossOver 12 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 607 ## OptSubtree 284 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # Removing break before 16 # Removing break before 16 # jumping subtree containing T0136:S 273 (62) jump= -0.615455 0.227714 0.497816 0.567045 -74.3574 84.3899 -74.5949 # jumping subtree containing T0136:L 252 (41) jump= -0.425644 -0.201988 0.793459 -0.385292 10.3778 -61.0852 -92.603 # Removing break before 16 # generation 56: best score out of 40: T0136.try1-al10 63.864 cost/residue, 225 clashes 0.0654647 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 404 ## TwoFragment 11 ## CrossOver 12 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 625 ## OptSubtree 291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # jumping subtree containing T0136:T 260 (49) jump= -0.195277 -0.765168 0.430514 0.437084 -19.1794 68.7026 -141.158 # jumping subtree containing T0136:S 253 (42) jump= 0.534043 -0.26689 0.380875 0.706047 42.1465 85.4351 -41.9078 # jumping subtree containing T0136:A 248 (37) jump= -0.988901 0.056207 0.105142 -0.0886649 -15.7698 24.9411 -17.3481 # jumping subtree containing T0136:A 248 (37) jump= -0.24178 -0.743503 -0.0628432 0.620319 -92.85 -29.5482 -87.8897 # jumping subtree containing T0136:A 248 (37) jump= -0.450671 0.513957 -0.729893 -0.000171068 88.0881 55.9807 -75.3989 # generation 57: best score out of 40: T0136.try1-al10 63.7507 cost/residue, 224 clashes 0.0422412 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 405 ## TwoFragment 11 ## CrossOver 13 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 646 ## OptSubtree 298 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.766867 -0.497549 -0.401531 -0.0559757 -91.3417 105.718 -7.26781 # Removing break before 42 # jumping subtree containing T0136:I 247 (36) jump= 0.899753 -0.115437 -0.327942 0.263768 -84.0146 11.8609 -21.6059 # jumping subtree containing T0136:H 227 (16) jump= 0.724386 0.594226 -0.340703 -0.0779858 -64.0066 -60.8054 -114.49 # Removing break before 49 # generation 58: best score out of 40: T0136.try1-al10 63.7507 cost/residue, 224 clashes 0.0422411 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 406 ## TwoFragment 11 ## CrossOver 13 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 669 ## OptSubtree 305 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 306 (95) jump= -0.812174 0.0553551 -0.131033 0.565808 15.0016 47.6199 -2.58603 # jumping subtree containing T0136:V 292 (81) jump= 0.562102 -0.307263 0.38951 0.661749 30.0906 152.762 -51.0655 # jumping subtree containing T0136:Y 290 (79) jump= -0.764293 0.459607 -0.1856 -0.412517 54.7753 110.007 -32.9077 # Removing break before 16 # jumping subtree containing T0136:F 265 (54) jump= 0.996858 0.0221731 0.0746907 0.0143013 40.3162 0.101049 9.70134 # generation 59: best score out of 40: T0136.try1-al10 63.6835 cost/residue, 225 clashes 0.0518371 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 407 ## TwoFragment 11 ## CrossOver 13 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 690 ## OptSubtree 314 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 292 (81) jump= -0.707044 0.0427245 -0.705721 -0.0148787 75.0483 -9.12917 -154.518 # Removing break before 16 # jumping subtree containing T0136:D 301 (90) jump= -0.989279 0.0405281 0.132191 -0.04701 -17.3421 18.7747 -25.1513 # generation 60: best score out of 40: T0136.try1-al10 63.6358 cost/residue, 223 clashes 0.0530683 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 408 ## TwoFragment 11 ## CrossOver 13 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 706 ## OptSubtree 324 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:T 260 (49) jump= 0.634618 0.229908 0.505058 -0.537884 14.544 -91.3978 -39.4292 # jumping subtree containing T0136:S 253 (42) jump= 0.485928 -0.125786 0.859396 0.0974146 73.0857 5.63582 -142.404 # jumping subtree containing T0136:Y 312 (101) jump= -0.0433619 -0.231491 -0.322829 -0.916686 109.152 123.304 -82.7793 # generation 61: best score out of 40: T0136.try1-al10 63.6357 cost/residue, 223 clashes 0.0530679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 408 ## TwoFragment 11 ## CrossOver 14 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 734 ## OptSubtree 329 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 280 (69) jump= 0.58057 0.79557 0.0545851 -0.164403 -39.014 -101.284 -183.772 # generation 62: best score out of 40: T0136.try1-al10 63.6357 cost/residue, 223 clashes 0.0530679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 408 ## TwoFragment 11 ## CrossOver 14 ## CrossAndInsert 45 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 758 ## OptSubtree 334 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 101 # Removing break before 101 # Removing break before 37 # generation 63: best score out of 40: T0136.try1-al10 63.6356 cost/residue, 223 clashes 0.0530673 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 408 ## TwoFragment 11 ## CrossOver 14 ## CrossAndInsert 46 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 774 ## OptSubtree 341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 312 (101) jump= -0.999983 -0.00107953 -0.00432821 0.00365631 1.62649 18.1093 -22.3739 # Removing break before 41 # jumping subtree containing T0136:H 227 (16) jump= -0.762492 0.17047 0.255365 -0.569503 -41.9897 3.96117 -0.873141 # jumping subtree containing T0136:L 252 (41) jump= 0.902827 -0.416734 -0.0594527 0.0877579 -38.2724 126.664 -33.6401 # generation 64: best score out of 40: T0136.try1-al10 63.6356 cost/residue, 223 clashes 0.0530673 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 408 ## TwoFragment 11 ## CrossOver 15 ## CrossAndInsert 46 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 788 ## OptSubtree 350 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:W 302 (91) jump= -0.208474 0.758271 -0.584295 0.200405 179.405 138.378 -264.767 # jumping subtree containing T0136:A 248 (37) jump= 0.584216 -0.0177691 0.00796331 -0.811365 10.2081 102.24 -13.6671 # jumping subtree containing T0136:A 248 (37) jump= 0.769605 0.162245 -0.0443213 -0.615971 -9.34584 34.5104 -2.58082 # jumping subtree containing T0136:Y 312 (101) jump= 0.88114 0.277186 -0.357444 -0.137815 -107.943 -23.4064 -150.06 # jumping subtree containing T0136:A 224 (13) jump= -0.972208 -0.0831477 -0.197303 0.0947091 41.0828 -36.5102 -34.6708 # generation 65: best score out of 40: T0136.try1-al10 63.6356 cost/residue, 223 clashes 0.0530673 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 408 ## TwoFragment 11 ## CrossOver 15 ## CrossAndInsert 46 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 803 ## OptSubtree 359 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 312 (101) jump= -0.313851 0.220253 -0.92299 0.0327974 206.419 25.5192 -260.85 # jumping subtree containing T0136:W 302 (91) jump= -0.117196 -0.574968 0.563095 -0.581894 219.812 -21.4666 -270.502 # generation 66: best score out of 40: T0136.try1-al10 63.6356 cost/residue, 223 clashes 0.0530671 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 409 ## TwoFragment 11 ## CrossOver 15 ## CrossAndInsert 46 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 815 ## OptSubtree 370 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 312 (101) jump= -0.978548 0.178018 -0.0916606 0.0484868 48.5977 89.7479 6.74885 # Removing break before 101 # generation 67: best score out of 40: T0136.try1-al10 63.6239 cost/residue, 229 clashes 0.0530665 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 409 ## TwoFragment 11 ## CrossOver 16 ## CrossAndInsert 47 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 828 ## OptSubtree 379 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.996342 0.0030535 0.0710676 -0.0473531 11.6021 -7.35397 2.04204 # jumping subtree containing T0136:A 248 (37) jump= -0.995311 -0.0421265 -0.0324702 -0.0807941 39.3841 -43.3388 -2.89772 # jumping subtree containing T0136:Y 312 (101) jump= 0.840465 -0.518416 -0.122726 0.099004 -36.121 129.461 -64.0258 # jumping subtree containing T0136:V 211 (0) jump= 0.985492 0.10592 0.129147 0.0301104 21.1675 -28.8737 5.44471 # Removing break before 101 # generation 68: best score out of 40: T0136.try1-al10 63.6239 cost/residue, 229 clashes 0.0530671 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 409 ## TwoFragment 11 ## CrossOver 16 ## CrossAndInsert 47 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 843 ## OptSubtree 388 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:A 248 (37) jump= -0.831047 0.042388 0.552806 -0.0443749 -163.981 -14.1325 -131.252 # generation 69: best score out of 40: T0136.try1-al10 63.6239 cost/residue, 229 clashes 0.0530669 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 409 ## TwoFragment 11 ## CrossOver 17 ## CrossAndInsert 47 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 866 ## OptSubtree 394 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 312 (101) jump= 0.945046 -0.283765 -0.116744 -0.112858 -14.0524 124.899 -26.9155 # jumping subtree containing T0136:V 211 (0) jump= 0.0196857 -0.653984 -0.601684 0.458141 -86.0279 -74.353 -207.387 # Removing break before 101 # generation 70: best score out of 40: T0136.try1-al10 63.6239 cost/residue, 229 clashes 0.0530664 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 409 ## TwoFragment 11 ## CrossOver 17 ## CrossAndInsert 47 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 882 ## OptSubtree 402 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 224 (13) jump= -0.114245 -0.452735 0.796733 -0.38366 77.0036 -93.3815 -232.18 # jumping subtree containing T0136:L 252 (41) jump= 0.996149 0.0133507 0.0420111 -0.0757932 6.05762 -12.3594 -19.1218 # jumping subtree containing T0136:D 304 (93) jump= 0.955659 0.129794 -0.25035 -0.0848232 -92.5435 -13.091 -70.4251 # jumping subtree containing T0136:Y 312 (101) jump= -0.344228 0.0511125 0.468956 -0.811773 29.8537 -137.917 -79.9532 # jumping subtree containing T0136:L 252 (41) jump= -0.844535 0.332402 0.408097 0.0986234 -80.2575 103.78 -155.109 # Removing break before 41 # jumping subtree containing T0136:V 237 (26) jump= 0.0800139 -0.547398 0.643532 -0.528979 199.281 -3.47565 -213.05 # jumping subtree containing T0136:S 231 (20) jump= 0.598471 -0.544852 -0.393182 0.436321 -99.6319 68.1764 -96.7722 # Removing break before 37 # generation 71: best score out of 40: T0136.try1-al10 63.3564 cost/residue, 207 clashes 0.0530673 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 412 ## TwoFragment 11 ## CrossOver 18 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 892 ## OptSubtree 411 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= 0.919118 -0.280549 0.258637 -0.0980883 99.8298 106.101 -28.0204 # jumping subtree containing T0136:H 227 (16) jump= -0.834334 0.445891 0.324069 0.00689482 -82.2015 121.582 -100.141 # jumping subtree containing T0136:Y 312 (101) jump= -0.990411 0.0836036 -0.0993927 -0.0470954 35.1931 6.44895 1.80233 # jumping subtree containing T0136:Y 312 (101) jump= -0.886035 -0.110145 -0.415835 -0.172889 152.578 -21.3764 -32.7637 # generation 72: best score out of 40: T0136.try1-al10 63.3563 cost/residue, 207 clashes 0.0530675 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 413 ## TwoFragment 11 ## CrossOver 18 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 915 ## OptSubtree 422 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.907303 -0.197953 -0.0394773 0.368861 -32.0035 -41.3808 -18.3825 # generation 73: best score out of 40: T0136.try1-al10 63.2478 cost/residue, 227 clashes 0.0793865 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 19 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 940 ## OptSubtree 428 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 101 # jumping subtree containing T0136:A 224 (13) jump= 0.849743 -0.202685 -0.354138 -0.33383 -86.7132 146.565 -94.6434 # jumping subtree containing T0136:H 227 (16) jump= 0.131124 -0.675686 0.724493 -0.0369414 141.04 126.641 -325.41 # Removing break before 41 # jumping subtree containing T0136:Y 312 (101) jump= 0.798485 -0.550461 0.0984172 -0.222998 62.5699 182.588 -47.3324 # jumping subtree containing T0136:H 227 (16) jump= -0.664911 0.645374 -0.368242 -0.076045 116.912 187.211 -109.502 # jumping subtree containing T0136:A 248 (37) jump= 0.45611 -0.478617 0.447577 -0.602134 136.115 63.1367 -60.9875 # jumping subtree containing T0136:V 237 (26) jump= 0.337743 -0.363171 -0.587088 -0.639816 42.6171 225.999 -201.774 # jumping subtree containing T0136:Y 305 (94) jump= -0.279954 -0.256153 0.868424 0.319141 -80.3093 127.424 -349.566 # generation 74: best score out of 40: T0136.try1-al10 63.2477 cost/residue, 227 clashes 0.0793863 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 20 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 961 ## OptSubtree 436 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.537218 -0.0545321 -0.796168 -0.273019 -121.513 113.569 -271.721 # Removing break before 41 # jumping subtree containing T0136:E 277 (66) jump= 0.121303 0.760972 -0.563777 0.297258 122.085 0.821186 -299.411 # jumping subtree containing T0136:V 211 (0) jump= 0.54599 0.240787 -0.619925 -0.509519 -115.531 113.925 -225.988 # jumping subtree containing T0136:Y 312 (101) jump= 0.212149 0.2684 0.936152 0.0810801 134.162 6.38272 -318.144 # generation 75: best score out of 40: T0136.try1-al10 63.2476 cost/residue, 227 clashes 0.0793864 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 20 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 986 ## OptSubtree 447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # jumping subtree containing T0136:V 211 (0) jump= 0.782362 0.150987 -0.227462 -0.559798 -143.976 88.8646 -91.6232 # jumping subtree containing T0136:K 298 (87) jump= -0.898168 0.0390871 0.216722 0.380524 -56.4876 101.628 -54.5553 # jumping subtree containing T0136:V 237 (26) jump= 0.521326 0.5891 0.512674 -0.344015 17.6467 -156.751 -162.59 # jumping subtree containing T0136:L 252 (41) jump= -0.998054 0.0560772 -0.0158285 -0.0221954 29.4181 28.8137 24.3754 # jumping subtree containing T0136:Y 312 (101) jump= 0.999619 0.0198693 -0.0189685 -0.00259377 -9.77061 -24.1919 -4.78008 # jumping subtree containing T0136:A 224 (13) jump= 0.99531 -0.0437475 -0.0576898 0.0641608 -19.3164 29.8622 -8.77752 # generation 76: best score out of 40: T0136.try1-al10 63.2476 cost/residue, 227 clashes 0.0793864 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 20 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 998 ## OptSubtree 459 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # jumping subtree containing T0136:H 227 (16) jump= -0.995732 -0.0506561 0.0483585 -0.0601144 8.52442 -6.07675 0.9431 # jumping subtree containing T0136:A 248 (37) jump= -0.947309 0.257685 -0.138734 -0.130219 64.5113 95.3947 12.758 # generation 77: best score out of 40: T0136.try1-al10 63.2468 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1017 ## OptSubtree 463 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 281 (70) jump= -0.8013 0.261951 0.190818 -0.502881 -27.0847 17.1869 -7.45548 # jumping subtree containing T0136:A 248 (37) jump= 0.577744 -0.22113 -0.359484 -0.69863 37.6865 187.916 -108.99 # jumping subtree containing T0136:L 252 (41) jump= -0.867337 -0.226224 -0.147763 0.41799 -19.7253 -66.8481 -27.7627 # jumping subtree containing T0136:V 237 (26) jump= -0.771536 -0.421989 0.369923 0.29969 -146.754 -16.9727 -177.315 # jumping subtree containing T0136:A 248 (37) jump= -0.91527 0.158665 -0.341194 -0.143848 108.401 75.3841 -7.77853 # jumping subtree containing T0136:A 224 (13) jump= -0.993131 0.0860087 0.0785176 0.0113498 -54.8763 45.7775 6.71138 # jumping subtree containing T0136:H 227 (16) jump= 0.621966 0.255417 0.0453091 -0.738829 -100.39 46.3822 -7.98941 # generation 78: best score out of 40: T0136.try1-al10 63.2467 cost/residue, 227 clashes 0.0793865 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1034 ## OptSubtree 470 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= -0.313098 -0.845983 -0.190656 -0.387212 129.176 12.1024 -312.861 # jumping subtree containing T0136:E 261 (50) jump= -0.424593 -0.59287 -0.12474 0.672804 -140.139 -26.9273 -125.711 # jumping subtree containing T0136:Y 312 (101) jump= -0.516236 0.162944 0.171879 -0.823048 -29.22 54.0795 19.5293 # Removing break before 26 # Removing break before 26 # jumping subtree containing T0136:H 227 (16) jump= 0.505942 0.477271 -0.546381 -0.466586 -53.688 132.916 -208.581 # jumping subtree containing T0136:N 270 (59) jump= -0.70673 0.317461 -0.34479 -0.529973 82.6996 123.995 -38.7 # jumping subtree containing T0136:L 252 (41) jump= -0.663982 0.0449037 0.48737 -0.565316 -30.3693 -81.8021 -55.5866 # generation 79: best score out of 40: T0136.try1-al10 63.2466 cost/residue, 227 clashes 0.0793864 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1059 ## OptSubtree 482 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.970855 -0.201892 -0.0322639 0.12506 26.6672 53.525 31.4073 # Removing break before 26 # Removing break before 101 # generation 80: best score out of 40: T0136.try1-al10 63.2466 cost/residue, 227 clashes 0.0793864 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1076 ## OptSubtree 489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # jumping subtree containing T0136:R 293 (82) jump= -5.76499e-05 0.353219 0.048166 -0.9343 -53.6858 149.823 -25.2493 # jumping subtree containing T0136:I 281 (70) jump= -0.997296 -0.00126016 -0.0543977 -0.049397 31.396 -7.63232 -16.8659 # Removing break before 26 # jumping subtree containing T0136:H 227 (16) jump= 0.651113 -0.250222 -0.362328 0.61819 -61.0061 67.2219 10.2483 # jumping subtree containing T0136:Y 290 (79) jump= -0.922143 0.365493 0.125638 -0.0167766 -44.2267 129.548 2.95448 # jumping subtree containing T0136:V 211 (0) jump= 0.8441 -0.533586 0.0127438 0.0511788 -3.77452 201.318 -30.7508 # generation 81: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1091 ## OptSubtree 498 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.921822 -0.184852 -0.228746 0.252485 -52.3108 12.0044 -4.11532 # jumping subtree containing T0136:V 211 (0) jump= 0.609616 -0.574404 0.545127 -0.0355603 187.939 199.236 -106.241 # jumping subtree containing T0136:Y 290 (79) jump= 0.624467 0.650621 -0.230082 0.365781 101.073 -105.137 -208.202 # jumping subtree containing T0136:A 224 (13) jump= -0.0145645 0.0407786 0.197813 0.979283 60.3107 125.27 -11.1532 # jumping subtree containing T0136:Y 290 (79) jump= -0.561199 0.0760602 -0.0853964 -0.819743 97.2114 86.9556 -6.72371 # jumping subtree containing T0136:R 293 (82) jump= -0.907912 0.0780928 0.277423 -0.304359 -69.2298 -8.84645 -6.07753 # generation 82: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1106 ## OptSubtree 507 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.487424 0.176597 -0.651622 -0.553734 -236.947 155.45 -223.864 # jumping subtree containing T0136:Y 312 (101) jump= 0.967685 -0.231817 -0.0443285 0.0887767 -2.98209 108.09 16.6492 # jumping subtree containing T0136:A 224 (13) jump= 0.212716 -0.881616 0.0716863 -0.41517 139.142 150.186 -268.482 # jumping subtree containing T0136:L 252 (41) jump= -0.857306 0.111573 -0.331542 -0.377701 130.11 66.372 -6.71885 # generation 83: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 21 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1126 ## OptSubtree 511 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= -0.835263 -0.329704 0.400649 0.181964 -186.808 -65.4549 -142.626 # Removing break before 37 # generation 84: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 22 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1143 ## OptSubtree 517 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 297 (86) jump= -0.561024 -0.149545 0.0812772 -0.810113 98.2709 -25.5325 -30.2139 # jumping subtree containing T0136:V 237 (26) jump= 0.60272 -0.0981403 -0.740664 -0.280205 -178.479 102.341 -252.273 # generation 85: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 23 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1153 ## OptSubtree 530 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 234 (23) jump= 0.847531 0.247786 0.321215 -0.342219 6.21902 -86.3364 -104.844 # Removing break before 41 # generation 86: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1163 ## OptSubtree 542 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 290 (79) jump= 0.793859 -0.248738 0.0148082 0.554705 11.9023 79.1868 -5.42267 # jumping subtree containing T0136:L 251 (40) jump= 0.852317 -0.0193779 -0.193168 -0.48566 -100.078 38.9335 -26.1993 # jumping subtree containing T0136:L 251 (40) jump= -0.0385943 0.260874 0.872745 -0.410818 -116.075 -97.9868 -264.672 # jumping subtree containing T0136:L 251 (40) jump= -0.498177 0.105835 0.860109 0.0288179 -230.831 32.4295 -292.474 # generation 87: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 26 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1174 ## OptSubtree 554 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= -0.781166 -0.572035 -0.133971 -0.211203 106.926 -107.104 -210.988 # jumping subtree containing T0136:I 281 (70) jump= 0.801877 -0.277533 0.432994 -0.304113 132.472 34.1299 -75.4595 # jumping subtree containing T0136:L 251 (40) jump= -0.633221 0.373273 -0.201881 -0.647258 -10.9513 225.149 -88.882 # jumping subtree containing T0136:H 227 (16) jump= 0.782057 -0.279524 -0.387204 0.400408 -97.8255 17.4709 -17.0067 # jumping subtree containing T0136:A 224 (13) jump= 0.908785 -0.0273017 -0.238082 0.341586 -40.4512 -61.8877 -32.4436 # generation 88: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 26 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1188 ## OptSubtree 564 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= 0.594513 -0.546587 -0.580526 0.103859 -251.114 192.264 -177.994 # jumping subtree containing T0136:L 252 (41) jump= 0.999243 0.00661604 0.0343223 -0.017072 -3.3099 -20.1481 -19.8449 # jumping subtree containing T0136:H 227 (16) jump= -0.244078 -0.0328382 -0.905995 -0.344269 36.7312 148.063 -383.314 # Removing break before 26 # generation 89: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 27 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1206 ## OptSubtree 569 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= -0.346452 -0.473838 0.709154 -0.390575 132.843 -48.0858 -265.088 # jumping subtree containing T0136:L 251 (40) jump= 0.252706 -0.850468 -0.341484 -0.310214 -1.61956 304.685 -275.116 # jumping subtree containing T0136:L 251 (40) jump= 0.975507 -0.156617 0.0464234 0.147315 37.5371 75.887 24.8958 # jumping subtree containing T0136:I 281 (70) jump= 0.997383 0.0710646 -0.00433833 0.012572 11.9897 -6.43591 -2.37722 # generation 90: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 27 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1219 ## OptSubtree 580 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= 0.183551 0.163643 -0.883933 0.397734 -113.079 -149.895 -225.985 # Removing break before 26 # jumping subtree containing T0136:W 302 (91) jump= 0.848809 -0.42373 0.293693 0.117133 97.3159 199.979 -106.938 # jumping subtree containing T0136:L 252 (41) jump= 0.967331 0.0706136 -0.0597984 0.236025 -0.508097 -13.966 -14.6586 # jumping subtree containing T0136:I 299 (88) jump= 0.391923 0.542951 0.717326 -0.192469 -10.3268 -62.5081 -344.622 # jumping subtree containing T0136:I 281 (70) jump= 0.588514 -0.678634 0.19215 0.395203 -43.8604 356.044 -215.643 # Removing break before 26 # Removing break before 26 # generation 91: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 27 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1235 ## OptSubtree 588 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= -0.916084 0.385251 0.0241656 -0.10857 -4.62674 164.428 14.2731 # jumping subtree containing T0136:Y 312 (101) jump= 0.399936 -0.53765 -0.026281 0.741818 -149.635 226.661 -129.221 # jumping subtree containing T0136:L 251 (40) jump= 0.093257 -0.320967 0.733304 0.592071 -54.7185 240.444 -344.059 # jumping subtree containing T0136:L 252 (41) jump= -0.986172 -0.163485 -0.0268738 0.00402103 8.92276 -39.9388 -22.8845 # jumping subtree containing T0136:V 211 (0) jump= -0.691908 0.52291 -0.495241 0.0506435 173.207 168.136 -188.186 # jumping subtree containing T0136:R 279 (68) jump= -0.985857 0.0136895 -0.0621994 0.155015 5.07488 40.8628 38.1456 # jumping subtree containing T0136:I 281 (70) jump= 0.826925 0.118007 0.424422 -0.349478 68.1301 -101.806 -100.048 # jumping subtree containing T0136:L 252 (41) jump= 0.401819 -0.212287 0.672729 0.583876 136.867 287.863 -276.279 # Removing break before 26 # jumping subtree containing T0136:V 237 (26) jump= 0.312723 -0.257157 -0.146407 -0.902574 -109.849 287.789 -31.7269 # generation 92: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 27 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1245 ## OptSubtree 602 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 264 (53) jump= 0.981099 -0.0799422 0.13902 -0.108293 34.1379 20.3659 19.9064 # jumping subtree containing T0136:Y 312 (101) jump= 0.0422954 -0.727123 -0.0171995 -0.684987 148.183 188.434 -192.555 # jumping subtree containing T0136:Y 312 (101) jump= 0.864279 0.382566 0.325317 0.0288725 87.5813 -93.6326 -164.136 # Removing break before 26 # jumping subtree containing T0136:L 251 (40) jump= -0.865614 0.0574902 0.329034 -0.373019 -123.986 46.9014 -0.35381 # jumping subtree containing T0136:L 251 (40) jump= 0.0307195 0.0737407 0.873501 -0.480223 -73.9594 -130.467 -244.796 # jumping subtree containing T0136:I 281 (70) jump= -0.999902 0.0119166 -0.00613973 -0.00391067 -7.55719 25.3844 -10.1056 # jumping subtree containing T0136:H 227 (16) jump= 0.991397 0.120343 0.00900219 -0.0506781 -2.17839 -61.3093 -17.5852 # jumping subtree containing T0136:I 299 (88) jump= 0.998989 -0.0203165 -0.0338402 0.0214972 15.9621 20.0874 -3.94955 # Removing break before 101 # generation 93: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 27 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1261 ## OptSubtree 610 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= 0.744742 0.061431 0.214726 0.628871 146.577 112.923 -56.2264 # jumping subtree containing T0136:L 251 (40) jump= 0.962925 0.149205 -0.197247 -0.107737 -101.484 -62.1906 -17.2546 # jumping subtree containing T0136:R 279 (68) jump= -0.993771 -0.00471727 0.0895138 -0.0662079 -40.6415 -3.62168 17.7156 # jumping subtree containing T0136:V 211 (0) jump= 0.486947 -0.770527 0.251672 -0.325317 150.263 199.682 -182.94 # generation 94: best score out of 40: T0136.try1-al10 63.2464 cost/residue, 227 clashes 0.0793869 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 415 ## TwoFragment 11 ## CrossOver 28 ## CrossAndInsert 48 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1276 ## OptSubtree 618 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= 0.843533 -0.530151 -0.0585817 -0.0629317 -51.7473 270.235 -55.213 # jumping subtree containing T0136:I 281 (70) jump= 0.966298 -0.190989 -0.0658339 0.159555 -18.6204 75.807 37.3846 # jumping subtree containing T0136:L 251 (40) jump= -0.884323 0.198006 -0.0387243 -0.42103 -2.8304 131.364 10.5835 # jumping subtree containing T0136:I 299 (88) jump= -0.95739 0.249668 0.0703537 -0.126968 -42.6496 102.319 24.0505 # generation 95: best score out of 40: T0136.try1-al10 63.2113 cost/residue, 229 clashes 0.0795896 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 416 ## TwoFragment 11 ## CrossOver 29 ## CrossAndInsert 48 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1289 ## OptSubtree 626 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # jumping subtree containing T0136:V 211 (0) jump= 0.854044 -0.363545 0.31563 -0.19703 110.975 79.8794 -48.5774 # generation 96: best score out of 40: T0136.try1-al10 63.2113 cost/residue, 229 clashes 0.0795896 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 416 ## TwoFragment 11 ## CrossOver 29 ## CrossAndInsert 48 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1304 ## OptSubtree 636 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # jumping subtree containing T0136:Y 312 (101) jump= -0.256017 0.314314 0.296579 -0.864698 -99.783 96.9941 11.5828 # jumping subtree containing T0136:D 301 (90) jump= 0.996717 0.0460905 -0.0129625 0.0652849 6.91355 -31.8187 -27.3824 # jumping subtree containing T0136:Y 312 (101) jump= 0.873661 -0.431768 0.175225 0.139961 76.608 191.861 0.691565 # jumping subtree containing T0136:A 224 (13) jump= -0.750492 0.615277 0.00124743 0.241235 38.1997 284.768 -19.2746 # jumping subtree containing T0136:Y 312 (101) jump= -0.617127 0.101313 -0.698628 0.347577 179.324 -29.4525 -113.918 # jumping subtree containing T0136:L 251 (40) jump= -0.97739 -0.191903 0.0629933 0.0625631 -47.0963 -67.0195 -90.8149 # jumping subtree containing T0136:I 299 (88) jump= -0.232639 0.286928 -0.228733 -0.900684 -29.9483 386.719 -87.3097 # jumping subtree containing T0136:A 248 (37) jump= 0.833979 -0.304505 -0.304548 -0.344973 -182.22 189.123 -22.1289 # generation 97: best score out of 40: T0136.try1-al10 63.2113 cost/residue, 229 clashes 0.0795895 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 416 ## TwoFragment 11 ## CrossOver 29 ## CrossAndInsert 48 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1326 ## OptSubtree 646 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 237 (26) jump= 0.452658 -0.0605697 0.684847 -0.567818 92.9222 -30.5817 -41.213 # generation 98: best score out of 40: T0136.try1-al10 63.0729 cost/residue, 227 clashes 0.0726236 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 417 ## TwoFragment 11 ## CrossOver 30 ## CrossAndInsert 48 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1343 ## OptSubtree 652 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= -0.0694228 0.00714193 0.529169 -0.845642 85.753 19.1512 8.21133 # jumping subtree containing T0136:G 213 (2) jump= 0.7778 -0.314873 -0.471207 0.271747 -152.182 82.3086 -41.4333 # jumping subtree containing T0136:V 237 (26) jump= -0.991985 -0.0632507 0.0562519 0.0938078 -59.9346 -9.06258 -8.6901 # jumping subtree containing T0136:V 300 (89) jump= 0.493469 -0.696302 -0.2431 0.461037 -184.835 280.691 -151.19 # jumping subtree containing T0136:I 299 (88) jump= 0.679078 -0.128431 0.557478 -0.459975 141.364 -11.3216 -50.5473 # jumping subtree containing T0136:I 299 (88) jump= -0.626962 -0.312892 -0.642009 0.311194 59.6027 -126.418 -219.898 # generation 99: best score out of 40: T0136.try1-al10 63.0729 cost/residue, 227 clashes 0.0726236 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 418 ## TwoFragment 11 ## CrossOver 30 ## CrossAndInsert 48 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1360 ## OptSubtree 658 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 299 (88) jump= -0.580555 0.508493 0.240011 0.588885 -12.3341 344.153 -110.818 # jumping subtree containing T0136:I 299 (88) jump= -0.455351 0.234801 0.652431 0.558443 -115.192 254.523 -239.958 # jumping subtree containing T0136:G 213 (2) jump= 0.904592 -0.145549 0.0356941 -0.399066 -61.218 70.1802 10.7247 # jumping subtree containing T0136:H 227 (16) jump= -0.806621 0.485762 -0.300683 0.151615 126.633 189.951 -51.0714 # jumping subtree containing T0136:D 301 (90) jump= -0.840582 -0.305786 -0.442575 -0.0635965 168.598 -76.3676 -171.282 # jumping subtree containing T0136:V 237 (26) jump= -0.983532 -0.155609 -0.0869152 -0.0299375 56.7625 -33.5354 -59.0052 # generation 100: best score out of 40: T0136.try1-al10 62.8307 cost/residue, 221 clashes 0.0642828 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 419 ## TwoFragment 11 ## CrossOver 30 ## CrossAndInsert 48 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 1384 ## OptSubtree 669 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1239583469.pdb -s /projects/compbio/tmp/to_scwrl_1239583469.seq -o /projects/compbio/tmp/from_scwrl_1239583469.pdb -a /projects/compbio/tmp/from_scwrl_1239583469_a.pdb -b /projects/compbio/tmp/from_scwrl_1239583469_b.pdb > /projects/compbio/tmp/scwrl_1239583469.log # T0136.try1-al10-scwrl 64.2314 cost/residue 221 clashes 0.0642828 breaks # iteration 13 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 73.4962 cost/residue, 216 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 22 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.7637 cost/residue, 203 clashes 0.0696739 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 44 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.8384 cost/residue, 237 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 65 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.6924 cost/residue, 168 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 87 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.4278 cost/residue, 302 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 104 ## TwoFragment 3 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.332655 0.792701 0.0449483 0.508867 -12.0548 -2.61597 -19.9204 # generation 6: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.9572 cost/residue, 276 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 123 ## TwoFragment 3 ## CrossOver 2 ## CrossAndInsert 12 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.3519 cost/residue, 218 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 138 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 14 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.347 cost/residue, 200 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 151 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 16 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.7586 cost/residue, 209 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 28 ## InsertFragment 164 ## TwoFragment 4 ## CrossOver 6 ## CrossAndInsert 19 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.7518 cost/residue, 197 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 28 ## InsertFragment 180 ## TwoFragment 4 ## CrossOver 6 ## CrossAndInsert 21 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:V 211 (0) jump= -0.233835 0.329278 -0.706105 -0.581647 -4.64491 16.1384 5.9186 # generation 11: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.1867 cost/residue, 139 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 196 ## TwoFragment 5 ## CrossOver 6 ## CrossAndInsert 21 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # generation 12: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.5008 cost/residue, 146 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 212 ## TwoFragment 5 ## CrossOver 7 ## CrossAndInsert 23 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.4891 cost/residue, 147 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 228 ## TwoFragment 5 ## CrossOver 7 ## CrossAndInsert 25 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2174 cost/residue, 136 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 249 ## TwoFragment 5 ## CrossOver 8 ## CrossAndInsert 28 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2174 cost/residue, 136 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 263 ## TwoFragment 5 ## CrossOver 8 ## CrossAndInsert 29 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2174 cost/residue, 136 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 276 ## TwoFragment 5 ## CrossOver 10 ## CrossAndInsert 31 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 12 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0219 cost/residue, 149 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 291 ## TwoFragment 5 ## CrossOver 13 ## CrossAndInsert 32 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 14 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9911 cost/residue, 168 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 305 ## TwoFragment 5 ## CrossOver 15 ## CrossAndInsert 33 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 19 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.9911 cost/residue, 168 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 318 ## TwoFragment 5 ## CrossOver 17 ## CrossAndInsert 35 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 23 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 275 (64) jump= 0.42378 0.273745 -0.271947 0.819463 21.0147 -4.36572 -0.888412 # Removing break before 22 # generation 20: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8289 cost/residue, 152 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 327 ## TwoFragment 5 ## CrossOver 19 ## CrossAndInsert 36 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 28 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 240 (29) jump= -0.845108 0.332557 -0.320454 -0.269275 -38.565 -26.3148 8.80612 # generation 21: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8248 cost/residue, 168 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 331 ## TwoFragment 5 ## CrossOver 21 ## CrossAndInsert 36 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 37 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 224 (13) jump= -0.44011 0.80903 0.364575 -0.137325 -3.26285 31.1831 -9.75226 # Removing break before 13 # generation 22: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.7023 cost/residue, 150 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 339 ## TwoFragment 5 ## CrossOver 24 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 41 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 69 # Removing break before 43 # generation 23: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.6634 cost/residue, 165 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 345 ## TwoFragment 5 ## CrossOver 25 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 49 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 72 # generation 24: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.562 cost/residue, 165 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 355 ## TwoFragment 6 ## CrossOver 27 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 54 ## OptSubtree 43 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 49 # jumping subtree containing T0136:V 211 (0) jump= 0.167517 0.234774 0.714192 0.637769 12.7152 -33.3217 35.863 # generation 25: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3764 cost/residue, 177 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 361 ## TwoFragment 6 ## CrossOver 29 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 61 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= 0.999965 0.007532 0.00323757 0.00150246 1.08544 -2.96305 22.9321 # Removing break before 64 # jumping subtree containing T0136:G 213 (2) jump= 0.994855 -0.062897 -0.0793634 -0.00288867 22.8965 12.3925 -12.1044 # generation 26: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0909 cost/residue, 174 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 365 ## TwoFragment 6 ## CrossOver 34 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 69 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0909 cost/residue, 174 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 368 ## TwoFragment 6 ## CrossOver 39 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 81 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # Removing break before 72 # Removing break before 72 # jumping subtree containing T0136:V 211 (0) jump= 0.202922 -0.571844 0.703818 -0.3694 -0.452829 -12.4625 33.5265 # generation 28: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.0909 cost/residue, 174 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 375 ## TwoFragment 6 ## CrossOver 42 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 89 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= 0.915546 -0.3701 -0.0100113 -0.157166 -9.32141 -11.5971 -9.90322 # Removing break before 72 # jumping subtree containing T0136:P 283 (72) jump= -0.9867 -0.0916832 0.110516 -0.0761783 -6.43545 -5.59153 19.8401 # jumping subtree containing T0136:P 283 (72) jump= 0.891649 -0.289642 0.272879 0.215884 8.64778 11.6326 28.033 # Removing break before 72 # generation 29: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9908 cost/residue, 178 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 381 ## TwoFragment 7 ## CrossOver 42 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 98 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.332599 0.650905 0.349148 0.586342 14.549 -28.6646 16.9931 # generation 30: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.8077 cost/residue, 170 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 383 ## TwoFragment 7 ## CrossOver 44 ## CrossAndInsert 39 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 107 ## OptSubtree 83 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.786748 -0.277463 0.340855 -0.433427 -10.0031 -16.5331 -15.3139 # Removing break before 72 # generation 31: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.8077 cost/residue, 170 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 385 ## TwoFragment 7 ## CrossOver 49 ## CrossAndInsert 40 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 117 ## OptSubtree 88 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 72 # Removing break before 72 # Removing break before 72 # generation 32: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.8077 cost/residue, 170 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 388 ## TwoFragment 7 ## CrossOver 52 ## CrossAndInsert 41 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 130 ## OptSubtree 91 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 33: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.8002 cost/residue, 175 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 391 ## TwoFragment 7 ## CrossOver 53 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 143 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 72 # generation 34: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7316 cost/residue, 179 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 393 ## TwoFragment 7 ## CrossOver 53 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 161 ## OptSubtree 101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # generation 35: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6148 cost/residue, 174 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 398 ## TwoFragment 7 ## CrossOver 54 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 173 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 72 # jumping subtree containing T0136:V 211 (0) jump= -0.558023 -0.144429 -0.570715 0.584837 -18.2433 -13.7136 21.2554 # Removing break before 55 # generation 36: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5765 cost/residue, 177 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 402 ## TwoFragment 7 ## CrossOver 57 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 185 ## OptSubtree 113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= -0.991711 -0.0956999 -0.0277026 -0.0811367 -18.3559 16.4488 -3.40869 # jumping subtree containing T0136:V 237 (26) jump= 0.0727759 0.102815 0.117667 -0.985032 -7.41546 -33.9094 3.92898 # generation 37: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5577 cost/residue, 188 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 403 ## TwoFragment 7 ## CrossOver 61 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 203 ## OptSubtree 119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 281 (70) jump= 0.78642 -0.444229 -0.364251 -0.226993 -8.13136 5.71344 21.8098 # Removing break before 70 # jumping subtree containing T0136:I 281 (70) jump= 0.806613 0.0567016 -0.415895 -0.416162 -5.58335 7.71196 21.4536 # Removing break before 72 # jumping subtree containing T0136:P 283 (72) jump= -0.209331 0.559627 0.33846 -0.726941 -14.3953 5.75188 5.12254 # jumping subtree containing T0136:H 235 (24) jump= -0.937558 0.29827 -0.127905 -0.12514 -7.28505 17.1916 -27.7364 # Removing break before 72 # generation 38: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.5076 cost/residue, 204 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 404 ## TwoFragment 7 ## CrossOver 62 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 214 ## OptSubtree 128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= -0.815728 -0.405438 -0.401874 0.093301 3.92715 17.378 10.0731 # jumping subtree containing T0136:V 211 (0) jump= 0.997574 -0.0558263 -0.0142668 -0.0390562 -14.8183 -11.6938 6.8831 # jumping subtree containing T0136:P 283 (72) jump= -0.59012 -0.746936 -0.198326 -0.233475 -1.40435 -10.8456 -9.04158 # jumping subtree containing T0136:P 283 (72) jump= -0.855395 0.290669 0.418611 0.0925999 -13.0865 -17.4773 0.69858 # Removing break before 72 # Removing break before 22 # generation 39: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3777 cost/residue, 187 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 407 ## TwoFragment 7 ## CrossOver 63 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 225 ## OptSubtree 136 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 287 (76) jump= 0.345299 0.279163 0.476592 -0.758747 1.64177 -1.49872 16.2142 # Removing break before 93 # jumping subtree containing T0136:P 283 (72) jump= 0.388657 0.101922 -0.809016 -0.42901 4.31171 -33.5994 7.67993 # Removing break before 72 # jumping subtree containing T0136:V 211 (0) jump= -0.908258 -0.191271 0.313919 0.199844 17.2527 11.7814 -22.8384 # generation 40: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3777 cost/residue, 187 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 409 ## TwoFragment 7 ## CrossOver 63 ## CrossAndInsert 42 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 241 ## OptSubtree 140 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.172672 -0.0789963 0.444361 0.875493 26.262 -20.441 -19.8679 # Removing break before 42 # Removing break before 72 # generation 41: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3777 cost/residue, 187 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 410 ## TwoFragment 7 ## CrossOver 65 ## CrossAndInsert 44 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 256 ## OptSubtree 149 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:V 211 (0) jump= 0.0893765 -0.87885 -0.0834573 -0.46116 22.7337 -44.1785 6.32864 # Removing break before 42 # jumping subtree containing T0136:D 285 (74) jump= 0.740142 -0.633809 -0.170011 -0.146876 20.1291 9.92853 2.74317 # generation 42: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.0067 cost/residue, 188 clashes 0.00811515 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 412 ## TwoFragment 7 ## CrossOver 66 ## CrossAndInsert 44 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 269 ## OptSubtree 155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # Removing break before 42 # jumping subtree containing T0136:S 253 (42) jump= 0.115013 -0.928612 -0.352246 -0.0193414 -13.566 7.97691 2.16624 # Removing break before 42 # Removing break before 42 # generation 43: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.9956 cost/residue, 191 clashes 0.00811515 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 53 ## InsertFragment 418 ## TwoFragment 7 ## CrossOver 67 ## CrossAndInsert 44 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 279 ## OptSubtree 161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.443843 0.73252 -0.361806 -0.368124 -12.5748 -18.8829 28.3534 # Removing break moved up 3 to before 38 # Removing break before 71 # jumping subtree containing T0136:V 282 (71) jump= -0.930482 0.303058 -0.204751 -0.0208777 3.29725 -30.7293 -13.8878 # Removing break before 42 # jumping subtree containing T0136:S 253 (42) jump= 0.278841 -0.924431 0.0945563 -0.24235 -3.14341 -51.8468 -26.5349 # Removing break moved up 3 to before 38 # generation 44: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.9449 cost/residue, 205 clashes 0.00811515 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 54 ## InsertFragment 419 ## TwoFragment 7 ## CrossOver 68 ## CrossAndInsert 44 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 296 ## OptSubtree 172 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.10401 0.285943 0.515886 0.8008 17.8596 21.5817 -3.20032 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 45: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.8295 cost/residue, 179 clashes 0.00811516 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 420 ## TwoFragment 7 ## CrossOver 71 ## CrossAndInsert 44 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 311 ## OptSubtree 182 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:S 253 (42) jump= 0.906499 -0.217537 -0.318778 -0.171225 -2.20166 23.1114 20.7528 # jumping subtree containing T0136:S 253 (42) jump= -0.131005 0.285473 -0.247943 -0.916443 -0.673732 13.9675 -21.7462 # jumping subtree containing T0136:V 211 (0) jump= 0.650384 -0.019053 0.743961 0.152183 31.9009 -10.7593 21.0482 # Removing break moved up 3 to before 38 # generation 46: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7562 cost/residue, 179 clashes 0.00811516 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 72 ## CrossAndInsert 44 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 27 ## JiggleSubtree 327 ## OptSubtree 193 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:S 253 (42) jump= 0.995063 0.0922031 0.0264072 -0.0254998 13.7156 -16.4639 -6.17245 # jumping subtree containing T0136:S 253 (42) jump= 0.645457 -0.593045 0.0642297 -0.47703 3.94383 6.52826 22.8393 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:S 253 (42) jump= -0.948425 -0.129501 0.19853 -0.210487 -7.06706 10.7746 -23.0939 # Removing break moved up 3 to before 38 # generation 47: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7562 cost/residue, 179 clashes 0.00811516 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 73 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 345 ## OptSubtree 204 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 257 (46) jump= -0.270965 0.238511 0.512291 0.779261 -4.58122 28.9241 -4.57988 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:V 211 (0) jump= -0.9887 -0.0928355 0.0830771 -0.0833804 -9.815 -10.794 3.98473 # jumping subtree containing T0136:V 272 (61) jump= 0.878184 0.314815 0.197432 -0.301173 8.27584 -11.0395 1.81251 # generation 48: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6789 cost/residue, 209 clashes 0.00811516 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 424 ## TwoFragment 7 ## CrossOver 75 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 363 ## OptSubtree 216 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:S 253 (42) jump= 0.921357 0.207454 0.0785677 0.319206 25.1557 -2.53308 6.88302 # jumping subtree containing T0136:L 246 (35) jump= 0.564883 -0.16525 0.164896 -0.79146 -14.3714 92.6217 -7.08153 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:Q 257 (46) jump= -0.173515 0.57707 -0.776187 0.185519 10.7143 -12.8389 -8.823 # generation 49: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6789 cost/residue, 209 clashes 0.00811516 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 428 ## TwoFragment 7 ## CrossOver 75 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 373 ## OptSubtree 224 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:S 253 (42) jump= 0.15388 0.338558 0.24936 0.894158 5.93181 51.2604 -35.2493 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 50: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.6789 cost/residue, 209 clashes 0.00811516 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 428 ## TwoFragment 7 ## CrossOver 77 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 392 ## OptSubtree 234 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 246 (35) jump= -0.998846 0.0423467 0.0198628 0.0109383 10.3093 15.7695 -11.3571 # jumping subtree containing T0136:S 253 (42) jump= -0.58126 0.665118 -0.428251 0.19067 -15.9296 24.3647 7.08075 # jumping subtree containing T0136:D 291 (80) jump= 0.0225922 -0.745119 -0.471523 0.471119 -41.4089 36.4969 15.2554 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 51: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.4693 cost/residue, 218 clashes 0.00811518 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 431 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 404 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # generation 52: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.4693 cost/residue, 218 clashes 0.00811522 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 432 ## TwoFragment 7 ## CrossOver 82 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 418 ## OptSubtree 248 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.491807 0.113517 -0.85659 0.107208 8.25235 -5.56563 16.8837 # jumping subtree containing T0136:S 253 (42) jump= 0.613454 -0.385798 0.577774 0.375515 -4.90354 24.5109 7.29572 # jumping subtree containing T0136:E 239 (28) jump= -0.663511 0.294886 0.0298692 -0.686952 45.8792 29.5003 6.56837 # jumping subtree containing T0136:N 259 (48) jump= -0.988662 -0.140671 -0.0411117 -0.0327002 -3.68773 -4.38236 -31.2163 # jumping subtree containing T0136:D 280 (69) jump= 0.305238 0.824353 0.474376 -0.0473125 -24.17 16.2068 -28.9807 # generation 53: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.4674 cost/residue, 218 clashes 0.00811518 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 433 ## TwoFragment 7 ## CrossOver 83 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 434 ## OptSubtree 263 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:D 280 (69) jump= 0.291975 -0.763797 -0.32187 -0.477247 -23.326 27.1886 -14.057 # Removing break moved up 3 to before 38 # generation 54: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2989 cost/residue, 215 clashes 0.0199006 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 437 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 444 ## OptSubtree 271 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:D 240 (29) jump= -0.734844 -0.624719 -0.0467474 0.259895 -11.9427 21.4599 3.34538 # jumping subtree containing T0136:P 283 (72) jump= -0.998574 -0.0155574 -0.031194 0.0404423 -18.3421 13.5079 -8.10316 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:P 283 (72) jump= -0.684289 0.224563 0.469854 -0.510448 9.70756 -19.2718 15.3509 # generation 55: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2989 cost/residue, 215 clashes 0.0199006 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 438 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 459 ## OptSubtree 285 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 39 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:N 259 (48) jump= 0.927292 -0.342427 0.136011 0.0661349 11.5959 14.0357 -22.2447 # generation 56: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2989 cost/residue, 215 clashes 0.0199006 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 438 ## TwoFragment 7 ## CrossOver 88 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 479 ## OptSubtree 296 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 239 (28) jump= -0.398514 0.272024 -0.857572 -0.178213 -6.59274 -11.7254 27.4909 # Removing break before 48 # Removing break moved up 3 to before 38 # Removing break before 48 # jumping subtree containing T0136:S 253 (42) jump= -0.449911 0.540944 -0.69772 0.134708 37.5089 3.41753 -17.9491 # generation 57: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0546 cost/residue, 201 clashes 0.00811518 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 439 ## TwoFragment 7 ## CrossOver 92 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 489 ## OptSubtree 308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break before 48 # jumping subtree containing T0136:N 259 (48) jump= -0.519253 0.0726759 0.221838 0.82212 14.9717 59.0036 -23.2015 # jumping subtree containing T0136:S 273 (62) jump= -0.712371 -0.553584 -0.0620397 -0.426876 -2.70752 25.8872 -11.7718 # Removing break before 48 # Removing break moved up 3 to before 38 # Removing break before 48 # Removing break moved up 3 to before 38 # generation 58: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0546 cost/residue, 201 clashes 0.00811518 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 440 ## TwoFragment 7 ## CrossOver 101 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 503 ## OptSubtree 319 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:L 246 (35) jump= -0.776408 -0.0227818 -0.135497 0.615071 6.33053 2.17747 5.99248 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 59: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0546 cost/residue, 201 clashes 0.00811511 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 440 ## TwoFragment 7 ## CrossOver 101 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 520 ## OptSubtree 330 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= 0.772247 -0.313209 0.367001 0.413334 24.2387 16.6159 -10.6025 # jumping subtree containing T0136:S 253 (42) jump= 0.544516 -0.512228 -0.627018 0.219029 0.813691 18.3462 20.247 # Removing break moved up 3 to before 38 # generation 60: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.0545 cost/residue, 201 clashes 0.00811515 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 440 ## TwoFragment 7 ## CrossOver 102 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 537 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= -0.466343 0.171126 -0.620487 -0.606825 43.1674 -6.4477 16.7315 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:E 239 (28) jump= 0.114363 0.282481 -0.548062 -0.778944 -22.0294 31.2838 -10.6492 # jumping subtree containing T0136:D 219 (8) jump= -0.703055 0.680878 0.0453908 -0.200145 -17.7508 22.0439 -50.1951 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:V 272 (61) jump= -0.0799059 -0.246673 0.745656 -0.613811 54.8879 -21.9157 -85.7962 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:N 258 (47) jump= -0.966265 -0.13824 0.0930974 -0.196354 14.7812 -28.6596 0.193809 # Removing break moved up 3 to before 38 # generation 61: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.9242 cost/residue, 201 clashes 0.00607016 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 441 ## TwoFragment 7 ## CrossOver 103 ## CrossAndInsert 45 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 548 ## OptSubtree 351 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:A 248 (37) jump= 0.5082 0.653307 -0.314976 0.464449 35.5377 -64.1475 -70.2056 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:G 289 (78) jump= 0.425896 -0.237869 0.499281 -0.716065 125.91 7.63471 -57.5618 # generation 62: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.9242 cost/residue, 201 clashes 0.00607002 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 441 ## TwoFragment 7 ## CrossOver 106 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 556 ## OptSubtree 366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 246 (35) jump= -0.98846 -0.000408448 -0.0209593 -0.150025 -23.6864 -41.5022 11.7542 # jumping subtree containing T0136:G 286 (75) jump= 0.193658 0.300818 0.758815 0.544247 61.9864 -6.1377 -57.4673 # jumping subtree containing T0136:E 239 (28) jump= 0.898945 -0.384706 -0.0514287 0.203114 -16.9617 24.1841 8.74945 # jumping subtree containing T0136:L 251 (40) jump= -0.600212 0.530193 -0.269153 -0.534975 -15.2838 11.6899 1.14166 # jumping subtree containing T0136:G 289 (78) jump= 0.653049 0.428503 0.521991 0.342693 57.2621 -67.4692 -8.59527 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # generation 63: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.9242 cost/residue, 201 clashes 0.00607002 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 441 ## TwoFragment 7 ## CrossOver 109 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 568 ## OptSubtree 383 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 283 (72) jump= 0.17959 -0.361586 0.755811 -0.515512 45.8406 -33.3736 -76.4119 # jumping subtree containing T0136:G 289 (78) jump= 0.749325 -0.311014 0.500496 0.302138 29.9212 52.1742 -53.3066 # jumping subtree containing T0136:G 289 (78) jump= -0.999761 0.0132188 -0.00808055 0.015405 17.6811 -2.89881 -3.74432 # jumping subtree containing T0136:G 289 (78) jump= -0.984321 0.10256 0.086754 0.114315 -23.4755 14.8518 -15.9945 # jumping subtree containing T0136:G 289 (78) jump= -0.229741 -0.873551 0.176976 0.390905 -9.68117 -14.4446 -39.2966 # jumping subtree containing T0136:G 286 (75) jump= 0.882045 0.439808 0.130427 0.107487 23.8391 -44.2079 -3.10706 # jumping subtree containing T0136:S 253 (42) jump= -0.182125 -0.879408 0.305733 0.316226 -21.1322 -33.4968 -75.8888 # generation 64: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8814 cost/residue, 190 clashes 0.00607002 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 442 ## TwoFragment 7 ## CrossOver 110 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 578 ## OptSubtree 396 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.662666 0.141738 -0.491967 -0.546582 38.9065 25.0349 7.49779 # jumping subtree containing T0136:V 211 (0) jump= -0.430345 0.383511 -0.804331 0.14413 78.7169 6.82497 -52.2633 # generation 65: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8814 cost/residue, 190 clashes 0.00607 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 442 ## TwoFragment 7 ## CrossOver 111 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 587 ## OptSubtree 410 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 300 (89) jump= 0.914917 0.130773 -0.218349 0.313287 -26.5431 -33.2876 -1.09945 # jumping subtree containing T0136:G 289 (78) jump= 0.919087 0.0142957 -0.389382 0.0587903 -26.6413 1.17473 -35.4236 # jumping subtree containing T0136:V 211 (0) jump= 0.262968 0.55304 -0.42579 -0.666106 0.935597 47.725 6.09265 # generation 66: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8805 cost/residue, 190 clashes 0.00606993 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 442 ## TwoFragment 7 ## CrossOver 113 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 599 ## OptSubtree 427 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.96514 0.175671 0.0491391 0.187698 -8.58066 12.8783 -14.8927 # jumping subtree containing T0136:D 241 (30) jump= 0.853854 -0.0413945 -0.138534 0.500028 -1.55649 1.33548 11.1763 # jumping subtree containing T0136:G 289 (78) jump= 0.85697 0.239436 0.416565 0.186405 51.8167 -23.2006 -1.6621 # jumping subtree containing T0136:G 289 (78) jump= 0.263637 -0.565928 -0.639566 -0.448526 56.552 13.9321 -113.625 # jumping subtree containing T0136:E 239 (28) jump= 0.975316 0.00728019 0.17293 -0.137113 49.0552 -19.9188 8.49804 # jumping subtree containing T0136:L 251 (40) jump= 0.135821 -0.198037 -0.966541 -0.0901759 19.5066 3.41773 -95.4095 # generation 67: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8129 cost/residue, 198 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 115 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 605 ## OptSubtree 441 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.74991 0.453884 0.440911 0.19293 -18.2323 45.1281 -61.1023 # jumping subtree containing T0136:L 251 (40) jump= 0.887973 0.455571 -0.0231606 0.0585 17.3531 -27.2839 -9.65137 # jumping subtree containing T0136:G 289 (78) jump= 0.125419 -0.723406 0.670371 -0.107497 38.6247 3.6653 -145.756 # jumping subtree containing T0136:A 248 (37) jump= 0.0602277 0.109779 0.981666 0.143712 87.1323 -20.0288 -68.9846 # jumping subtree containing T0136:G 286 (75) jump= 0.981678 -0.0897511 -0.168069 -0.00224407 -21.2781 6.51724 -18.742 # jumping subtree containing T0136:E 307 (96) jump= 0.193722 0.840558 0.403501 -0.305158 -20.7181 -40.8043 -85.1721 # jumping subtree containing T0136:G 289 (78) jump= -0.538913 0.0210171 0.842058 0.00833343 -16.6665 19.4135 -68.6047 # generation 68: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8129 cost/residue, 198 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 115 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 616 ## OptSubtree 456 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 251 (40) jump= 0.866461 -0.222865 0.309512 -0.322147 58.3013 5.76661 -29.6355 # jumping subtree containing T0136:V 211 (0) jump= 0.884676 0.218696 0.34222 0.228922 17.2494 -16.6985 -1.49729 # generation 69: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8129 cost/residue, 198 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 116 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 631 ## OptSubtree 472 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 239 (28) jump= 0.12067 0.158981 -0.965454 0.167518 46.0231 9.89486 -62.8438 # jumping subtree containing T0136:G 289 (78) jump= 0.130559 -0.275721 0.699884 -0.645829 64.1062 -42.6856 -98.8714 # generation 70: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8129 cost/residue, 198 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 118 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 641 ## OptSubtree 484 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.284983 -0.240786 0.201816 -0.905581 51.9827 -26.2048 -46.7485 # jumping subtree containing T0136:A 248 (37) jump= 0.485192 0.345581 -0.735664 0.322429 -50.7884 -72.0894 -44.7517 # jumping subtree containing T0136:L 251 (40) jump= 0.999389 -0.0236962 -0.0242875 -0.00837042 -18.8079 -13.9231 3.73556 # jumping subtree containing T0136:L 251 (40) jump= 0.188979 -0.186609 -0.845825 -0.46265 -5.38208 19.0275 -63.7825 # generation 71: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8129 cost/residue, 198 clashes 0.0177679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 121 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 646 ## OptSubtree 500 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= 0.614724 -0.673837 0.372723 0.170693 7.5376 18.0833 -70.3063 # jumping subtree containing T0136:L 251 (40) jump= -0.0488505 -0.829529 0.284625 -0.477999 24.3546 -2.81049 -91.8708 # jumping subtree containing T0136:D 280 (69) jump= 0.57953 0.363103 0.050371 -0.727849 -41.9118 -22.2151 -17.8819 # jumping subtree containing T0136:G 289 (78) jump= -0.954147 0.00335519 0.046676 -0.295658 -2.76994 -38.8286 -6.34228 # generation 72: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.8129 cost/residue, 198 clashes 0.0177679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 444 ## TwoFragment 7 ## CrossOver 126 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 648 ## OptSubtree 517 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.188559 -0.907953 -0.0227881 0.373562 -53.0177 -53.0581 -115.198 # generation 73: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7816 cost/residue, 194 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 132 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 655 ## OptSubtree 527 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= -0.661475 -0.188615 -0.39197 0.61093 33.1558 -41.1911 -14.942 # jumping subtree containing T0136:A 297 (86) jump= -0.962085 0.23271 0.0242677 0.140179 -2.24711 23.1594 -5.73815 # jumping subtree containing T0136:A 297 (86) jump= 0.581031 -0.447119 -0.651413 -0.195315 -43.3942 47.1567 -65.3939 # jumping subtree containing T0136:S 253 (42) jump= -0.865874 -0.205365 0.268892 0.368489 -40.1684 18.9088 -22.1877 # generation 74: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7816 cost/residue, 194 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 133 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 667 ## OptSubtree 538 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.98222 -0.0575634 -0.136757 0.115015 26.54 18.2226 8.98412 # jumping subtree containing T0136:G 289 (78) jump= -0.986079 -0.0317312 -0.0284609 0.160724 26.0743 -20.853 4.33768 # jumping subtree containing T0136:E 239 (28) jump= -0.733641 -0.376238 0.100768 0.556832 -28.4563 -3.84616 -24.404 # generation 75: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7816 cost/residue, 194 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 134 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 682 ## OptSubtree 553 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.98934 0.0320627 -0.120427 -0.0753386 17.9125 -1.51457 0.712279 # jumping subtree containing T0136:V 211 (0) jump= 0.275346 0.62485 -0.124665 -0.719865 -20.5231 -54.1988 -15.9877 # generation 76: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7816 cost/residue, 194 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 139 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 689 ## OptSubtree 565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= 0.637987 0.764436 0.0892824 0.0252625 23.5299 -98.6773 -60.0897 # jumping subtree containing T0136:V 300 (89) jump= -0.275961 0.272149 -0.423509 -0.818792 16.8207 62.022 -20.1017 # jumping subtree containing T0136:N 259 (48) jump= -0.0593032 -0.0217915 -0.726259 0.684511 42.8324 -66.5825 -73.4455 # jumping subtree containing T0136:E 239 (28) jump= -0.377628 0.0610784 -0.390231 0.837488 49.0153 -11.3569 -1.82381 # jumping subtree containing T0136:V 300 (89) jump= -0.0251963 -0.722933 0.171626 0.668788 -62.0798 41.9619 -75.3868 # generation 77: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7816 cost/residue, 194 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 140 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 695 ## OptSubtree 582 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.68143 0.557561 -0.361954 -0.306216 -37.7754 -50.4346 -57.908 # jumping subtree containing T0136:G 289 (78) jump= 0.0959187 0.251783 0.713128 -0.647189 10.2878 -101.505 -66.6894 # jumping subtree containing T0136:L 251 (40) jump= 0.846131 -0.335678 0.110455 -0.398977 35.393 63.4207 0.162683 # jumping subtree containing T0136:L 251 (40) jump= -0.989772 -0.098001 -0.103566 0.00469764 -0.62447 -28.7911 14.3992 # generation 78: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7816 cost/residue, 194 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 144 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 703 ## OptSubtree 594 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.659161 0.428388 -0.444561 -0.429367 -22.5234 -5.08671 -54.7396 # jumping subtree containing T0136:G 289 (78) jump= 0.898126 -0.328994 -0.260937 0.130554 -7.08646 37.6625 -32.4176 # jumping subtree containing T0136:S 253 (42) jump= 0.747127 0.325418 0.540423 -0.209396 23.8017 -19.3662 -8.25596 # jumping subtree containing T0136:S 253 (42) jump= 0.944447 -0.115834 0.305052 -0.0393217 29.2308 10.5756 4.64123 # generation 79: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7815 cost/residue, 194 clashes 0.0177676 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 146 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 710 ## OptSubtree 610 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.959626 0.165533 -0.218069 0.0645154 -24.3068 -24.8714 -11.2999 # jumping subtree containing T0136:L 251 (40) jump= 0.514103 -0.193424 -0.0353796 0.834885 -16.8764 38.3015 -12.9515 # jumping subtree containing T0136:V 211 (0) jump= 0.938017 0.0697967 -0.243612 -0.236444 -58.913 14.7128 0.0618639 # jumping subtree containing T0136:V 211 (0) jump= 0.0242001 0.396956 -0.528628 0.749929 52.7809 -61.3537 -90.3011 # jumping subtree containing T0136:G 286 (75) jump= -0.87053 0.271039 0.407899 0.0483117 -31.8867 52.9229 -68.0217 # jumping subtree containing T0136:G 289 (78) jump= -0.0178621 -0.670211 -0.47489 0.570068 -36.3872 -89.8034 -87.2712 # jumping subtree containing T0136:G 289 (78) jump= -0.974004 0.073717 0.181173 -0.114274 -19.0013 22.7741 -16.7224 # generation 80: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7815 cost/residue, 194 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 150 ## CrossAndInsert 46 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 716 ## OptSubtree 624 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= -0.327959 -0.625083 -0.214701 -0.674995 113.804 -19.7156 -101.823 # jumping subtree containing T0136:E 239 (28) jump= -0.233863 0.401344 -0.565832 -0.681224 -8.57755 93.4888 -92.4136 # jumping subtree containing T0136:P 274 (63) jump= 0.641604 -0.076041 0.759393 -0.0767066 60.3682 -7.84675 -67.4032 # jumping subtree containing T0136:G 289 (78) jump= -0.890009 0.210444 0.398074 -0.0716507 -80.0094 57.6252 -42.9885 # jumping subtree containing T0136:G 289 (78) jump= -0.793833 0.25967 0.530196 0.145921 -71.4597 46.6846 -68.4251 # jumping subtree containing T0136:G 289 (78) jump= -0.290595 -0.180855 -0.600044 -0.723044 88.1708 90.3913 -86.2362 # generation 81: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.751 cost/residue, 193 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 153 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 716 ## OptSubtree 644 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 294 (83) jump= -0.4483 -0.834464 0.136928 0.289737 -52.7139 -82.5995 -139.157 # jumping subtree containing T0136:G 289 (78) jump= 0.194112 0.295937 -0.251803 0.900743 46.0993 -112.861 -42.709 # jumping subtree containing T0136:D 304 (93) jump= 0.791239 0.452139 0.281418 -0.300524 3.73724 -96.0706 -59.6722 # jumping subtree containing T0136:V 282 (71) jump= -0.915561 0.129876 0.376738 0.054302 -61.3696 39.8072 -51.4241 # jumping subtree containing T0136:G 289 (78) jump= 0.475364 0.244354 -0.544311 -0.646565 20.8976 31.6666 -16.2159 # jumping subtree containing T0136:G 289 (78) jump= -0.742678 -0.633418 0.0631815 -0.20789 10.4603 -99.0975 -46.7688 # generation 82: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.751 cost/residue, 193 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 155 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 724 ## OptSubtree 660 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 278 (67) jump= 0.971396 -0.155504 -0.128602 0.125183 -33.3545 39.4193 -41.708 # jumping subtree containing T0136:L 251 (40) jump= -0.240402 -0.253978 -0.90883 0.227441 82.4752 -64.1584 -148.857 # jumping subtree containing T0136:S 253 (42) jump= 0.42005 -0.192396 -0.73005 0.503557 -17.1946 -106.846 -163.872 # generation 83: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7509 cost/residue, 193 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 156 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 738 ## OptSubtree 678 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.170387 -0.441623 -0.24938 -0.844835 115.26 22.6051 -65.4536 # jumping subtree containing T0136:S 273 (62) jump= -0.873099 0.392523 0.279106 -0.0756601 -74.6085 58.3328 -55.6609 # jumping subtree containing T0136:D 304 (93) jump= 0.278735 -0.601234 0.615199 0.42703 -2.02282 48.7397 -125.431 # generation 84: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7453 cost/residue, 193 clashes 0.0177679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 160 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 746 ## OptSubtree 690 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 273 (62) jump= 0.991009 0.0283473 -0.0920499 -0.092868 -9.09661 -13.1015 4.53568 # jumping subtree containing T0136:G 289 (78) jump= -0.341561 0.497474 0.797384 0.00580086 26.3261 -25.2007 -198.619 # jumping subtree containing T0136:L 251 (40) jump= -0.695433 0.648016 0.063716 -0.303955 -58.3286 34.869 -105.089 # jumping subtree containing T0136:G 289 (78) jump= 0.688246 0.196223 -0.435069 0.546377 -30.6179 -129.234 -83.9298 # jumping subtree containing T0136:L 251 (40) jump= -0.843926 -0.279018 0.0714147 0.45259 2.7714 -8.33454 -16.8249 # generation 85: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7453 cost/residue, 193 clashes 0.0177681 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 164 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 755 ## OptSubtree 701 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 273 (62) jump= 0.635718 -0.0575063 -0.502695 0.58297 -40.027 -99.4296 -108.12 # jumping subtree containing T0136:L 251 (40) jump= -0.469389 0.587257 -0.293975 -0.590239 -49.9048 10.8685 -76.858 # jumping subtree containing T0136:G 289 (78) jump= -0.861875 0.348691 -0.0103219 -0.368075 -47.834 37.7757 -65.551 # generation 86: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7453 cost/residue, 193 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 164 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 767 ## OptSubtree 722 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.928689 0.218036 -0.0481859 -0.296099 -23.11 39.3927 -38.3407 # jumping subtree containing T0136:S 253 (42) jump= -0.927199 0.135094 0.222639 -0.269226 -49.0194 -8.09409 -51.2082 # jumping subtree containing T0136:E 239 (28) jump= 0.998498 0.0468602 -0.0282379 -0.00301211 9.42672 0.111543 17.5201 # jumping subtree containing T0136:G 289 (78) jump= -0.208832 0.531122 0.756346 0.319747 67.8719 14.6504 -229.221 # jumping subtree containing T0136:L 251 (40) jump= -0.996446 -0.0402814 -0.0704628 -0.0225532 33.1104 -8.29104 -0.153215 # generation 87: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7453 cost/residue, 193 clashes 0.017768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 167 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 778 ## OptSubtree 732 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 273 (62) jump= 0.0730393 -0.29519 0.936203 0.176218 57.6665 61.1761 -219.45 # jumping subtree containing T0136:G 289 (78) jump= -0.780699 0.509657 -0.217533 0.288856 110.701 71.7427 -105.531 # jumping subtree containing T0136:V 308 (97) jump= -0.909788 -0.390991 0.116272 0.076766 -31.1469 -54.1604 -34.4953 # jumping subtree containing T0136:L 251 (40) jump= 0.831974 0.171569 0.11085 0.515844 44.2219 -68.4745 5.25303 # jumping subtree containing T0136:G 286 (75) jump= -0.612 -0.204349 0.299938 0.702662 -11.3837 12.1357 -39.6594 # jumping subtree containing T0136:G 289 (78) jump= -0.981466 0.0335157 0.153521 -0.109697 -70.7713 10.7084 -20.6306 # jumping subtree containing T0136:G 289 (78) jump= 0.735344 0.129034 0.511889 0.424958 166.313 7.20951 -47.2374 # generation 88: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7453 cost/residue, 193 clashes 0.017768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 169 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 786 ## OptSubtree 746 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= 0.919405 -0.309102 0.0551369 -0.236876 27.3044 91.283 -43.8289 # jumping subtree containing T0136:G 289 (78) jump= -0.455522 -0.885261 -0.0862315 -0.0370971 22.4726 -151.722 -211.407 # jumping subtree containing T0136:W 302 (91) jump= 0.174885 -0.757478 -0.461004 0.427922 -37.0129 -78.7128 -194.26 # jumping subtree containing T0136:G 286 (75) jump= -0.614953 0.271804 -0.711322 -0.204881 133.696 73.3572 -128.957 # jumping subtree containing T0136:W 302 (91) jump= 0.60573 -0.501858 0.45739 0.414757 18.1714 107.78 -82.6133 # jumping subtree containing T0136:G 289 (78) jump= 0.979183 -0.171642 -0.0635351 -0.0877667 -6.03798 42.2635 -34.5717 # jumping subtree containing T0136:S 273 (62) jump= -0.263629 0.441218 -0.84516 -0.146736 48.3643 56.7987 -200.043 # jumping subtree containing T0136:G 289 (78) jump= 0.107399 -0.108098 -0.777247 -0.610464 55.4053 98.4319 -161.891 # jumping subtree containing T0136:G 289 (78) jump= 0.676515 0.162364 -0.329558 0.638245 -24.9564 -137.062 -80.8556 # jumping subtree containing T0136:S 273 (62) jump= -0.875937 -0.150907 0.457937 -0.0160109 -92.6228 -57.2822 -59.4744 # generation 89: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7452 cost/residue, 193 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 177 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 788 ## OptSubtree 760 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.898383 -0.227619 0.06842 -0.369345 46.4044 51.3333 -30.3447 # jumping subtree containing T0136:G 289 (78) jump= -0.979189 0.0195831 0.0545671 0.194496 -37.9912 -5.69213 -9.54063 # jumping subtree containing T0136:G 286 (75) jump= 0.811335 0.502129 -0.243675 -0.17385 -71.1205 -96.1973 -82.6317 # jumping subtree containing T0136:S 253 (42) jump= 0.590898 0.566201 -0.305144 0.486973 14.8945 -136.383 -138.347 # jumping subtree containing T0136:L 251 (40) jump= 0.999529 -0.0147542 -0.021176 -0.0166327 9.21153 6.54835 -2.60634 # jumping subtree containing T0136:E 239 (28) jump= 0.455215 -0.798937 0.0250296 -0.392241 83.6162 79.0723 -198.74 # jumping subtree containing T0136:G 289 (78) jump= 0.587868 -0.635115 0.176234 0.469022 -64.2623 74.442 -103.667 # generation 90: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7452 cost/residue, 193 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 445 ## TwoFragment 7 ## CrossOver 181 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 791 ## OptSubtree 777 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.670038 0.614565 0.290399 -0.298374 33.8179 -181.764 -81.2488 # jumping subtree containing T0136:V 211 (0) jump= -0.421276 0.396467 0.815684 0.00032352 -80.7202 43.1324 -296.659 # jumping subtree containing T0136:G 289 (78) jump= 0.666469 0.5982 0.443778 0.0322172 128.446 -137.89 -141.594 # jumping subtree containing T0136:G 289 (78) jump= -0.56915 0.250636 -0.261243 0.738242 87.1659 -57.1038 -51.6025 # jumping subtree containing T0136:A 297 (86) jump= 0.505646 0.752788 -0.184367 -0.379 -91.0358 -125.511 -133.028 # jumping subtree containing T0136:G 286 (75) jump= 0.999992 -0.000737954 0.00275043 -0.00262918 -1.15423 7.9882 23.6044 # generation 91: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7129 cost/residue, 196 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 446 ## TwoFragment 7 ## CrossOver 184 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 793 ## OptSubtree 795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 252 (41) jump= 0.743684 -0.379845 0.50054 -0.22828 172.555 53.6658 -117.652 # jumping subtree containing T0136:S 273 (62) jump= 0.916884 -0.00746892 -0.358013 0.176334 -137.336 -23.4741 -59.7401 # jumping subtree containing T0136:G 289 (78) jump= 0.574656 0.607348 -0.104355 -0.538525 -146.694 -133.653 -113.093 # jumping subtree containing T0136:E 239 (28) jump= 0.329933 0.0297037 -0.723071 -0.60616 -42.2083 94.0572 -119.272 # jumping subtree containing T0136:S 253 (42) jump= 0.113487 0.499641 -0.827242 -0.230542 -52.5259 30.8227 -275.047 # jumping subtree containing T0136:V 266 (55) jump= -0.74662 -0.0650593 0.594084 -0.292215 -155.634 -72.616 -136.16 # generation 92: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7129 cost/residue, 196 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 188 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 803 ## OptSubtree 806 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 286 (75) jump= 0.957725 -0.272688 0.0913166 -0.00808262 16.6344 52.8952 -56.3114 # jumping subtree containing T0136:S 253 (42) jump= 0.564003 0.178176 -0.186909 -0.784359 -46.6873 6.85363 -4.84266 # jumping subtree containing T0136:E 239 (28) jump= 0.947818 0.162118 -0.179265 0.207899 -47.865 -70.3326 -40.7788 # jumping subtree containing T0136:G 289 (78) jump= -0.795366 0.181375 -0.564842 0.124293 155.729 10.0893 -149.242 # jumping subtree containing T0136:Y 312 (101) jump= 0.68996 -0.225897 0.551683 -0.410575 168.101 -3.8958 -120.515 # generation 93: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7129 cost/residue, 196 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 188 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 823 ## OptSubtree 821 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.858017 -0.255507 0.441827 0.0575457 113.395 70.3119 -121.2 # jumping subtree containing T0136:G 289 (78) jump= -0.0270195 -0.0652173 0.251648 0.965241 39.9313 35.7877 5.97978 # jumping subtree containing T0136:W 302 (91) jump= 0.999233 -0.0344652 0.0104456 -0.0153991 26.4082 11.5169 2.2364 # jumping subtree containing T0136:A 248 (37) jump= -0.303166 0.736349 -0.589952 0.133557 67.7303 32.0301 -293.537 # jumping subtree containing T0136:A 313 (102) jump= 0.904123 0.143818 0.39784 0.0600114 69.9983 -26.6936 -41.8246 # generation 94: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7129 cost/residue, 196 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 192 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 825 ## OptSubtree 842 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.999521 -0.0287591 0.00637708 0.00946008 15.956 1.38842 14.1364 # jumping subtree containing T0136:V 211 (0) jump= -0.776896 -0.0590152 -0.620492 -0.0891055 166.738 18.3872 -87.8445 # jumping subtree containing T0136:E 239 (28) jump= -0.906264 -0.417119 -0.0049293 -0.0683551 7.26193 -120.296 -13.8787 # generation 95: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7129 cost/residue, 196 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 196 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 830 ## OptSubtree 858 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.402023 -0.184879 -0.384482 -0.810167 90.1156 87.9092 -53.5582 # jumping subtree containing T0136:S 273 (62) jump= -0.998785 0.00932073 -0.0388081 -0.0288982 23.02 1.24746 11.5826 # jumping subtree containing T0136:G 289 (78) jump= -0.638496 0.121793 0.748273 -0.132578 -180.228 -16.5019 -189.541 # jumping subtree containing T0136:E 239 (28) jump= 0.870713 -0.359819 0.320907 -0.096996 79.5485 78.5903 -93.0663 # generation 96: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7129 cost/residue, 196 clashes 0.0177678 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 201 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 830 ## OptSubtree 877 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 273 (62) jump= -0.983487 0.116936 -0.0236095 -0.136097 -8.22106 26.8287 -25.2872 # jumping subtree containing T0136:A 248 (37) jump= -0.343128 0.829068 -0.295854 -0.327687 -47.5728 59.7066 -212.273 # jumping subtree containing T0136:G 289 (78) jump= 0.695655 -0.213116 0.139468 -0.67171 83.023 15.3535 -44.1646 # jumping subtree containing T0136:A 248 (37) jump= 0.768694 0.172798 -0.100243 -0.60762 -19.326 -6.97941 -5.33418 # generation 97: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7128 cost/residue, 196 clashes 0.017768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 201 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 832 ## OptSubtree 899 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.961585 0.0851977 0.0494644 0.256219 -3.12342 15.4404 -15.284 # jumping subtree containing T0136:G 286 (75) jump= 0.999386 0.0319084 0.00766399 0.0122856 22.3818 -4.99879 -16.496 # jumping subtree containing T0136:G 289 (78) jump= 0.0825915 0.170146 0.79304 -0.579065 -24.5789 -158.12 -216.062 # jumping subtree containing T0136:V 211 (0) jump= -0.18685 0.618959 -0.667428 -0.369481 -24.1432 114.034 -237.465 # jumping subtree containing T0136:S 253 (42) jump= -0.526137 -0.14504 0.43902 0.713726 -91.9899 80.337 -42.0055 # generation 98: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7128 cost/residue, 196 clashes 0.017768 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 207 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 832 ## OptSubtree 917 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 239 (28) jump= 0.91531 -0.180817 -0.359845 -0.00494996 -112.306 38.4628 -96.351 # jumping subtree containing T0136:A 229 (18) jump= 0.441862 0.247939 -0.0774775 -0.858651 -50.4826 -57.2583 -23.6737 # jumping subtree containing T0136:G 289 (78) jump= 0.21231 0.599925 0.770098 0.0443171 89.7138 -36.5326 -298.58 # jumping subtree containing T0136:E 239 (28) jump= 0.531545 0.104373 0.221449 0.81088 36.9408 -24.1851 -2.5702 # jumping subtree containing T0136:G 289 (78) jump= -0.189693 0.364098 0.282639 -0.866928 -153.873 -108.654 -92.3525 # jumping subtree containing T0136:V 272 (61) jump= -0.98135 0.125118 -0.0427281 0.139541 5.00194 19.2917 -2.37606 # generation 99: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7128 cost/residue, 196 clashes 0.0177677 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 211 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 835 ## OptSubtree 934 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 253 (42) jump= 0.998183 0.0512928 0.0291678 -0.0122263 6.83131 -42.0249 -9.13836 # jumping subtree containing T0136:V 211 (0) jump= 0.468579 -0.154356 -0.688625 0.531416 -160.423 -99.6886 -167.838 # jumping subtree containing T0136:G 286 (75) jump= 0.838995 0.428736 0.0698762 0.327706 37.1518 -88.8296 -46.4705 # jumping subtree containing T0136:D 285 (74) jump= 0.529301 0.522407 0.183075 0.642973 124.783 -67.2605 -107.276 # jumping subtree containing T0136:A 238 (27) jump= -0.996585 -0.0383354 -0.00714541 -0.0727794 -7.5078 -33.172 -5.14795 # jumping subtree containing T0136:S 273 (62) jump= 0.481792 -0.109229 -0.107583 -0.862769 18.0813 12.0777 8.64746 # jumping subtree containing T0136:G 289 (78) jump= 0.999998 -0.00175359 -0.000645396 -0.000395101 -5.40001 -12.555 -5.98538 # jumping subtree containing T0136:A 248 (37) jump= -0.8909 -0.197112 -0.12272 0.390365 21.5564 -72.4282 -12.5784 # generation 100: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.7127 cost/residue, 196 clashes 0.0177679 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 448 ## TwoFragment 7 ## CrossOver 215 ## CrossAndInsert 47 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 836 ## OptSubtree 955 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_908951468.pdb -s /projects/compbio/tmp/to_scwrl_908951468.seq -o /projects/compbio/tmp/from_scwrl_908951468.pdb -a /projects/compbio/tmp/from_scwrl_908951468_a.pdb -b /projects/compbio/tmp/from_scwrl_908951468_b.pdb > /projects/compbio/tmp/scwrl_908951468.log # T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 63.652 cost/residue 196 clashes 0.0177679 breaks # iteration 14 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA at pool[11] 74.5062 cost/residue, 296 clashes 0.0696739 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 73.0594 cost/residue, 211 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 3 ## InsertFragment 21 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 2 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 72.3287 cost/residue, 183 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 40 ## TwoFragment 3 ## CrossOver 1 ## CrossAndInsert 3 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 71.1755 cost/residue, 191 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 60 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 3 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.6548 cost/residue, 202 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 80 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.4677 cost/residue, 195 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 92 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 226 (15) jump= 0.321113 0.117691 -0.919341 0.194546 7.44109 -9.78541 11.1771 # jumping subtree containing T0136:V 211 (0) jump= 0.909193 -0.382296 -0.14981 0.0690967 -5.2244 -5.34982 10.4182 # generation 6: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.1614 cost/residue, 211 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 105 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 70.0618 cost/residue, 237 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 33 ## InsertFragment 118 ## TwoFragment 7 ## CrossOver 2 ## CrossAndInsert 12 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.7798 cost/residue, 240 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 132 ## TwoFragment 8 ## CrossOver 3 ## CrossAndInsert 13 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 9 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 63 # generation 9: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 69.3745 cost/residue, 220 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 140 ## TwoFragment 8 ## CrossOver 3 ## CrossAndInsert 16 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 14 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # generation 10: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.7531 cost/residue, 209 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 154 ## TwoFragment 9 ## CrossOver 3 ## CrossAndInsert 17 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 18 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 236 (25) jump= 0.932582 -0.0828591 -0.327501 0.127155 1.87111 2.08382 -13.8498 # generation 11: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.2738 cost/residue, 199 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 167 ## TwoFragment 9 ## CrossOver 3 ## CrossAndInsert 18 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 21 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.2738 cost/residue, 199 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 180 ## TwoFragment 9 ## CrossOver 3 ## CrossAndInsert 19 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 23 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.467433 -0.220793 0.13729 0.844931 -4.73546 49.5801 -4.75437 # jumping subtree containing T0136:V 211 (0) jump= 0.287501 -0.128025 0.573665 0.756215 -40.6659 -62.2758 25.2721 # generation 13: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.1011 cost/residue, 209 clashes 0.00735987 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 188 ## TwoFragment 9 ## CrossOver 5 ## CrossAndInsert 20 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 25 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 77 # generation 14: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 68.0633 cost/residue, 206 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 197 ## TwoFragment 9 ## CrossOver 6 ## CrossAndInsert 21 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 30 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 95 # Removing break before 36 # generation 15: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.7382 cost/residue, 208 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 204 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 23 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 35 ## OptSubtree 43 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 254 (43) jump= -0.176107 0.695456 0.657547 0.230127 11.5409 1.08382 18.2899 # generation 16: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.7382 cost/residue, 208 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 213 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 23 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 43 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.2267 cost/residue, 205 clashes 0.00697723 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 219 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 23 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 52 ## OptSubtree 58 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:V 211 (0) jump= -0.0861128 -0.467693 0.141258 -0.868271 41.5653 -10.6994 -31.9967 # generation 18: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 67.1618 cost/residue, 171 clashes 0.00697723 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 223 ## TwoFragment 9 ## CrossOver 7 ## CrossAndInsert 23 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 63 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.66193 0.486679 -0.561693 -0.0974362 24.4788 12.7335 -0.633849 # jumping subtree containing T0136:A 248 (37) jump= -0.377834 -0.109513 -0.520864 -0.757594 -7.74556 -20.7885 22.1808 # generation 19: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.9542 cost/residue, 225 clashes 0.00697721 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 230 ## TwoFragment 9 ## CrossOver 8 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 69 ## OptSubtree 76 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:A 248 (37) jump= 0.988965 -0.141627 0.0429623 0.00667059 -9.18245 -5.70085 -25.1875 # generation 20: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.6348 cost/residue, 170 clashes 0.01003 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 235 ## TwoFragment 9 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 73 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.617839 -0.348943 0.375754 -0.596089 -12.0673 -24.835 -5.15172 # jumping subtree containing T0136:S 273 (62) jump= -0.941184 0.210501 -0.14863 -0.218565 -18.6424 -11.5095 21.4247 # jumping subtree containing T0136:A 248 (37) jump= 0.454467 0.633257 -0.0545687 -0.624073 42.3411 -9.02108 11.59 # generation 21: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.6348 cost/residue, 170 clashes 0.01003 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 238 ## TwoFragment 9 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 86 ## OptSubtree 98 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.25665 0.534031 -0.114129 -0.797443 34.0568 2.13528 21.7512 # jumping subtree containing T0136:G 222 (11) jump= -0.346373 0.798091 0.24168 -0.42973 -6.47444 -5.36494 24.8006 # jumping subtree containing T0136:A 310 (99) jump= -0.859601 0.335937 0.272927 -0.271559 -8.9688 -8.23557 -2.95947 # Removing break moved up 3 to before 40 # generation 22: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.5929 cost/residue, 173 clashes 0.01003 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 241 ## TwoFragment 9 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 91 ## OptSubtree 117 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:K 249 (38) jump= -0.77647 0.592409 0.185014 -0.109163 13.129 -17.9579 -16.5694 # Removing break moved up 3 to before 40 # Removing break moved up 3 to before 40 # generation 23: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2806 cost/residue, 203 clashes 0.0176732 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 242 ## TwoFragment 9 ## CrossOver 11 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 101 ## OptSubtree 128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:V 211 (0) jump= 0.646449 -0.368238 0.634346 -0.210021 13.9465 4.17882 -2.89839 # jumping subtree containing T0136:V 211 (0) jump= -0.530625 -0.470464 0.587533 0.389751 -15.515 -21.7887 48.5113 # generation 24: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2806 cost/residue, 203 clashes 0.0176732 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 243 ## TwoFragment 9 ## CrossOver 11 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 107 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= 0.873543 0.418022 -0.0490766 -0.244483 2.14177 -1.32996 -8.43377 # jumping subtree containing T0136:V 211 (0) jump= 0.650825 -0.605854 -0.203632 -0.409759 11.6816 -24.0613 -10.8809 # Removing break moved up 3 to before 40 # Removing break moved up 3 to before 40 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:D 219 (8) jump= 0.578988 0.666813 0.163164 -0.439899 12.0686 22.6589 21.6136 # Removing break moved up 3 to before 40 # generation 25: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.2806 cost/residue, 203 clashes 0.0176732 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 247 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 114 ## OptSubtree 156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 216 (5) jump= -0.126076 -0.248663 -0.847084 -0.45246 9.16773 -5.49757 25.3397 # jumping subtree containing T0136:N 267 (56) jump= 0.98189 0.145029 -0.120503 -0.0183812 14.8678 7.73552 16.593 # generation 26: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.164 cost/residue, 204 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 248 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 122 ## OptSubtree 173 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.076399 0.00636838 -0.895883 0.437625 33.5294 16.9223 52.9097 # jumping subtree containing T0136:V 211 (0) jump= 0.559228 0.71231 0.411426 0.102987 0.93442 -30.1172 36.8364 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:R 279 (68) jump= -0.99133 -0.0874188 0.0510694 0.0837593 11.3691 -6.04957 7.59354 # generation 27: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.164 cost/residue, 204 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 249 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 134 ## OptSubtree 182 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:R 279 (68) jump= 0.928287 -0.12816 0.296021 0.185012 9.05636 -37.5058 13.1807 # jumping subtree containing T0136:V 266 (55) jump= -0.913099 0.218739 -0.323475 0.117337 -20.2811 9.17061 -1.37738 # Removing break moved up 3 to before 40 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:R 279 (68) jump= 0.206997 -0.200354 -0.670768 0.683433 20.6179 21.1417 18.7473 # generation 28: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.164 cost/residue, 204 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 250 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 145 ## OptSubtree 196 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.864387 0.221262 -0.0568891 -0.447932 31.8099 -0.118694 9.62354 # jumping subtree containing T0136:R 279 (68) jump= 0.548757 0.741289 0.237193 0.305115 -14.1824 42.0351 -5.84102 # jumping subtree containing T0136:R 279 (68) jump= 0.669505 0.134653 0.376523 -0.625989 0.36943 43.4521 13.5356 # jumping subtree containing T0136:E 220 (9) jump= -0.0713808 -0.435459 0.836565 0.324714 24.5465 -17.68 30.6804 # jumping subtree containing T0136:A 248 (37) jump= 0.283799 0.409711 0.319077 -0.806092 -8.99625 -15.3328 11.601 # jumping subtree containing T0136:T 217 (6) jump= 0.701767 -0.617366 -0.256603 0.246043 28.7364 -31.45 -1.96423 # generation 29: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 66.0889 cost/residue, 206 clashes 0.0130342 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 251 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 153 ## OptSubtree 211 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 295 (84) jump= -0.985553 0.0581101 -0.101168 -0.122772 26.4392 3.40049 -17.6305 # jumping subtree containing T0136:A 248 (37) jump= 0.997115 -0.0249316 0.0434504 -0.0570207 -11.5138 -26.5693 -5.90856 # Removing break before 37 # jumping subtree containing T0136:R 279 (68) jump= 0.55983 0.0689226 0.628145 0.535979 11.8978 -32.6704 3.57633 # generation 30: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8687 cost/residue, 211 clashes 0.0130342 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 254 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 26 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 161 ## OptSubtree 223 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:R 293 (82) jump= -0.00294157 0.0334935 0.450284 -0.892252 -24.0676 56.702 31.8588 # jumping subtree containing T0136:R 279 (68) jump= -0.902734 -0.0757967 -0.379673 -0.187551 14.3805 -16.67 -17.1812 # jumping subtree containing T0136:V 211 (0) jump= -0.574533 0.644229 -0.225733 -0.451581 60.5594 11.9131 45.1313 # jumping subtree containing T0136:R 279 (68) jump= 0.252637 -0.246201 0.876317 0.328068 5.55808 -5.18332 19.3681 # jumping subtree containing T0136:V 211 (0) jump= -0.38823 -0.396714 0.49156 -0.671017 2.52199 3.54238 5.79782 # jumping subtree containing T0136:A 218 (7) jump= -0.762035 0.00535635 -0.09558 0.640421 1.92215 33.2426 13.1242 # jumping subtree containing T0136:R 279 (68) jump= 0.936293 -0.316918 0.0122575 0.15089 11.594 -15.5736 26.1579 # jumping subtree containing T0136:R 279 (68) jump= 0.972809 -0.0444555 -0.174401 0.145777 35.8626 0.733167 12.0829 # jumping subtree containing T0136:A 248 (37) jump= -0.0149039 0.0935274 -0.964928 -0.244836 13.5126 -44.2277 64.8707 # jumping subtree containing T0136:R 279 (68) jump= -0.470353 -0.586362 0.417946 0.510166 18.9078 38.7997 -16.6206 # jumping subtree containing T0136:A 248 (37) jump= 0.940024 0.280956 -0.18677 0.0503495 7.25224 1.08499 -12.8708 # generation 31: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8655 cost/residue, 211 clashes 0.0130342 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 254 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 27 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 172 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:R 279 (68) jump= 0.887277 -0.139241 0.234207 0.372153 31.0269 -7.61765 13.1043 # jumping subtree containing T0136:V 211 (0) jump= -0.464569 0.388629 0.605605 0.516126 -51.7311 -21.5355 59.775 # jumping subtree containing T0136:K 288 (77) jump= -0.181408 0.206339 -0.076231 0.958491 -16.9562 66.5793 20.742 # generation 32: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8192 cost/residue, 168 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 258 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 28 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 182 ## OptSubtree 257 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.784347 0.454452 0.421855 -0.0176242 3.46471 -15.7101 9.98734 # jumping subtree containing T0136:R 279 (68) jump= 0.933663 0.268696 -0.227102 -0.0670832 35.4716 13.311 9.15174 # jumping subtree containing T0136:V 211 (0) jump= -0.0726579 0.755074 0.334829 0.558993 -39.0447 63.7634 62.238 # jumping subtree containing T0136:A 248 (37) jump= -0.521093 0.213208 -0.818376 0.115173 11.3982 22.6293 60.0267 # jumping subtree containing T0136:V 211 (0) jump= 0.911306 0.207474 0.174378 -0.309949 -46.4217 27.1251 -13.7651 # jumping subtree containing T0136:V 300 (89) jump= -0.179088 -0.891959 -0.149287 0.387363 9.95285 47.0774 33.9861 # jumping subtree containing T0136:R 279 (68) jump= 0.974308 0.143766 0.148011 -0.0902706 -18.9252 -18.356 -1.01463 # generation 33: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8192 cost/residue, 168 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 258 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 28 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 196 ## OptSubtree 275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.999268 -0.00123219 0.0231342 0.030435 10.2801 -6.73929 -5.81475 # jumping subtree containing T0136:R 279 (68) jump= 0.426903 0.87011 0.1804 0.167685 -8.12011 39.8772 -25.8538 # jumping subtree containing T0136:A 218 (7) jump= 0.229112 -0.777643 0.05306 -0.583064 -22.3313 125.486 44.8474 # jumping subtree containing T0136:R 279 (68) jump= 0.995559 -0.0121205 -0.0914255 0.0188871 17.9276 -12.4055 3.63749 # jumping subtree containing T0136:R 279 (68) jump= -0.981646 0.13406 0.0227519 0.133724 -13.048 2.60226 -16.3408 # generation 34: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.8192 cost/residue, 168 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 258 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 28 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 210 ## OptSubtree 292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 308 (97) jump= -0.051863 0.636842 0.104763 -0.76208 -59.2777 47.0505 -52.3536 # jumping subtree containing T0136:D 240 (29) jump= 0.286083 -0.188237 -0.910241 0.232777 -56.0513 3.83577 31.8003 # jumping subtree containing T0136:T 217 (6) jump= 0.176838 0.478455 0.680822 0.525634 -2.15646 5.4376 -19.0627 # jumping subtree containing T0136:R 279 (68) jump= 0.557875 -0.0225623 -0.270011 -0.784449 -7.65588 48.3824 5.12879 # generation 35: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3745 cost/residue, 159 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 261 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 29 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 218 ## OptSubtree 304 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.622567 0.0382978 0.568183 0.536761 -5.87001 12.8496 13.4 # jumping subtree containing T0136:K 298 (87) jump= -0.00962756 -0.601199 0.798998 0.00831659 19.5746 -15.2403 72.4711 # jumping subtree containing T0136:K 298 (87) jump= 0.862307 0.139239 -0.12256 -0.471189 -11.8386 13.4913 -13.4946 # jumping subtree containing T0136:V 237 (26) jump= -0.316255 0.462695 -0.815844 0.142459 -33.0369 -36.291 33.6247 # jumping subtree containing T0136:K 298 (87) jump= -0.599845 0.498027 -0.515847 -0.355046 14.6296 22.617 14.158 # generation 36: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.359 cost/residue, 169 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 263 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 30 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 229 ## OptSubtree 316 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.586582 0.243787 0.769454 -0.0665562 -25.4417 23.1046 9.35035 # jumping subtree containing T0136:E 239 (28) jump= 0.87648 0.065284 -0.373788 -0.296317 -4.43407 9.26727 21.7611 # jumping subtree containing T0136:T 217 (6) jump= 0.970555 0.159259 -0.036268 -0.177042 14.2012 -4.77065 12.3527 # jumping subtree containing T0136:A 244 (33) jump= 0.413786 -0.749298 0.270062 -0.440908 -9.97228 -25.2562 18.6791 # jumping subtree containing T0136:T 217 (6) jump= -0.606361 -0.71587 0.346168 0.00481828 -8.90177 26.26 22.4044 # jumping subtree containing T0136:R 279 (68) jump= 0.270015 -0.843252 -0.0206886 -0.464317 -2.85742 42.0616 -14.0889 # jumping subtree containing T0136:K 250 (39) jump= 0.559465 -0.479857 -0.117803 0.665476 4.82801 2.32595 -6.43452 # generation 37: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 65.3151 cost/residue, 160 clashes 0.00729527 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 264 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 30 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 239 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.933297 0.283327 -0.138983 0.171365 8.62004 25.7656 -29.7452 # jumping subtree containing T0136:T 217 (6) jump= -0.761713 0.598443 -0.0240064 -0.247148 15.6475 4.90817 35.6365 # jumping subtree containing T0136:R 279 (68) jump= -0.773603 -0.362762 0.517126 -0.0502255 14.3994 8.79972 -0.312913 # jumping subtree containing T0136:T 217 (6) jump= 0.989317 0.0869572 -0.103308 0.0549424 -14.2959 9.33764 -1.77177 # jumping subtree containing T0136:R 279 (68) jump= -0.998222 0.0147533 0.0129686 -0.0562721 -10.1512 10.1958 -9.51803 # jumping subtree containing T0136:R 279 (68) jump= 0.107617 -0.00674626 0.986131 0.126171 10.3814 12.669 -1.81453 # jumping subtree containing T0136:T 217 (6) jump= -0.480838 0.0114581 0.832747 0.274218 -7.963 -14.228 18.9368 # jumping subtree containing T0136:I 284 (73) jump= 0.223278 -0.303016 -0.816728 0.437361 -52.7252 7.03684 -28.6479 # generation 38: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9908 cost/residue, 135 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 269 ## TwoFragment 9 ## CrossOver 14 ## CrossAndInsert 31 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 245 ## OptSubtree 356 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= 0.159012 -0.33725 -0.636573 0.675094 49.799 41.8695 52.4992 # jumping subtree containing T0136:A 248 (37) jump= 0.159553 -0.424604 0.0620522 0.889046 -7.85335 49.2039 5.76859 # jumping subtree containing T0136:A 248 (37) jump= 0.0329346 -0.962861 -0.227857 0.141047 11.6634 51.5382 -19.677 # jumping subtree containing T0136:T 217 (6) jump= 0.339341 -0.420705 0.0995839 0.835427 9.4325 58.6045 -17.2309 # jumping subtree containing T0136:R 279 (68) jump= -0.633746 0.0945745 0.235495 -0.730729 5.84293 31.5059 -7.2231 # jumping subtree containing T0136:R 279 (68) jump= -0.824655 0.561771 0.0647755 0.0127427 -6.60354 -16.0735 41.4047 # jumping subtree containing T0136:R 279 (68) jump= -0.710547 -0.679888 -0.165957 0.0730361 -14.7864 44.7076 -20.0727 # jumping subtree containing T0136:A 248 (37) jump= 0.223128 -0.216234 0.770406 0.556715 -53.35 -10.6872 14.3884 # jumping subtree containing T0136:R 279 (68) jump= -0.607712 0.0642064 0.0325647 0.790887 -27.794 51.8698 1.47821 # generation 39: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.9906 cost/residue, 135 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 269 ## TwoFragment 9 ## CrossOver 15 ## CrossAndInsert 31 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 262 ## OptSubtree 374 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.701728 -0.106319 -0.285488 -0.644027 9.54886 -17.7506 15.6234 # jumping subtree containing T0136:E 214 (3) jump= 0.203818 0.428058 0.639227 -0.605486 -43.3978 64.4619 36.6207 # jumping subtree containing T0136:R 279 (68) jump= -0.830149 -0.379546 -0.371278 0.170147 -3.55118 34.1836 -10.0416 # Removing break before 37 # generation 40: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7491 cost/residue, 145 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 271 ## TwoFragment 9 ## CrossOver 15 ## CrossAndInsert 31 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 272 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= 0.939351 -0.149686 0.3061 0.038938 19.462 -15.7661 -9.67131 # jumping subtree containing T0136:R 279 (68) jump= -0.548116 0.189621 0.169629 -0.796767 -42.2127 12.3331 -17.7034 # jumping subtree containing T0136:A 248 (37) jump= 0.93066 0.364926 0.00346846 0.0262414 -2.56029 5.21007 19.9207 # jumping subtree containing T0136:A 248 (37) jump= 0.455884 -0.227359 0.0467638 -0.859239 -3.78206 13.7682 -2.17021 # jumping subtree containing T0136:R 279 (68) jump= -0.783926 -0.0246599 0.115779 0.609465 -22.6615 20.676 5.48168 # jumping subtree containing T0136:V 211 (0) jump= 0.995357 0.0388819 -0.0638123 0.0606622 8.62499 19.4534 -2.78047 # jumping subtree containing T0136:A 248 (37) jump= 0.99097 0.110123 0.025426 -0.0721497 -18.7164 9.4097 -25.5736 # Removing break before 37 # generation 41: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.7491 cost/residue, 145 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 273 ## TwoFragment 9 ## CrossOver 15 ## CrossAndInsert 31 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 276 ## OptSubtree 409 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:D 285 (74) jump= 0.0764072 -0.702574 -0.228719 0.669507 16.7996 -16.1707 2.85671 # jumping subtree containing T0136:A 248 (37) jump= -0.774934 0.30918 -0.363026 0.414846 -11.6814 1.70614 33.7313 # jumping subtree containing T0136:A 248 (37) jump= -0.341246 0.0822445 -0.694646 0.627896 -11.2688 -18.2489 5.78305 # generation 42: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6725 cost/residue, 142 clashes 0.0153548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 274 ## TwoFragment 9 ## CrossOver 15 ## CrossAndInsert 31 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 290 ## OptSubtree 428 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= 0.48526 0.59911 -0.351759 -0.530901 31.761 -15.9621 30.0634 # jumping subtree containing T0136:R 279 (68) jump= 0.919594 0.261201 -0.283791 0.0747285 17.8255 -17.3701 3.1219 # jumping subtree containing T0136:A 248 (37) jump= -0.41282 -0.585913 -0.383527 0.582403 -8.11863 17.3781 -28.4989 # Removing break before 37 # jumping subtree containing T0136:V 211 (0) jump= -0.992525 0.0826293 0.0825686 0.035354 -2.58915 12.8941 -15.6252 # jumping subtree containing T0136:R 279 (68) jump= -0.775011 0.219519 0.331358 -0.491295 0.450876 -8.68082 13.0421 # jumping subtree containing T0136:H 227 (16) jump= 0.705746 0.433047 -0.199826 0.523891 -20.4464 5.13923 -9.94703 # jumping subtree containing T0136:A 248 (37) jump= 0.927971 -0.0128848 -0.350004 0.127286 38.2795 5.84504 30.671 # jumping subtree containing T0136:R 279 (68) jump= 0.746191 0.62655 0.179186 0.136115 -11.4447 22.9555 -11.9714 # generation 43: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.6725 cost/residue, 142 clashes 0.0153548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 274 ## TwoFragment 9 ## CrossOver 16 ## CrossAndInsert 31 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 297 ## OptSubtree 444 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 227 (16) jump= -0.78743 0.304147 -0.0624282 0.532496 -3.83382 26.2588 -8.40699 # jumping subtree containing T0136:A 248 (37) jump= -0.595556 -0.414739 0.624303 -0.28905 6.51041 -6.09441 12.0875 # jumping subtree containing T0136:V 211 (0) jump= 0.802158 -0.31699 0.381467 0.33248 -11.0753 9.82922 -16.0006 # jumping subtree containing T0136:R 279 (68) jump= 0.389529 -0.461201 0.694402 0.39162 -6.89349 -18.2393 28.385 # jumping subtree containing T0136:R 279 (68) jump= 0.00846924 -0.003714 -0.922973 0.384753 -13.1564 1.58423 35.0339 # generation 44: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3138 cost/residue, 179 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 277 ## TwoFragment 9 ## CrossOver 16 ## CrossAndInsert 31 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 310 ## OptSubtree 459 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 40 # jumping subtree containing T0136:R 279 (68) jump= -0.975976 0.137612 -0.143642 0.0888916 10.7887 -16.4702 -22.848 # jumping subtree containing T0136:R 279 (68) jump= -0.583451 0.639309 -0.00314559 0.500858 -10.1724 -11.2698 38.9931 # jumping subtree containing T0136:R 279 (68) jump= -0.784855 0.47532 -0.0256466 -0.396756 26.006 -5.1601 1.47022 # jumping subtree containing T0136:R 279 (68) jump= -0.999106 0.00835385 -0.0259511 0.0323236 -27.5065 -2.59115 9.89108 # jumping subtree containing T0136:R 279 (68) jump= 0.958928 -0.23226 -0.0111962 0.16244 -16.0208 5.09481 5.67508 # jumping subtree containing T0136:T 217 (6) jump= -0.00390166 -0.33419 -0.10944 0.936122 -3.42415 -7.5378 -22.6053 # generation 45: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 64.3138 cost/residue, 179 clashes 0.0109474 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 279 ## TwoFragment 9 ## CrossOver 19 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 320 ## OptSubtree 476 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= 0.996704 -0.050345 0.0631515 0.00758398 -8.14348 4.92389 -10.3861 # jumping subtree containing T0136:P 268 (57) jump= 0.980008 -0.0784763 -0.141628 -0.115616 29.0066 -19.4304 -10.7157 # jumping subtree containing T0136:T 217 (6) jump= 0.846538 -0.491919 -0.194734 -0.0588826 10.1424 -51.3615 12.7825 # jumping subtree containing T0136:A 248 (37) jump= -0.521165 0.775921 -0.354406 -0.0270325 -2.13566 -35.3977 106.248 # generation 46: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.9092 cost/residue, 174 clashes 0.00878908 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 281 ## TwoFragment 9 ## CrossOver 19 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 327 ## OptSubtree 498 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.540923 -0.473463 0.657718 0.225041 45.0133 41.6463 67.5847 # Removing break before 37 # jumping subtree containing T0136:R 279 (68) jump= -0.958051 0.104363 0.265318 0.0292082 21.3991 18.2945 -3.08541 # jumping subtree containing T0136:R 279 (68) jump= -0.626922 -0.255877 -0.202961 -0.707321 -0.562979 -17.3427 -11.4802 # jumping subtree containing T0136:R 279 (68) jump= 0.223812 -0.640859 0.0526612 -0.732417 -20.3055 1.20901 -17.6772 # jumping subtree containing T0136:R 279 (68) jump= -0.543074 -0.494541 0.610493 0.296308 24.8883 24.3816 10.049 # jumping subtree containing T0136:R 279 (68) jump= 0.966001 0.141387 0.0979133 0.193038 17.8652 -2.61394 15.9509 # Removing break before 37 # generation 47: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.9092 cost/residue, 174 clashes 0.00878906 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 283 ## TwoFragment 9 ## CrossOver 19 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 331 ## OptSubtree 516 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.712651 -0.119416 0.0407816 -0.690076 -83.3068 0.984031 17.4074 # Removing break before 37 # jumping subtree containing T0136:A 248 (37) jump= -0.862889 -0.416384 0.0724165 -0.277134 -8.67433 80.8774 -4.48217 # jumping subtree containing T0136:A 248 (37) jump= 0.729623 -0.111817 -0.268978 -0.618707 -42.843 -18.6325 -15.5083 # generation 48: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.907 cost/residue, 165 clashes 0.00878906 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 284 ## TwoFragment 9 ## CrossOver 19 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 345 ## OptSubtree 536 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= 0.986219 -0.0915304 -0.0585734 -0.124755 -2.16435 2.1959 -11.072 # jumping subtree containing T0136:I 284 (73) jump= -0.83877 -0.188096 0.120968 -0.496438 22.2563 77.6786 4.76095 # jumping subtree containing T0136:R 279 (68) jump= 0.960443 -0.0896677 0.263275 0.0139395 -41.3635 -11.5574 20.4341 # jumping subtree containing T0136:R 279 (68) jump= 0.0544366 0.225865 -0.532592 0.813859 -60.1515 55.2133 55.5036 # jumping subtree containing T0136:R 279 (68) jump= 0.791036 -0.0467342 -0.0482123 0.608073 -14.353 25.024 6.31719 # jumping subtree containing T0136:V 211 (0) jump= 0.333536 -0.365286 -0.803056 0.332297 23.6997 48.8003 120.157 # jumping subtree containing T0136:A 226 (15) jump= 0.955855 0.257821 0.140487 -0.0115254 -7.60149 46.0312 -27.2143 # jumping subtree containing T0136:H 227 (16) jump= 0.854278 -0.497199 -0.145743 -0.0419575 16.0733 -30.2165 22.654 # generation 49: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7992 cost/residue, 163 clashes 0.00878903 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 286 ## TwoFragment 9 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 353 ## OptSubtree 558 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= 0.900681 0.403441 -0.119089 0.108754 -1.99655 52.6811 26.1434 # jumping subtree containing T0136:K 288 (77) jump= 0.381491 -0.280864 0.86081 -0.185975 -72.2716 -5.80069 91.1345 # jumping subtree containing T0136:V 211 (0) jump= -0.863939 -0.0943842 -0.123918 0.478901 -16.3338 28.1254 15.1977 # generation 50: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.7992 cost/residue, 163 clashes 0.00878903 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 286 ## TwoFragment 9 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 369 ## OptSubtree 576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= 0.967082 0.00401633 -0.0624373 0.246655 -13.282 18.4208 -6.53004 # jumping subtree containing T0136:A 224 (13) jump= 0.194518 -0.0975513 0.632399 -0.74345 -82.391 72.1351 54.3589 # jumping subtree containing T0136:I 234 (23) jump= -0.56688 0.053297 0.810729 -0.136105 21.5103 -2.58874 94.2706 # generation 51: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.638 cost/residue, 169 clashes 0.00878904 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 287 ## TwoFragment 9 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 375 ## OptSubtree 600 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= -0.928558 0.0516103 -0.232819 0.284449 -44.0551 -28.0538 8.36348 # jumping subtree containing T0136:R 279 (68) jump= -0.800592 -0.454469 0.0178477 -0.390117 10.0724 84.4423 6.35897 # jumping subtree containing T0136:R 279 (68) jump= -0.0998949 -0.827309 0.386749 0.394977 56.6106 27.581 106.832 # jumping subtree containing T0136:A 248 (37) jump= 0.992507 -0.0868116 0.0843227 -0.016823 3.19107 1.30667 25.649 # jumping subtree containing T0136:R 279 (68) jump= 0.99898 0.0141741 -0.0286358 -0.0319134 -0.669831 3.04053 26.4311 # jumping subtree containing T0136:A 248 (37) jump= -0.23045 -0.94617 -0.0196525 -0.226426 0.503448 71.5053 64.0361 # generation 52: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.638 cost/residue, 169 clashes 0.00878903 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 288 ## TwoFragment 9 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 389 ## OptSubtree 615 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.72697 0.622221 0.211133 -0.199443 22.5383 -47.6761 61.21 # Removing break before 37 # jumping subtree containing T0136:T 217 (6) jump= -0.188216 0.889174 -0.416494 0.0218629 -9.79974 -10.5615 93.3296 # jumping subtree containing T0136:R 279 (68) jump= -0.97696 0.0595861 -0.204624 0.0112829 -29.5122 17.0087 1.84525 # jumping subtree containing T0136:V 266 (55) jump= 0.461224 -0.426121 0.196834 0.752961 8.39533 -21.347 26.2079 # jumping subtree containing T0136:R 279 (68) jump= 0.052266 -0.0218347 0.996857 0.0553918 -25.1809 -13.3755 97.8529 # generation 53: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.5823 cost/residue, 169 clashes 0.0178275 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 290 ## TwoFragment 9 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 399 ## OptSubtree 633 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:V 211 (0) jump= 0.973974 0.0957029 0.0978008 -0.180696 -37.8462 2.83435 -18.1819 # jumping subtree containing T0136:R 279 (68) jump= -0.624086 -0.57483 -0.411165 -0.333214 -70.4048 72.004 61.5679 # jumping subtree containing T0136:R 279 (68) jump= -0.646566 -0.0267619 0.310502 -0.696293 -9.48655 80.2595 38.2624 # jumping subtree containing T0136:T 217 (6) jump= -0.999237 -0.00219657 -0.0376887 0.00997092 9.4807 5.08052 -1.09378 # jumping subtree containing T0136:A 248 (37) jump= -0.239701 0.338336 -0.454037 -0.78862 -12.3816 -49.4917 26.6285 # jumping subtree containing T0136:I 296 (85) jump= 0.927323 -0.186997 0.157266 0.283498 -7.19308 -28.2676 17.6271 # Removing break before 37 # generation 54: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.326 cost/residue, 169 clashes 0.013286 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 291 ## TwoFragment 9 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 408 ## OptSubtree 650 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= 0.460707 0.275746 -0.741045 -0.403194 77.8836 -47.8002 128.79 # jumping subtree containing T0136:K 298 (87) jump= 0.827621 0.533839 -0.0287474 -0.170976 0.368832 43.7393 26.4236 # jumping subtree containing T0136:R 279 (68) jump= -0.50982 0.65166 0.560968 -0.0271662 33.5657 -4.54449 152.949 # generation 55: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.326 cost/residue, 169 clashes 0.0132861 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 294 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 419 ## OptSubtree 670 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 298 (87) jump= -0.710707 0.39265 0.232033 0.535614 -47.9919 -64.0942 46.7964 # jumping subtree containing T0136:A 248 (37) jump= 0.838034 -0.434583 -0.327158 -0.0424699 1.58648 -32.535 76.1836 # jumping subtree containing T0136:A 248 (37) jump= 0.999889 0.00470228 0.0139796 -0.00195011 14.9414 -2.84882 -7.27264 # generation 56: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.326 cost/residue, 169 clashes 0.0132859 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 294 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 444 ## OptSubtree 677 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 266 (55) jump= 0.221036 0.637567 0.572628 0.465563 -80.6999 3.49335 76.8159 # jumping subtree containing T0136:Y 290 (79) jump= 0.178926 -0.500301 0.575622 0.621566 -4.01628 -21.1491 17.117 # jumping subtree containing T0136:T 217 (6) jump= 0.963411 -0.206193 -0.0830603 -0.149747 5.14448 -28.5379 20.4783 # jumping subtree containing T0136:R 279 (68) jump= -0.549472 0.304828 -0.651421 -0.425219 -61.4425 -31.961 34.5499 # jumping subtree containing T0136:S 264 (53) jump= -0.459939 0.494667 -0.733772 0.0730768 -78.2719 -37.6318 87.5223 # Removing break before 6 # jumping subtree containing T0136:A 248 (37) jump= -0.753311 -0.155415 -0.578442 -0.271612 -93.626 16.053 26.7902 # jumping subtree containing T0136:A 248 (37) jump= 0.910476 -0.257695 -0.0466634 0.320077 45.1116 15.4491 34.8615 # jumping subtree containing T0136:T 217 (6) jump= -0.999019 -0.0218879 0.0327061 0.0202911 -21.0934 10.8921 -7.9909 # jumping subtree containing T0136:R 279 (68) jump= 0.280786 0.380406 0.0438098 -0.880075 -8.24548 33.92 24.7599 # generation 57: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.2081 cost/residue, 163 clashes 0.0490387 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 295 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 454 ## OptSubtree 694 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:R 279 (68) jump= 0.3754 0.100986 -0.878073 -0.279042 1.00231 -32.7142 147.363 # jumping subtree containing T0136:A 248 (37) jump= -0.0166343 0.896485 -0.242662 -0.370341 15.8824 -24.7674 124.468 # jumping subtree containing T0136:R 279 (68) jump= 0.867851 0.349132 0.0408907 0.351097 -15.3349 90.5835 9.56942 # jumping subtree containing T0136:A 248 (37) jump= 0.954776 -0.165873 -0.218961 0.11378 42.7675 -4.19983 33.6999 # jumping subtree containing T0136:A 248 (37) jump= -0.222969 0.866854 -0.430234 0.117254 -25.1425 -23.9622 122.925 # jumping subtree containing T0136:R 279 (68) jump= -0.167294 0.699153 0.68556 0.114916 -44.0288 9.94371 154.873 # generation 58: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 63.208 cost/residue, 163 clashes 0.0490385 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 295 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 467 ## OptSubtree 710 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.993933 0.102286 0.017522 0.0364497 15.707 -35.2747 20.8152 # jumping subtree containing T0136:A 248 (37) jump= 0.749862 0.338814 -0.187497 0.53643 17.2155 49.4266 37.3699 # jumping subtree containing T0136:G 311 (100) jump= 0.660881 0.733286 0.146331 0.0641451 -44.2504 125.384 38.9073 # jumping subtree containing T0136:V 211 (0) jump= 0.997441 0.000777723 -0.0564254 -0.0438973 16.2095 -9.51631 19.6948 # generation 59: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6977 cost/residue, 159 clashes 0.061322 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 297 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 479 ## OptSubtree 726 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.752586 0.37619 -0.511411 0.174797 -57.0499 -43.0281 96.1183 # jumping subtree containing T0136:E 239 (28) jump= 0.470714 -0.245383 0.84239 -0.0927031 -34.2259 -1.26223 159.151 # jumping subtree containing T0136:A 248 (37) jump= -0.990628 0.0852044 -0.100696 -0.0354362 -5.67686 -7.20663 13.8876 # Removing break before 100 # jumping subtree containing T0136:R 279 (68) jump= -0.830357 0.460056 0.142805 -0.280111 37.0931 -17.5741 60.6256 # jumping subtree containing T0136:T 217 (6) jump= 0.317054 0.788039 -0.125112 -0.512659 66.3304 97.5919 90.5286 # generation 60: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6977 cost/residue, 159 clashes 0.0613218 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 300 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 488 ## OptSubtree 748 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= 0.426757 -0.331089 -0.229826 -0.809592 -94.2695 -25.956 26.9038 # jumping subtree containing T0136:N 259 (48) jump= -0.263734 -0.890873 -0.131527 -0.345673 -70.7072 98.3173 134.834 # jumping subtree containing T0136:G 289 (78) jump= 0.0623839 0.022822 0.414416 -0.90766 -43.3582 111.099 31.8618 # jumping subtree containing T0136:G 311 (100) jump= -0.71821 -0.0102947 0.578983 0.385807 54.361 -15.5027 18.5986 # generation 61: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6976 cost/residue, 159 clashes 0.0613218 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 300 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 501 ## OptSubtree 768 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= -0.939906 0.286673 -0.118268 -0.142858 -8.10058 -29.9529 23.6967 # jumping subtree containing T0136:T 217 (6) jump= 0.988522 -0.104434 -0.10896 -0.00670249 20.5781 0.149743 16.2961 # jumping subtree containing T0136:G 311 (100) jump= 0.952382 -0.187227 -0.152191 -0.186418 -4.11417 -39.1012 48.8992 # jumping subtree containing T0136:G 311 (100) jump= 0.06104 0.234424 -0.961291 -0.131299 -15.4 -8.71863 153.1 # jumping subtree containing T0136:R 279 (68) jump= -0.748832 -0.569566 0.269192 -0.205865 29.5425 105.063 69.6131 # jumping subtree containing T0136:R 279 (68) jump= 0.612655 -0.0981067 -0.290947 0.728271 50.6097 52.2441 15.9909 # jumping subtree containing T0136:D 240 (29) jump= -0.557612 0.071676 -0.106482 0.820118 -17.3574 74.9356 -4.13697 # jumping subtree containing T0136:D 280 (69) jump= 0.890166 -0.368625 -0.0754738 -0.256952 -1.22309 -45.2839 59.441 # generation 62: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.6976 cost/residue, 159 clashes 0.0613217 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 300 ## TwoFragment 9 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 510 ## OptSubtree 787 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 280 (69) jump= 0.463544 0.525343 -0.128705 -0.701838 7.13533 52.5226 1.18151 # jumping subtree containing T0136:R 279 (68) jump= 0.912094 0.405394 0.0113428 0.0601 5.03434 65.4412 -18.2663 # jumping subtree containing T0136:G 311 (100) jump= -0.970588 -0.204179 -0.0825756 0.0972217 1.92906 18.7164 -12.3413 # jumping subtree containing T0136:V 211 (0) jump= -0.996579 -0.00556388 0.0474319 -0.067447 -11.7072 7.20365 -13.6803 # jumping subtree containing T0136:T 217 (6) jump= 0.926766 -0.186175 -0.312924 0.0923117 48.2429 -1.82677 23.7906 # jumping subtree containing T0136:Y 312 (101) jump= -0.389104 -0.301752 -0.222497 0.84145 -29.3796 100.849 16.4813 # generation 63: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5919 cost/residue, 156 clashes 0.0718222 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 301 ## TwoFragment 9 ## CrossOver 22 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 519 ## OptSubtree 797 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 274 (63) jump= -0.667117 0.688646 -0.283986 0.00854024 -30.8272 -78.949 135.81 # jumping subtree containing T0136:T 217 (6) jump= 0.779785 -0.0332002 0.623849 0.040559 -62.8652 -14.0034 80.6008 # jumping subtree containing T0136:G 311 (100) jump= 0.590572 0.606488 0.303454 0.437393 -42.3071 78.6162 16.7437 # jumping subtree containing T0136:T 217 (6) jump= -0.421547 0.243828 0.419911 0.765846 -54.5325 -15.6855 40.2299 # jumping subtree containing T0136:G 311 (100) jump= 0.717651 -0.365646 0.179501 -0.564854 -75.7846 -10.0633 62.1128 # jumping subtree containing T0136:G 311 (100) jump= 0.461543 -0.340228 -0.341291 0.74481 30.3075 62.9136 68.2448 # jumping subtree containing T0136:G 311 (100) jump= 0.869631 -0.33461 -0.341193 0.123955 47.5945 -54.0764 74.6609 # jumping subtree containing T0136:V 211 (0) jump= 0.996215 -0.00699065 0.0797454 -0.0338656 -14.6522 10.1725 -5.07094 # jumping subtree containing T0136:D 271 (60) jump= 0.109507 -0.455192 0.438078 -0.767396 -69.5995 98.7649 79.228 # jumping subtree containing T0136:S 264 (53) jump= 0.299641 0.217981 0.904741 -0.210105 -89.2882 42.0228 112.727 # jumping subtree containing T0136:N 269 (58) jump= 0.792512 -0.262427 -0.367031 0.410298 80.3044 -4.68687 73.0658 # generation 64: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5919 cost/residue, 156 clashes 0.071822 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 301 ## TwoFragment 9 ## CrossOver 23 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 526 ## OptSubtree 812 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 256 (45) jump= -0.873178 0.343378 0.144027 0.314495 -40.3878 -57.6003 43.3649 # jumping subtree containing T0136:Y 312 (101) jump= 0.98861 0.0381163 -0.144464 -0.0180752 38.4134 8.92274 -14.5446 # jumping subtree containing T0136:G 311 (100) jump= 0.16814 0.817528 0.149478 -0.530125 82.1941 133.208 130.111 # jumping subtree containing T0136:G 311 (100) jump= -0.392936 0.203933 -0.57314 0.689581 -118.583 70.3987 105.573 # jumping subtree containing T0136:G 311 (100) jump= 0.642118 -0.577111 0.457489 0.212911 -32.5965 -81.3498 136.551 # jumping subtree containing T0136:V 292 (81) jump= -0.445904 0.114916 -0.550862 -0.696071 -51.8773 -25.4829 14.9966 # jumping subtree containing T0136:G 311 (100) jump= 0.814543 0.12714 -0.176949 0.537628 46.9951 66.1902 23.6312 # jumping subtree containing T0136:D 240 (29) jump= 0.79418 0.434136 -0.366269 0.215989 41.2831 92.6537 43.842 # generation 65: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.524 cost/residue, 158 clashes 0.0821278 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 302 ## TwoFragment 9 ## CrossOver 23 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 537 ## OptSubtree 833 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.60896 -0.293732 -0.354516 -0.645916 -70.5037 60.3044 33.5558 # jumping subtree containing T0136:A 248 (37) jump= 0.0941002 0.0976597 -0.487159 0.862719 -32.4887 152.151 111.212 # jumping subtree containing T0136:G 311 (100) jump= 0.284637 0.391722 -0.817084 -0.312906 69.0999 4.21797 155.136 # jumping subtree containing T0136:L 221 (10) jump= 0.819249 0.0375749 0.137969 -0.555324 -57.4692 23.2477 6.71274 # jumping subtree containing T0136:G 289 (78) jump= -0.99885 0.0216324 -0.0188263 0.0384224 14.3282 -20.3658 -12.3107 # generation 66: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5239 cost/residue, 158 clashes 0.082128 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 302 ## TwoFragment 9 ## CrossOver 23 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 549 ## OptSubtree 846 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.77596 -0.329257 0.229438 0.486656 50.2766 -32.8642 55.6017 # jumping subtree containing T0136:E 261 (50) jump= 0.952082 0.0164974 0.231147 0.199596 -27.3078 3.90576 6.25272 # jumping subtree containing T0136:L 221 (10) jump= -0.491311 0.748104 -0.369139 0.25038 -55.3888 31.4432 182.702 # jumping subtree containing T0136:L 252 (41) jump= -0.25199 0.485067 -0.0569977 0.835441 -82.0961 73.0792 44.8139 # jumping subtree containing T0136:D 280 (69) jump= 0.241361 0.195239 0.804133 0.506949 -95.5899 -61.3926 126.696 # jumping subtree containing T0136:A 248 (37) jump= -0.852385 -0.514114 0.0944677 0.0142288 24.5247 76.185 14.1569 # jumping subtree containing T0136:R 279 (68) jump= -0.138717 0.198966 -0.79683 0.553382 -91.0901 102.893 184.064 # jumping subtree containing T0136:R 279 (68) jump= -0.962911 -0.00456791 -0.0474557 0.265575 -25.3152 13.971 27.2026 # generation 67: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5238 cost/residue, 158 clashes 0.082128 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 302 ## TwoFragment 9 ## CrossOver 23 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 558 ## OptSubtree 870 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= 0.652492 -0.421241 0.610868 -0.153791 -95.4727 -6.49998 142.946 # jumping subtree containing T0136:A 248 (37) jump= 0.988483 0.0169607 -0.112833 0.0994102 44.2641 -7.72326 15.6703 # jumping subtree containing T0136:A 248 (37) jump= -0.737051 0.175857 0.649138 -0.0667122 100.068 -31.0875 92.3411 # jumping subtree containing T0136:A 248 (37) jump= 0.884403 -0.199623 -0.375118 0.193049 63.5285 6.67608 82.8786 # jumping subtree containing T0136:R 279 (68) jump= 0.935643 0.305828 0.147577 0.096244 -22.2813 86.5019 -30.4206 # jumping subtree containing T0136:S 264 (53) jump= -0.999269 -0.00172887 -0.035169 0.0148709 -3.7019 16.3711 -7.4313 # generation 68: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5038 cost/residue, 158 clashes 0.0809714 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 303 ## TwoFragment 9 ## CrossOver 25 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 569 ## OptSubtree 881 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 279 (68) jump= -0.3746 0.908658 0.174671 -0.059212 8.25954 10.6621 246.422 # Removing break before 100 # jumping subtree containing T0136:V 211 (0) jump= -0.502785 -0.248209 -0.0744318 -0.824658 -19.8042 88.133 -11.9834 # jumping subtree containing T0136:F 265 (54) jump= 0.758063 -0.173851 -0.413894 0.473083 121.808 53.2699 101.515 # jumping subtree containing T0136:G 289 (78) jump= -0.994039 -0.0696958 -0.0815932 -0.0192876 -2.14812 11.6951 -26.4537 # jumping subtree containing T0136:G 311 (100) jump= 0.204853 0.607308 0.512938 -0.571058 7.2931 184.246 130.132 # jumping subtree containing T0136:G 311 (100) jump= -0.919825 -0.0698255 -0.326666 0.205758 -95.3556 46.4395 18.0544 # generation 69: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5038 cost/residue, 158 clashes 0.0809713 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 304 ## TwoFragment 9 ## CrossOver 25 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 578 ## OptSubtree 895 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 266 (55) jump= 0.648803 -0.170909 -0.611513 -0.419401 44.7542 -16.1728 49.2049 # jumping subtree containing T0136:K 298 (87) jump= -0.215251 -0.818603 0.267798 -0.460261 -43.9204 104.506 166.328 # jumping subtree containing T0136:G 311 (100) jump= 0.95203 0.0774027 0.0527762 0.29131 29.6225 20.0454 -12.7486 # jumping subtree containing T0136:D 242 (31) jump= -0.150861 -0.200814 -0.801266 0.543035 25.788 108.974 165.215 # jumping subtree containing T0136:D 271 (60) jump= 0.257625 0.605811 -0.24873 -0.710462 86.1107 92.6174 32.3205 # jumping subtree containing T0136:L 221 (10) jump= 0.279667 0.237955 -0.876093 0.312451 47.3906 88.4308 198.333 # generation 70: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.5028 cost/residue, 158 clashes 0.0809715 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 304 ## TwoFragment 9 ## CrossOver 26 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 595 ## OptSubtree 915 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 265 (54) jump= -0.0145783 0.97029 -0.22467 0.0885922 13.8461 105.271 193.484 # jumping subtree containing T0136:P 268 (57) jump= 0.983348 0.181666 -0.000151158 0.00484386 3.93411 16.1195 1.03142 # Removing break before 10 # jumping subtree containing T0136:F 236 (25) jump= 0.375833 -0.182164 -0.512768 -0.75009 35.4428 -40.927 -11.1599 # jumping subtree containing T0136:L 221 (10) jump= 0.303402 0.75123 -0.571342 -0.131033 95.7281 79.8573 129.998 # jumping subtree containing T0136:G 289 (78) jump= 0.966797 -0.0809085 -0.108938 0.21654 6.28236 -17.2052 -8.63407 # jumping subtree containing T0136:G 289 (78) jump= -0.802972 -0.266566 -0.519383 -0.120081 -45.6648 -12.9549 51.4602 # jumping subtree containing T0136:N 233 (22) jump= -0.734562 0.13749 -0.640336 0.177439 -37.926 -6.37111 81.2392 # jumping subtree containing T0136:G 311 (100) jump= -0.808947 -0.341996 -0.21444 0.427387 -17.5257 89.9977 29.1923 # jumping subtree containing T0136:P 268 (57) jump= -0.489805 -0.161054 0.83741 -0.181378 109.931 58.2847 165.008 # generation 71: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4822 cost/residue, 163 clashes 0.0762921 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 305 ## TwoFragment 9 ## CrossOver 26 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 599 ## OptSubtree 934 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.785316 -0.496689 0.369159 0.0173556 61.7491 113.38 41.1053 # jumping subtree containing T0136:L 221 (10) jump= -0.228401 0.529504 0.153411 -0.802449 135.289 50.0548 109.639 # jumping subtree containing T0136:R 279 (68) jump= 0.96123 -0.0519774 0.0200963 0.270059 38.8687 -39.4522 17.838 # jumping subtree containing T0136:P 268 (57) jump= 0.504332 -0.750024 -0.396579 0.160742 43.727 -53.176 171.169 # jumping subtree containing T0136:V 266 (55) jump= 0.425782 0.6494 0.478931 -0.409407 0.0598068 121.771 154.851 # jumping subtree containing T0136:V 211 (0) jump= -0.995396 -0.0186764 -0.0530066 -0.0776427 23.8485 -9.13665 6.14174 # generation 72: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4822 cost/residue, 163 clashes 0.0762921 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 305 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 609 ## OptSubtree 952 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= -0.205736 0.938388 0.183336 0.208539 -21.8957 13.3251 165.962 # jumping subtree containing T0136:G 311 (100) jump= 0.0812003 -0.687514 0.461475 -0.554772 -17.1623 75.8555 103.482 # jumping subtree containing T0136:G 311 (100) jump= 0.195654 -0.295631 -0.21172 -0.910767 18.0609 31.0384 3.96866 # jumping subtree containing T0136:G 311 (100) jump= 0.188133 -0.21379 -0.123127 0.950652 96.2326 72.4403 33.7377 # jumping subtree containing T0136:G 311 (100) jump= -0.993218 -0.0442126 -0.0188051 0.105876 -12.7409 25.2556 14.991 # Removing break before 100 # jumping subtree containing T0136:V 211 (0) jump= 0.694929 -0.140569 0.25879 -0.656004 -51.5803 65.2868 48.2111 # jumping subtree containing T0136:P 268 (57) jump= 0.770829 0.110999 -0.0215942 -0.626925 -1.48241 59.6177 12.5203 # jumping subtree containing T0136:G 311 (100) jump= -0.999318 0.0200146 0.0126545 -0.0283366 -6.2998 18.1717 -8.49552 # jumping subtree containing T0136:G 311 (100) jump= 0.998516 -0.000774215 -0.0238203 0.0489729 26.5214 -13.4381 -19.9606 # jumping subtree containing T0136:G 311 (100) jump= 0.631577 0.640572 -0.435389 -0.0348563 56.607 98.6283 76.6283 # generation 73: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4812 cost/residue, 163 clashes 0.0762919 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 305 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 622 ## OptSubtree 975 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= -0.543934 -0.002473 0.447775 -0.709667 99.6795 69.9581 68.2628 # jumping subtree containing T0136:G 311 (100) jump= 0.398084 0.454697 -0.281793 0.745233 61.6475 79.3851 -7.93962 # Removing break before 100 # jumping subtree containing T0136:G 311 (100) jump= -0.956411 0.0599764 -0.0420524 -0.282688 -7.36398 -39.8691 2.9956 # jumping subtree containing T0136:L 221 (10) jump= -0.899418 0.25809 0.28049 -0.213922 54.5107 -56.739 23.8318 # jumping subtree containing T0136:G 311 (100) jump= 0.090013 -0.327046 -0.940657 0.0101328 36.4681 -10.996 127.842 # generation 74: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4349 cost/residue, 170 clashes 0.0612945 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 305 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 632 ## OptSubtree 988 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= -0.827085 0.0800379 0.415899 0.369529 103.175 -30.5739 5.30838 # jumping subtree containing T0136:G 311 (100) jump= 0.997961 -0.0317754 0.041988 -0.0360643 -7.01384 -27.1026 21.6224 # Removing break before 100 # jumping subtree containing T0136:G 289 (78) jump= 0.988674 -0.0184959 -0.142298 -0.0439664 14.8088 -22.5062 -30.3071 # jumping subtree containing T0136:V 211 (0) jump= -0.998566 -0.00309402 0.0516706 -0.0136262 -10.5508 12.6923 16.1134 # jumping subtree containing T0136:G 311 (100) jump= -0.803806 -0.279702 -0.484719 -0.20177 -48.7355 22.1871 56.4742 # jumping subtree containing T0136:R 279 (68) jump= 0.0107899 0.930964 0.35667 -0.0773065 -2.23595 1.39927 176.004 # jumping subtree containing T0136:Y 312 (101) jump= -0.254705 -0.342236 -0.353595 0.832448 90.6695 116.607 78.3336 # jumping subtree containing T0136:P 268 (57) jump= 0.667554 -0.0854531 -0.512019 -0.533767 80.7085 -46.6428 17.1876 # jumping subtree containing T0136:P 268 (57) jump= 0.206406 0.0408912 -0.94374 -0.255105 67.8829 -24.095 100.906 # generation 75: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4349 cost/residue, 170 clashes 0.0612943 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 305 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 645 ## OptSubtree 1006 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.673968 0.255841 -0.683362 -0.11545 -65.2716 -61.5951 133.963 # jumping subtree containing T0136:K 309 (98) jump= 0.494276 0.819889 -0.167472 -0.235427 54.5374 138.748 93.8878 # jumping subtree containing T0136:D 219 (8) jump= -0.862546 -0.0939716 0.372643 0.329121 84.674 10.4852 -14.3336 # jumping subtree containing T0136:P 268 (57) jump= 0.148102 0.594262 -0.384909 -0.690481 100.284 48.6829 39.9271 # jumping subtree containing T0136:V 211 (0) jump= 0.65648 -0.712867 0.0440484 -0.242725 -36.1198 -73.5598 113.988 # jumping subtree containing T0136:G 311 (100) jump= -0.994415 0.0259909 -0.0959962 0.0353359 -11.4333 -3.90734 4.95683 # jumping subtree containing T0136:K 309 (98) jump= 0.613963 0.267096 -0.741439 0.0444688 123.808 29.6107 63.8511 # jumping subtree containing T0136:V 211 (0) jump= -0.0448625 -0.676863 0.709259 0.19182 76.9421 5.2182 195.908 # jumping subtree containing T0136:K 309 (98) jump= 0.975344 0.217101 0.00265643 -0.039554 -22.1713 25.3568 -17.6226 # generation 76: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.4349 cost/residue, 170 clashes 0.0612942 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 305 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 658 ## OptSubtree 1026 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= -0.384788 0.753416 0.450314 -0.285519 54.4499 -25.6604 168.297 # jumping subtree containing T0136:V 211 (0) jump= -0.981864 0.11262 -0.135566 0.0698693 -32.2023 -33.1807 13.0205 # jumping subtree containing T0136:K 309 (98) jump= -0.984032 -0.139613 0.0466627 0.100059 19.024 51.3069 13.1816 # jumping subtree containing T0136:K 309 (98) jump= 0.998533 0.0394186 0.0345109 0.0136483 3.76828 7.01149 0.715118 # jumping subtree containing T0136:V 211 (0) jump= 0.912972 -0.269463 -0.0830363 -0.294918 2.65618 -25.9903 38.469 # jumping subtree containing T0136:K 309 (98) jump= -0.836784 -0.156365 0.50822 -0.130592 144.421 42.9467 48.6873 # jumping subtree containing T0136:K 309 (98) jump= -0.317549 0.555122 0.617213 -0.458311 139.612 29.9706 175.566 # jumping subtree containing T0136:K 309 (98) jump= 0.644051 -0.240907 0.359055 0.631064 52.2434 -50.3458 50.2743 # jumping subtree containing T0136:K 309 (98) jump= -0.675547 0.732262 -0.0834092 0.0216997 -41.1692 -97.3861 151.214 # jumping subtree containing T0136:K 309 (98) jump= 1 -0.000172863 -0.000109508 0.000351453 23.0129 3.25341 -18.49 # jumping subtree containing T0136:R 279 (68) jump= -0.988859 0.0472191 -0.0979489 -0.101653 6.31649 -34.1306 -6.48539 # generation 77: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.3137 cost/residue, 164 clashes 0.0584086 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 307 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 664 ## OptSubtree 1042 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 268 (57) jump= -0.642601 0.26792 -0.655633 -0.292282 -48.0208 -49.8756 134.675 # jumping subtree containing T0136:V 211 (0) jump= 0.919579 0.111814 -0.32683 -0.187228 57.3142 46.7191 13.0328 # jumping subtree containing T0136:V 211 (0) jump= 0.808477 -0.497126 0.106822 -0.296343 -53.989 -27.3669 29.8105 # jumping subtree containing T0136:I 230 (19) jump= 0.158085 0.550058 -0.472304 -0.670354 99.4429 -55.2543 116.723 # generation 78: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.3137 cost/residue, 164 clashes 0.0584088 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 673 ## OptSubtree 1057 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.0591062 -0.450184 -0.884374 0.108277 17.2669 16.1479 137.232 # jumping subtree containing T0136:V 282 (71) jump= 0.81974 0.0352793 -0.381186 -0.426003 28.034 -42.9513 23.1921 # jumping subtree containing T0136:G 289 (78) jump= 0.714624 -0.311425 -0.04845 0.624483 80.8903 -49.6731 12.094 # jumping subtree containing T0136:G 289 (78) jump= 0.932791 0.0345025 -0.198554 0.298808 31.1686 11.0978 -19.7596 # jumping subtree containing T0136:G 311 (100) jump= -0.541148 0.171239 0.604164 0.559305 43.6478 -52.07 7.82261 # jumping subtree containing T0136:G 289 (78) jump= 0.326567 0.451068 0.065687 -0.827995 51.0351 107.396 62.6344 # jumping subtree containing T0136:K 309 (98) jump= -0.682562 0.0265532 -0.0413393 0.729174 12.0501 60.4475 -22.1218 # generation 79: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.3136 cost/residue, 164 clashes 0.0584084 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 682 ## OptSubtree 1079 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.992409 -0.0115889 0.122428 0.00086952 22.2299 -6.49015 -28.5831 # jumping subtree containing T0136:M 228 (17) jump= -0.962766 -0.245875 0.112094 0.00788218 8.24236 56.5214 -22.3057 # jumping subtree containing T0136:P 268 (57) jump= 0.223438 -0.836221 0.00988197 0.500712 115.654 63.0073 218.334 # Removing break before 37 # jumping subtree containing T0136:G 289 (78) jump= 0.960784 -0.241356 -0.0678624 0.118476 54.5952 -45.2194 39.1816 # generation 80: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2727 cost/residue, 162 clashes 0.0563781 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 685 ## OptSubtree 1096 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 211 (0) jump= -0.940186 -0.121294 0.0221192 0.317568 5.01111 65.4376 -12.8524 # jumping subtree containing T0136:G 289 (78) jump= 0.993237 -0.0662353 0.0670896 0.0677605 -13.0329 -25.8284 12.3458 # jumping subtree containing T0136:I 230 (19) jump= 0.0205833 0.156761 0.224779 0.961497 27.5878 63.7879 -28.9192 # jumping subtree containing T0136:G 289 (78) jump= -0.457998 -0.439352 0.16747 -0.754428 35.1287 105.779 1.10845 # jumping subtree containing T0136:G 289 (78) jump= 0.619783 -0.705631 -0.221476 0.262493 72.23 -49.7105 127.31 # jumping subtree containing T0136:V 211 (0) jump= -0.741951 -0.267651 -0.135782 -0.599529 -9.46076 32.4011 -17.5641 # jumping subtree containing T0136:G 311 (100) jump= 0.841703 0.492451 -0.170011 0.14186 26.2497 68.3367 -16.5228 # jumping subtree containing T0136:G 311 (100) jump= 0.978881 0.149289 0.136412 -0.0299379 -34.615 9.31984 -0.502478 # jumping subtree containing T0136:D 280 (69) jump= 0.729612 0.252404 -0.248055 -0.585173 73.3861 31.1384 -5.67314 # jumping subtree containing T0136:P 268 (57) jump= 0.725066 -0.603744 -0.295126 -0.150573 19.7719 -61.0522 100.096 # generation 81: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2726 cost/residue, 162 clashes 0.056378 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 694 ## OptSubtree 1114 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.880532 0.332069 0.337112 -0.0273587 67.1867 -52.5679 19.4768 # jumping subtree containing T0136:G 289 (78) jump= -0.0218626 0.881145 0.431219 0.192759 -20.5826 -9.87741 148.826 # jumping subtree containing T0136:G 289 (78) jump= 0.751604 0.386251 0.296499 -0.44496 -28.0088 97.5629 47.1639 # jumping subtree containing T0136:G 311 (100) jump= -0.548625 0.830502 -0.0771813 -0.0576225 19.2187 -74.2726 156.274 # jumping subtree containing T0136:V 211 (0) jump= 0.707509 -0.432582 0.558766 -0.0092046 -59.6829 -54.0831 76.1983 # jumping subtree containing T0136:G 289 (78) jump= -0.99962 0.021512 0.0161141 0.00616075 -7.93384 19.2252 15.5651 # jumping subtree containing T0136:V 266 (55) jump= -0.183605 0.89537 0.29278 -0.280859 33.8913 25.7558 158.328 # jumping subtree containing T0136:P 268 (57) jump= 0.980129 -0.149638 0.122848 -0.0431708 -21.8638 -4.14655 19.9559 # generation 82: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2726 cost/residue, 162 clashes 0.0563782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 703 ## OptSubtree 1138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 100 # jumping subtree containing T0136:P 268 (57) jump= -0.873357 0.0975737 0.320353 -0.353695 71.9931 -7.27351 49.8755 # jumping subtree containing T0136:E 225 (14) jump= -0.597306 0.305037 -0.702408 -0.238329 -29.9287 -25.7344 122.938 # jumping subtree containing T0136:G 289 (78) jump= -0.490203 -0.712178 -0.275257 -0.420401 -31.3822 40.6219 65.5131 # jumping subtree containing T0136:V 211 (0) jump= 0.661501 -0.274588 -0.315318 -0.622569 42.4503 -22.7154 23.2593 # jumping subtree containing T0136:G 289 (78) jump= 0.528461 0.396588 0.175836 0.729745 -29.3809 8.67002 -14.8009 # jumping subtree containing T0136:P 268 (57) jump= -0.506753 -0.52249 -0.075121 -0.681588 -14.4956 63.1538 38.2186 # generation 83: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2716 cost/residue, 162 clashes 0.0563776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 713 ## OptSubtree 1152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.983771 -0.135361 0.114715 0.0267076 -28.1995 -23.311 31.1991 # jumping subtree containing T0136:V 266 (55) jump= 0.102155 -0.53743 0.579337 -0.604236 -35.5779 100.094 123.35 # jumping subtree containing T0136:G 289 (78) jump= 0.6943 0.656395 0.146134 0.256393 -48.6413 103.359 47.1886 # jumping subtree containing T0136:G 311 (100) jump= 0.117382 0.963539 0.0778368 -0.2275 56.8464 80.0767 227.658 # generation 84: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2715 cost/residue, 162 clashes 0.0563783 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 719 ## OptSubtree 1169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.217762 -0.598091 -0.751592 0.173137 25.2247 20.9328 193.735 # jumping subtree containing T0136:V 211 (0) jump= -0.102029 -0.965483 0.15152 0.185674 45.3618 85.5704 139.71 # jumping subtree containing T0136:G 289 (78) jump= 0.977676 0.115281 -0.159844 -0.0728728 39.8219 12.7103 24.3695 # jumping subtree containing T0136:G 289 (78) jump= 0.466898 -0.165249 0.290454 -0.81874 -54.784 49.6857 23.3695 # jumping subtree containing T0136:V 211 (0) jump= -0.0645729 0.682738 -0.473555 0.55267 -27.6167 112.5 147.998 # Removing break before 100 # generation 85: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2715 cost/residue, 162 clashes 0.0563782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 727 ## OptSubtree 1185 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= -0.765618 0.606619 -0.202156 0.0705411 -32.4462 -35.0861 140.357 # jumping subtree containing T0136:A 248 (37) jump= -0.603072 0.677586 -0.0937371 0.41036 -49.0861 8.0307 114.987 # jumping subtree containing T0136:G 311 (100) jump= 0.984112 -0.174226 -0.0318602 -0.0123712 6.69833 -19.6472 26.1204 # jumping subtree containing T0136:G 289 (78) jump= 0.817423 0.0535944 -0.387504 -0.422832 52.5664 25.1506 4.74177 # jumping subtree containing T0136:A 248 (37) jump= 0.973246 -0.0673788 -0.214339 0.0480811 55.0364 -31.1089 -25.3517 # jumping subtree containing T0136:A 248 (37) jump= -0.955905 -0.113321 -0.244332 -0.117069 -13.6784 4.21177 9.36775 # generation 86: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.2715 cost/residue, 162 clashes 0.0563782 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 308 ## TwoFragment 9 ## CrossOver 27 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 734 ## OptSubtree 1202 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.237905 -0.675182 -0.495019 -0.49243 -59.7699 20.3595 104.786 # jumping subtree containing T0136:G 289 (78) jump= -0.333304 0.130649 0.455322 0.815182 42.3003 -9.92843 5.56684 # jumping subtree containing T0136:G 289 (78) jump= -0.987308 -0.0981454 -0.115856 -0.0465647 -21.7906 -1.31378 -4.92493 # jumping subtree containing T0136:G 289 (78) jump= -0.42271 0.464554 -0.478663 0.613504 -61.7918 84.7703 85.3342 # jumping subtree containing T0136:D 285 (74) jump= -0.0790924 0.222084 -0.82928 0.506674 -0.603203 74.0476 132.194 # jumping subtree containing T0136:G 289 (78) jump= 0.121782 -0.444552 -0.0855113 -0.883307 -36.6778 59.7758 18.6013 # jumping subtree containing T0136:P 268 (57) jump= -0.469584 0.167091 -0.836265 0.228544 -66.6249 56.7911 204.329 # jumping subtree containing T0136:V 211 (0) jump= 0.710573 -0.437449 0.254815 -0.488665 -73.1075 38.5845 77.0545 # jumping subtree containing T0136:V 211 (0) jump= -0.104102 -0.0231728 0.978321 0.177522 59.2542 -39.6571 131.905 # jumping subtree containing T0136:V 211 (0) jump= 0.470608 0.180867 0.659258 -0.557847 4.0338 95.7097 146.67 # generation 87: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.1747 cost/residue, 157 clashes 0.0563775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 309 ## TwoFragment 9 ## CrossOver 28 ## CrossAndInsert 32 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 742 ## OptSubtree 1214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= -0.289133 -0.874826 0.37513 0.101779 74.6244 141.698 133.884 # jumping subtree containing T0136:D 285 (74) jump= 0.772935 -0.404837 -0.24942 -0.420082 12.1827 -27.6191 45.06 # jumping subtree containing T0136:A 248 (37) jump= -0.631155 -0.394145 0.253589 -0.61805 41.6499 119.81 12.9756 # jumping subtree containing T0136:P 256 (45) jump= 0.682618 0.0298268 -0.61956 -0.386378 61.7999 -25.7637 31.6167 # jumping subtree containing T0136:V 211 (0) jump= -0.876695 0.0705574 0.457916 -0.129384 106.594 5.51204 24.2128 # jumping subtree containing T0136:P 256 (45) jump= -0.673552 0.347406 0.212328 0.61689 -37.994 -11.5813 34.1156 # jumping subtree containing T0136:G 311 (100) jump= 0.876387 -0.10262 0.363362 0.298972 -1.19142 -35.8633 45.4327 # generation 88: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 62.108 cost/residue, 168 clashes 0.0563773 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 311 ## TwoFragment 9 ## CrossOver 28 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 751 ## OptSubtree 1227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= 0.86718 -0.235228 0.214615 -0.382892 -55.4186 -11.0896 57.1947 # jumping subtree containing T0136:A 248 (37) jump= -0.865031 0.0461664 0.420665 -0.269502 69.4617 14.0157 49.9457 # jumping subtree containing T0136:G 289 (78) jump= -0.969502 0.0730501 0.18654 -0.141179 15.5077 1.84827 7.9246 # jumping subtree containing T0136:N 259 (48) jump= 0.609032 -0.315518 0.262926 -0.678527 -62.5655 84.874 82.5546 # jumping subtree containing T0136:G 289 (78) jump= 0.646792 0.247995 -0.599331 0.4012 80.3839 97.2932 62.1215 # jumping subtree containing T0136:R 279 (68) jump= -0.9906 0.0338952 -0.129267 0.0292151 -33.1343 -21.7925 16.4941 # jumping subtree containing T0136:D 271 (60) jump= 0.070497 0.496248 0.621102 -0.602496 87.529 113.159 174.345 # jumping subtree containing T0136:D 271 (60) jump= -0.452615 -0.656799 -0.43942 0.413117 5.77889 117.481 110.662 # jumping subtree containing T0136:V 211 (0) jump= 0.446714 -0.0240586 0.564718 0.693514 49.063 -45.456 36.7286 # generation 89: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9374 cost/residue, 159 clashes 0.0563775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 314 ## TwoFragment 9 ## CrossOver 29 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 761 ## OptSubtree 1247 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= 0.909447 0.133776 -0.360467 -0.158344 78.9582 23.2871 -38.9736 # jumping subtree containing T0136:D 271 (60) jump= 0.037064 0.458129 0.883728 0.0881397 21.1717 4.48578 140.812 # jumping subtree containing T0136:D 271 (60) jump= 0.962056 -0.171394 -0.134101 -0.164585 -6.69818 -33.9168 2.07448 # jumping subtree containing T0136:D 271 (60) jump= 0.577934 -0.132224 -0.451044 -0.667134 31.2111 16.349 -2.22988 # jumping subtree containing T0136:D 271 (60) jump= -0.612637 0.107219 0.765733 -0.163807 175.053 -15.4149 67.2339 # jumping subtree containing T0136:G 311 (100) jump= -0.821372 -0.089502 0.0990954 0.554543 -15.7522 44.7523 6.27435 # jumping subtree containing T0136:G 289 (78) jump= 0.561646 0.451195 -0.550578 -0.421711 100.226 63.2265 47.1733 # jumping subtree containing T0136:D 271 (60) jump= -0.924509 0.17512 0.336131 0.0403925 72.4225 -16.3681 6.78719 # jumping subtree containing T0136:G 289 (78) jump= -0.725532 -0.0605794 -0.673323 -0.128724 -45.2271 -0.698607 77.2353 # generation 90: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9374 cost/residue, 159 clashes 0.0563775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 314 ## TwoFragment 9 ## CrossOver 30 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 771 ## OptSubtree 1269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= 0.961332 0.00268903 -0.264507 0.0766074 46.4741 30.2042 -0.678829 # jumping subtree containing T0136:G 289 (78) jump= -0.985097 0.014552 0.171369 0.00214147 12.7436 -18.8879 18.6504 # jumping subtree containing T0136:E 261 (50) jump= -0.916238 0.165827 0.301375 0.205386 42.7706 -33.9272 -6.40547 # jumping subtree containing T0136:D 285 (74) jump= -0.880789 -0.239787 0.203547 -0.353952 55.964 35.7451 3.78911 # jumping subtree containing T0136:D 215 (4) jump= -0.236022 -0.0984196 -0.938163 0.233361 46.4154 57.5767 168.695 # Removing break before 100 # jumping subtree containing T0136:G 311 (100) jump= 0.843477 -0.383143 -0.376365 0.00983153 53.2817 -30.0657 54.72 # jumping subtree containing T0136:T 212 (1) jump= 0.141737 -0.613184 0.249162 0.736094 123.355 24.056 85.2342 # jumping subtree containing T0136:D 285 (74) jump= 0.752996 -0.455348 0.343131 -0.328506 -52.8756 -11.0397 92.242 # jumping subtree containing T0136:D 215 (4) jump= 0.534057 0.685566 -0.48246 -0.109613 81.7381 117.658 69.3361 # jumping subtree containing T0136:D 271 (60) jump= -0.981238 0.139279 0.0924372 -0.0960676 43.584 -35.8369 -11.404 # jumping subtree containing T0136:R 279 (68) jump= 0.319911 0.472292 0.775662 0.270087 -71.7981 -3.53262 112.444 # jumping subtree containing T0136:D 271 (60) jump= -0.968191 0.0780023 -0.141784 0.190837 -23.0951 13.9728 15.214 # generation 91: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.9374 cost/residue, 159 clashes 0.0563777 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 314 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 786 ## OptSubtree 1285 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 285 (74) jump= -0.983162 0.178216 0.0123647 -0.0384545 12.3526 -40.3665 17.365 # jumping subtree containing T0136:D 271 (60) jump= -0.661529 -0.740352 0.0927123 -0.075244 14.3883 141.734 26.1347 # jumping subtree containing T0136:D 215 (4) jump= 0.471961 -0.71321 0.0581247 -0.514981 -75.1935 15.4732 85.66 # jumping subtree containing T0136:P 256 (45) jump= 0.864948 -0.426559 -0.0491892 -0.259794 -5.88133 -28.9721 33.664 # jumping subtree containing T0136:V 211 (0) jump= 0.511301 0.353704 -0.537922 0.569303 100.27 81.7153 29.0843 # jumping subtree containing T0136:V 211 (0) jump= 0.992737 0.0484682 0.00243794 0.110085 15.5288 19.8175 -23.8167 # jumping subtree containing T0136:D 215 (4) jump= -0.599734 -0.0956006 -0.517165 0.603093 -7.38059 115.714 118.026 # jumping subtree containing T0136:N 259 (48) jump= -0.932703 -0.291565 -0.147001 0.153121 -33.9348 62.9733 21.4107 # generation 92: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8184 cost/residue, 159 clashes 0.0561637 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 790 ## OptSubtree 1303 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 248 (37) jump= 0.713238 0.695871 -0.0831618 0.011828 1.35776 93.3694 57.7778 # jumping subtree containing T0136:G 289 (78) jump= -0.98031 0.108055 -0.033339 0.161876 -24.3069 26.4345 17.9018 # jumping subtree containing T0136:G 311 (100) jump= 0.877493 -0.14704 -0.456242 -0.015128 54.8891 -33.556 13.7776 # jumping subtree containing T0136:P 256 (45) jump= 0.146224 -0.288873 -0.473657 -0.819036 4.76164 -32.0315 -0.924368 # Removing break before 100 # jumping subtree containing T0136:A 226 (15) jump= -0.824341 0.319459 0.463974 0.0560027 82.7885 -72.8805 58.1027 # jumping subtree containing T0136:D 271 (60) jump= 0.223764 0.159986 -0.375512 -0.885056 97.2835 47.6453 0.586771 # jumping subtree containing T0136:E 277 (66) jump= -0.551519 -0.456946 0.294233 0.632815 85.2776 122.676 26.5162 # generation 93: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8184 cost/residue, 159 clashes 0.0561636 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 801 ## OptSubtree 1318 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 259 (48) jump= 0.472724 0.120724 -0.645629 -0.587469 102.494 21.2201 31.7849 # jumping subtree containing T0136:V 211 (0) jump= -0.921479 0.0642338 -0.330227 -0.194167 -5.59745 -33.3087 29.776 # jumping subtree containing T0136:E 225 (14) jump= 0.831435 -0.133301 -0.121676 0.525492 49.0283 -24.5649 15.3391 # jumping subtree containing T0136:R 279 (68) jump= -0.985763 0.15421 0.0257308 0.0618686 6.26739 -30.1034 8.0901 # jumping subtree containing T0136:D 271 (60) jump= 0.888546 -0.197375 0.411574 0.0462149 -27.3157 -19.8843 81.4355 # jumping subtree containing T0136:D 271 (60) jump= 0.995929 -0.0412033 -0.0729598 -0.0332218 24.2139 12.6951 -18.8071 # jumping subtree containing T0136:A 248 (37) jump= 0.290499 -0.750211 -0.0169189 0.593723 117.595 -18.2533 172.071 # generation 94: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8183 cost/residue, 159 clashes 0.0561637 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 813 ## OptSubtree 1335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.380905 0.830731 -0.331699 -0.234035 44.6761 9.76714 154.425 # jumping subtree containing T0136:D 285 (74) jump= -0.0445333 0.762549 0.187352 -0.617604 97.0701 45.3488 123.051 # jumping subtree containing T0136:G 289 (78) jump= -0.955031 0.0656709 -0.0085453 0.289014 -30.7024 14.3926 -3.74501 # jumping subtree containing T0136:G 311 (100) jump= -0.235487 -0.904239 -0.356215 0.00291284 -18.1999 15.553 150.535 # jumping subtree containing T0136:D 271 (60) jump= -0.982102 -0.0988846 0.125306 0.0999799 9.78801 11.9136 14.6879 # generation 95: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8183 cost/residue, 159 clashes 0.0561639 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 821 ## OptSubtree 1354 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= -0.72685 0.655024 0.204097 -0.0312573 29.8232 -86.7268 113.062 # jumping subtree containing T0136:R 279 (68) jump= 0.951948 -0.0674667 0.0907504 0.284617 24.2263 -47.1136 -4.54723 # jumping subtree containing T0136:D 271 (60) jump= -0.74225 -0.0190672 0.660059 0.114122 103.343 15.5353 29.6603 # Removing break before 37 # jumping subtree containing T0136:D 215 (4) jump= 0.359334 0.776975 0.502046 0.123041 -37.4566 -14.1878 97.0197 # jumping subtree containing T0136:D 271 (60) jump= -0.916962 -0.260777 -0.0659556 -0.294662 -15.8994 8.76082 -14.531 # generation 96: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8183 cost/residue, 159 clashes 0.0561639 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 830 ## OptSubtree 1367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 215 (4) jump= -0.708085 -0.348974 0.595715 -0.148181 120.996 84.1601 78.9547 # jumping subtree containing T0136:A 229 (18) jump= -0.699748 -0.707053 0.0981898 -0.0280629 33.5747 102.95 80.187 # jumping subtree containing T0136:D 271 (60) jump= -0.90642 -0.185535 0.178736 -0.334712 9.01711 45.5477 -5.68696 # Removing break before 100 # jumping subtree containing T0136:G 311 (100) jump= 0.0180697 -0.215174 -0.769687 -0.600796 47.182 -59.1293 62.0415 # jumping subtree containing T0136:G 311 (100) jump= -0.570733 -0.537675 0.438467 -0.439222 51.1393 84.8661 23.8194 # Removing break before 37 # jumping subtree containing T0136:G 289 (78) jump= -0.164065 -0.882493 0.0977632 0.429804 108.583 74.4706 175.899 # jumping subtree containing T0136:G 311 (100) jump= -0.989909 -0.0493357 -0.0289347 0.129649 -23.5494 7.21271 19.2461 # jumping subtree containing T0136:A 248 (37) jump= 0.0753646 0.0495223 -0.500553 0.860996 54.9854 102.306 54.6262 # jumping subtree containing T0136:G 311 (100) jump= 0.138144 0.809024 0.217803 0.528165 -52.8139 20.4962 90.9309 # jumping subtree containing T0136:A 238 (27) jump= -0.805 0.0296067 -0.590642 0.04734 -73.9974 18.928 76.1749 # jumping subtree containing T0136:V 211 (0) jump= 0.341992 -0.858756 0.254191 0.284545 53.7503 -60.1001 166.204 # jumping subtree containing T0136:G 311 (100) jump= -0.801304 -0.317345 0.0641769 -0.503075 21.114 44.5147 -5.01794 # generation 97: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8183 cost/residue, 159 clashes 0.0561639 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 837 ## OptSubtree 1383 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 311 (100) jump= -0.997118 -0.0106202 -0.0165054 -0.0732891 6.67306 13.3204 -10.0273 # Removing break before 100 # jumping subtree containing T0136:G 222 (11) jump= -0.0860791 -0.541597 0.548755 0.630976 104.552 -16.6689 123.176 # jumping subtree containing T0136:N 267 (56) jump= 0.137396 0.607742 0.600328 0.501376 -47.4278 -42.6111 93.9229 # generation 98: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8183 cost/residue, 159 clashes 0.056164 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 844 ## OptSubtree 1399 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.295886 0.91391 -0.212609 0.178935 -6.16492 29.3941 169.934 # jumping subtree containing T0136:G 289 (78) jump= -0.232385 0.816448 -0.216281 0.48232 -64.6032 52.3567 111.276 # jumping subtree containing T0136:G 289 (78) jump= -0.724603 0.451423 -0.289418 -0.432903 54.0471 -112.586 98.3927 # jumping subtree containing T0136:G 289 (78) jump= -0.39794 -0.524137 0.749012 0.0768406 127.378 109.546 119.222 # jumping subtree containing T0136:P 256 (45) jump= 0.948531 0.266531 -0.119633 -0.12222 37.5593 60.6196 -15.5342 # jumping subtree containing T0136:P 256 (45) jump= 0.610323 0.162759 0.765319 0.123704 -25.9869 -33.6558 132.474 # jumping subtree containing T0136:G 289 (78) jump= -0.318204 0.231132 -0.0256088 0.919059 30.2946 85.2764 5.44035 # jumping subtree containing T0136:G 289 (78) jump= 0.942069 -0.181347 0.241138 0.14653 -41.7572 -40.4242 66.5591 # jumping subtree containing T0136:D 215 (4) jump= -0.687318 -0.0820436 0.621403 0.367044 119.933 -3.66963 50.8545 # jumping subtree containing T0136:N 259 (48) jump= -0.965619 -0.24103 0.0973815 -0.00126765 -0.583067 50.2828 9.88392 # jumping subtree containing T0136:A 297 (86) jump= -0.171089 0.1796 0.19107 -0.949718 116.933 82.7645 43.1113 # Removing break before 100 # jumping subtree containing T0136:D 215 (4) jump= 0.784712 0.0067974 -0.603364 0.141891 139.001 11.2497 22.2673 # jumping subtree containing T0136:G 289 (78) jump= 0.728292 -0.0010506 -0.003354 0.685258 58.2285 -20.1222 1.3453 # generation 99: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8183 cost/residue, 159 clashes 0.056164 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 33 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 852 ## OptSubtree 1414 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 289 (78) jump= -0.95651 -0.214379 -0.113469 -0.162037 2.81715 16.9252 31.552 # jumping subtree containing T0136:G 311 (100) jump= -0.998129 0.0406511 -0.0427634 -0.0160095 -14.8923 -25.3391 7.62924 # jumping subtree containing T0136:D 271 (60) jump= -0.932824 -0.302395 -0.0406788 -0.19168 10.237 32.0419 20.2981 # jumping subtree containing T0136:D 271 (60) jump= 0.227059 0.798939 0.285881 0.477926 -67.9665 -10.7357 137.554 # jumping subtree containing T0136:P 256 (45) jump= 0.996509 -0.071906 -0.0322602 0.0275509 -19.3538 -21.6453 -1.5941 # jumping subtree containing T0136:G 289 (78) jump= 0.242105 0.781673 -0.501225 0.281331 66.2118 144.711 112.83 # generation 100: best score out of 40: T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA 61.8183 cost/residue, 159 clashes 0.056164 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 315 ## TwoFragment 9 ## CrossOver 34 ## CrossAndInsert 33 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 860 ## OptSubtree 1429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1340950995.pdb -s /projects/compbio/tmp/to_scwrl_1340950995.seq -o /projects/compbio/tmp/from_scwrl_1340950995.pdb -a /projects/compbio/tmp/from_scwrl_1340950995_a.pdb -b /projects/compbio/tmp/from_scwrl_1340950995_b.pdb > /projects/compbio/tmp/scwrl_1340950995.log # T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA-scwrl 62.378 cost/residue 159 clashes 0.056164 breaks # filling super_pool to have at least 40 conformations # best score in super_pool out of 40: T0136.try1-al10 at pool[16] 59.8544 cost/residue, 182 clashes 0.0815569 breaks # optimizing backbone with 40 conformations in pool # doing 100 generations, with 200 new conformations in each generation. # keep at most 16 conformations from old pool # Removing break before 76 # generation 1: best score out of 40: T0136.try1-al10 59.751 cost/residue, 196 clashes 0.0714706 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 0 ## InsertFragment 17 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10 59.751 cost/residue, 196 clashes 0.0714706 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 32 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # generation 3: best score out of 40: T0136.try1-al10 59.751 cost/residue, 196 clashes 0.0714706 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 52 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:G 286 (75) jump= -0.445319 -0.462691 -0.678247 -0.357196 -4.20498 128.946 -231.153 # generation 4: best score out of 40: T0136.try1-al10 59.751 cost/residue, 196 clashes 0.0714706 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 4 ## InsertFragment 68 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # generation 5: best score out of 40: T0136.try1-al10 59.751 cost/residue, 196 clashes 0.0714706 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 85 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 4 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # generation 6: best score out of 40: T0136.try1-al10 59.6615 cost/residue, 199 clashes 0.0825444 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 102 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 4 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 7: best score out of 40: T0136.try1-al10 59.6615 cost/residue, 199 clashes 0.0825444 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 117 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break before 70 # generation 8: best score out of 40: T0136.try1-al10 59.6615 cost/residue, 199 clashes 0.0825444 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 137 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10 59.6615 cost/residue, 199 clashes 0.0825444 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 154 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 7 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # Removing break before 19 # generation 10: best score out of 40: T0136.try1-al10 59.6615 cost/residue, 199 clashes 0.0825444 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 172 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 8 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10 59.6615 cost/residue, 199 clashes 0.0825444 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 187 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 10 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 12: best score out of 40: T0136.try1-al10 59.6614 cost/residue, 199 clashes 0.0825444 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 202 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 12 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= 0.398575 -0.828596 -0.361262 -0.1551 -21.6874 -17.9104 108.666 # Removing break before 81 # jumping subtree containing T0136:I 230 (19) jump= -0.0653084 -0.659761 -0.482498 -0.572403 -123.98 24.4858 129.943 # Removing break before 81 # generation 13: best score out of 40: T0136.try1-al10 59.6357 cost/residue, 194 clashes 0.0564011 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 215 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 15 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 70 # Removing break before 70 # Removing break before 81 # Removing break before 70 # generation 14: best score out of 40: T0136.try1-al10 59.6357 cost/residue, 194 clashes 0.0564021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 228 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 17 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 18 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 81 # Removing break before 38 # Removing break before 81 # generation 15: best score out of 40: T0136.try1-al10 59.6356 cost/residue, 194 clashes 0.0564021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 241 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 18 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 21 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 81 # Removing break before 43 # generation 16: best score out of 40: T0136.try1-al10 59.6356 cost/residue, 194 clashes 0.0564021 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 255 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 19 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 27 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 81 # Removing break before 81 # generation 17: best score out of 40: T0136.try1-al10 59.6356 cost/residue, 194 clashes 0.0564024 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 267 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 19 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 30 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # Removing break before 98 # Removing break before 43 # Removing break before 81 # Removing break before 43 # Removing break before 43 # generation 18: best score out of 40: T0136.try1-al10 59.6356 cost/residue, 194 clashes 0.0564024 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 277 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 21 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 36 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 38 # Removing break before 38 # Removing break before 43 # Removing break before 19 # Removing break before 43 # jumping subtree containing T0136:K 309 (98) jump= 0.705714 0.532216 0.342502 -0.318444 -63.8287 5.92249 -72.8888 # Removing break before 19 # generation 19: best score out of 40: T0136.try1-al10 59.6356 cost/residue, 194 clashes 0.056402 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 290 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 21 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 27 ## JiggleSubtree 42 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 15 # Removing break before 15 # Removing break before 43 # Removing break before 98 # generation 20: best score out of 40: T0136.try1-al10 59.5197 cost/residue, 191 clashes 0.0557688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 296 ## TwoFragment 1 ## CrossOver 4 ## CrossAndInsert 22 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 51 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.957136 0.0622032 0.265471 -0.0977111 -5.37664 -5.40067 -67.1807 # Removing break before 43 # jumping subtree containing T0136:P 256 (45) jump= -0.363717 -0.34422 0.806469 -0.314372 -255.483 -38.4798 170.049 # Removing break moved up 3 to before 72 # Removing break before 98 # Removing break before 98 # generation 21: best score out of 40: T0136.try1-al10 59.5197 cost/residue, 191 clashes 0.0557688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 305 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 23 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 58 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break moved up 3 to before 72 # generation 22: best score out of 40: T0136.try1-al10 59.5197 cost/residue, 191 clashes 0.0557688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 315 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 24 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 31 ## JiggleSubtree 66 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break moved up 3 to before 41 # Removing break before 43 # Removing break before 15 # Removing break before 19 # Removing break before 43 # generation 23: best score out of 40: T0136.try1-al10 59.5197 cost/residue, 191 clashes 0.0557688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 324 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 24 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 74 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break moved up 3 to before 72 # Removing break before 98 # Removing break before 19 # Removing break before 19 # Removing break before 19 # Removing break before 38 # Removing break before 38 # Removing break moved up 3 to before 72 # Removing break before 38 # generation 24: best score out of 40: T0136.try1-al10 59.5197 cost/residue, 191 clashes 0.0557688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 328 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 37 ## JiggleSubtree 85 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 43 # Removing break before 98 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # Removing break before 43 # Removing break before 43 # jumping subtree containing T0136:N 270 (59) jump= 0.318862 -0.675335 -0.602898 -0.280648 -101.447 40.629 172.059 # Removing break before 98 # generation 25: best score out of 40: T0136.try1-al10 59.5197 cost/residue, 191 clashes 0.0557688 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 330 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 98 ## OptSubtree 38 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break before 38 # Removing break before 38 # Removing break before 43 # Removing break before 19 # generation 26: best score out of 40: T0136.try1-al10 59.5196 cost/residue, 191 clashes 0.0557692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 112 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:W 302 (91) jump= 0.504796 0.339762 -0.384077 -0.694426 -114.229 -142.003 -0.479093 # Removing break before 19 # Removing break before 98 # jumping subtree containing T0136:N 269 (58) jump= -0.984595 -0.158247 -0.0044494 0.0742313 -0.958245 -18.7788 14.8446 # Removing break before 98 # jumping subtree containing T0136:D 241 (30) jump= 0.563749 -0.195872 0.349003 0.722508 -189.422 49.8058 -74.6576 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:D 280 (69) jump= 0.723134 0.0256912 -0.0234772 -0.68983 -117.75 -205.944 -16.6634 # Removing break before 38 # Removing break before 19 # generation 27: best score out of 40: T0136.try1-al10 59.5196 cost/residue, 191 clashes 0.0557692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 126 ## OptSubtree 55 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # jumping subtree containing T0136:K 249 (38) jump= 0.89728 -0.00434089 -0.271844 0.347809 -72.6767 98.042 69.1298 # Removing break before 43 # jumping subtree containing T0136:P 274 (63) jump= 0.180615 0.62748 -0.748753 -0.114086 -135.099 -99.4856 44.6218 # generation 28: best score out of 40: T0136.try1-al10 59.5196 cost/residue, 191 clashes 0.0557692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 146 ## OptSubtree 59 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break before 15 # Removing break moved up 3 to before 72 # generation 29: best score out of 40: T0136.try1-al10 59.5196 cost/residue, 191 clashes 0.0557692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 165 ## OptSubtree 64 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # Removing break before 38 # Removing break before 43 # generation 30: best score out of 40: T0136.try1-al10 59.5196 cost/residue, 191 clashes 0.0557692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 184 ## OptSubtree 69 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:N 269 (58) jump= -0.894861 -0.37778 -0.22386 -0.079954 -21.3702 65.8909 -28.2833 # Removing break before 43 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:G 213 (2) jump= -0.992993 0.0690823 -0.0192995 -0.0939129 -21.3176 8.18049 -6.38102 # Removing break before 98 # Removing break before 43 # generation 31: best score out of 40: T0136.try1-al10 59.4917 cost/residue, 191 clashes 0.0560491 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 333 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 202 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # jumping subtree containing T0136:T 217 (6) jump= 0.83005 0.201233 0.518349 -0.0428528 -87.109 21.3893 -102.258 # jumping subtree containing T0136:K 309 (98) jump= 0.794122 0.0898448 -0.190459 -0.570108 -93.7421 -147.296 37.6822 # Removing break before 38 # generation 32: best score out of 40: T0136.try1-al10 59.4917 cost/residue, 191 clashes 0.0560491 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 333 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 221 ## OptSubtree 79 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break before 43 # Removing break before 98 # jumping subtree containing T0136:Y 305 (94) jump= -0.555032 -0.37409 -0.319685 -0.67067 -213.401 134.444 39.5611 # generation 33: best score out of 40: T0136.try1-al10 59.4917 cost/residue, 191 clashes 0.0560486 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 334 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 238 ## OptSubtree 85 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.968441 -0.100911 -0.15455 0.167492 -2.41836 53.4967 32.4858 # Removing break moved up 3 to before 72 # Removing break before 19 # generation 34: best score out of 40: T0136.try1-al10 59.4916 cost/residue, 191 clashes 0.0560489 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 334 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 254 ## OptSubtree 93 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:N 269 (58) jump= -0.488692 -0.604927 0.500533 -0.380408 -147.231 -78.661 155.815 # jumping subtree containing T0136:K 309 (98) jump= -0.167113 -0.326256 0.879833 -0.302529 -315.62 -73.3546 78.756 # Removing break before 19 # Removing break moved up 3 to before 72 # Removing break before 39 # generation 35: best score out of 40: T0136.try1-al10 59.4029 cost/residue, 188 clashes 0.0563378 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 40 ## JiggleSubtree 267 ## OptSubtree 101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.470094 0.263909 -0.37657 0.753364 -250.375 -187.103 -4.17825 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # Removing break before 39 # jumping subtree containing T0136:K 309 (98) jump= -0.733046 -0.541864 0.249558 0.326721 -50.1508 -143.268 -9.15442 # Removing break before 39 # Removing break before 15 # generation 36: best score out of 40: T0136.try1-al10 59.3992 cost/residue, 188 clashes 0.0563388 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 283 ## OptSubtree 107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break before 19 # Removing break before 98 # Removing break before 19 # Removing break before 98 # jumping subtree containing T0136:D 241 (30) jump= -0.987282 -0.0643609 -0.0397796 -0.13982 -26.5544 43.0138 -26.2381 # generation 37: best score out of 40: T0136.try1-al10 59.3992 cost/residue, 188 clashes 0.0563388 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 305 ## OptSubtree 114 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.510034 -0.56717 -0.599526 -0.242388 -139.836 150.044 -16.1833 # Removing break before 19 # Removing break moved up 3 to before 72 # Removing break before 19 # Removing break before 15 # generation 38: best score out of 40: T0136.try1-al10 59.3992 cost/residue, 188 clashes 0.0563388 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 327 ## OptSubtree 124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break before 15 # generation 39: best score out of 40: T0136.try1-al10 59.2284 cost/residue, 187 clashes 0.0625948 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 336 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 345 ## OptSubtree 129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= 0.409641 0.489586 0.642345 0.424137 -201.292 148.707 20.2869 # Removing break moved up 3 to before 72 # Removing break before 98 # Removing break before 19 # jumping subtree containing T0136:K 309 (98) jump= 0.939615 0.0190436 0.316315 0.12925 -54.3579 35.9653 -78.0057 # generation 40: best score out of 40: T0136.try1-al10 59.1716 cost/residue, 183 clashes 0.0632947 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 359 ## OptSubtree 137 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # jumping subtree containing T0136:F 254 (43) jump= -0.999995 -0.0019933 -0.00250332 0.00015305 -3.486 -7.87882 10.5662 # Removing break before 98 # Removing break before 98 # Removing break before 19 # jumping subtree containing T0136:K 309 (98) jump= -0.183114 0.693942 -0.684714 0.126811 -160.205 -195.547 16.5713 # generation 41: best score out of 40: T0136.try1-al10 59.1716 cost/residue, 183 clashes 0.0632954 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 382 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break before 19 # jumping subtree containing T0136:K 309 (98) jump= 0.814191 0.394619 -0.303558 0.298701 -62.125 64.896 117.599 # Removing break before 19 # Removing break moved up 3 to before 72 # generation 42: best score out of 40: T0136.try1-al10 59.1714 cost/residue, 183 clashes 0.0632953 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 339 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 403 ## OptSubtree 152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break before 19 # jumping subtree containing T0136:D 280 (69) jump= 0.864921 0.000688745 0.109326 -0.489856 -75.9763 -169.025 -47.1254 # Removing break moved up 3 to before 72 # generation 43: best score out of 40: T0136.try1-al10 59.1714 cost/residue, 183 clashes 0.0632953 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 339 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 419 ## OptSubtree 161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # Removing break before 98 # jumping subtree containing T0136:D 304 (93) jump= 0.938856 -0.262705 -0.165808 0.148468 -22.3364 78.3051 20.5252 # jumping subtree containing T0136:Y 312 (101) jump= 0.632939 -0.551025 -0.381761 -0.387322 -77.0547 -17.7895 149.22 # Removing break before 19 # generation 44: best score out of 40: T0136.try1-al10 59.1714 cost/residue, 183 clashes 0.0632946 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 339 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 437 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # Removing break before 98 # Removing break moved up 3 to before 72 # generation 45: best score out of 40: T0136.try1-al10 59.1712 cost/residue, 186 clashes 0.0633193 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 452 ## OptSubtree 174 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # generation 46: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.0633191 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 473 ## OptSubtree 177 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:Y 305 (94) jump= -0.869476 0.476654 -0.112455 0.0645445 -0.962667 -13.455 14.8194 # Removing break before 98 # Removing break before 39 # Removing break before 30 # generation 47: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.063319 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 491 ## OptSubtree 188 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.329908 0.804767 0.0863178 -0.48586 -67.8153 90.0044 -114.385 # jumping subtree containing T0136:K 309 (98) jump= 0.95872 -0.0679561 -0.156353 0.227576 -27.0557 52.3943 48.7632 # jumping subtree containing T0136:Y 305 (94) jump= 0.709754 0.318632 0.617944 -0.113437 -134.585 57.1095 -109.197 # Removing break before 98 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:V 272 (61) jump= -0.424038 -0.422751 -0.632936 -0.49078 -226.68 147.854 3.44279 # generation 48: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.063319 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 512 ## OptSubtree 193 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 230 (19) jump= 0.80649 0.258908 0.0763026 -0.52604 -76.0522 -133.696 -69.663 # jumping subtree containing T0136:Y 305 (94) jump= 0.0653781 0.14566 -0.680067 -0.715554 -342.085 -54.3558 9.31548 # jumping subtree containing T0136:T 217 (6) jump= -0.995412 -0.003423 -0.0952757 -0.00815974 4.61089 20.6625 -41.8715 # Removing break before 19 # generation 49: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.0633187 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 528 ## OptSubtree 201 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 230 (19) jump= -0.0469209 0.142332 0.950844 -0.270989 -325.024 12.011 -38.3087 # jumping subtree containing T0136:D 241 (30) jump= 0.808991 -0.394878 -0.263558 0.346615 -67.1298 116.226 5.7934 # Removing break before 30 # Removing break before 30 # Removing break before 19 # Removing break before 39 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:V 272 (61) jump= 0.927188 0.00346838 -0.363073 -0.0921291 -43.1976 -27.7952 116.27 # jumping subtree containing T0136:K 309 (98) jump= 0.992108 -0.063829 -0.102226 -0.0346182 -2.2206 -16.8774 60.6423 # generation 50: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.0633187 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 543 ## OptSubtree 210 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:K 309 (98) jump= -0.974151 -0.0981039 0.18073 -0.0934959 -19.6524 16.0362 44.6725 # Removing break before 98 # Removing break before 19 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:K 309 (98) jump= -0.894919 0.210397 0.27661 0.279893 -50.1005 -68.7833 112.878 # Removing break before 39 # generation 51: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.0633192 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 555 ## OptSubtree 222 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # Removing break before 30 # jumping subtree containing T0136:K 309 (98) jump= 0.440514 -0.352849 0.353277 -0.746083 -206.705 -168.913 35.3908 # Removing break before 98 # jumping subtree containing T0136:K 309 (98) jump= -0.883494 -0.240887 0.175296 -0.361501 -51.6585 80.068 81.4735 # jumping subtree containing T0136:D 280 (69) jump= -0.354392 0.090433 0.642693 0.673181 -320.512 -62.0204 91.792 # jumping subtree containing T0136:D 241 (30) jump= 0.593271 0.735529 0.269226 0.185859 -27.9606 46.3779 -42.0556 # generation 52: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.0633192 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 341 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 570 ## OptSubtree 230 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break before 98 # jumping subtree containing T0136:K 309 (98) jump= 0.17449 -0.139422 0.837701 0.49837 -317.459 -4.81861 -58.5295 # jumping subtree containing T0136:K 309 (98) jump= -0.470801 -0.502495 -0.172302 -0.704384 -162.64 181.752 68.9619 # jumping subtree containing T0136:V 272 (61) jump= -0.869276 -0.30344 -0.0542112 0.386451 -69.5659 -80.4432 -59.1241 # generation 53: best score out of 40: T0136.try1-al10 59.1711 cost/residue, 186 clashes 0.0633192 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 341 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 586 ## OptSubtree 238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= -0.158992 -0.884979 0.140342 -0.414535 -71.0396 1.50873 123.798 # jumping subtree containing T0136:V 272 (61) jump= -0.992103 0.109858 -0.0199305 0.0571442 -10.2985 -10.7741 6.62749 # jumping subtree containing T0136:K 309 (98) jump= 0.761474 -0.118684 0.55541 0.312396 -122.989 63.0119 -168.708 # generation 54: best score out of 40: T0136.try1-al10 59.1282 cost/residue, 186 clashes 0.060031 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 342 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 603 ## OptSubtree 244 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:D 280 (69) jump= -0.999709 0.00832777 -0.0181899 -0.0135145 -0.145025 19.9712 -16.7182 # jumping subtree containing T0136:L 255 (44) jump= 0.927208 -0.0666796 0.363905 -0.0584164 -43.6543 -32.2028 -98.2637 # Removing break before 98 # generation 55: best score out of 40: T0136.try1-al10 59.1282 cost/residue, 186 clashes 0.060031 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 615 ## OptSubtree 255 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= 0.986123 0.0681794 -0.149275 0.0250862 -11.4715 14.2339 61.6103 # Removing break before 98 # jumping subtree containing T0136:K 250 (39) jump= 0.646116 0.31241 0.682392 -0.138835 -142.295 28.877 -134.474 # jumping subtree containing T0136:Y 312 (101) jump= -0.703086 -0.491198 -0.270121 -0.437527 -80.5154 118.317 -2.45563 # jumping subtree containing T0136:W 302 (91) jump= 0.0838189 0.217053 -0.38181 -0.894474 -299.183 1.2917 -89.6948 # jumping subtree containing T0136:Y 305 (94) jump= -0.876136 -0.112464 0.3886 0.262158 -48.9881 -70.3443 122.931 # generation 56: best score out of 40: T0136.try1-al10 59.1282 cost/residue, 186 clashes 0.060031 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 637 ## OptSubtree 267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= -0.926976 0.29575 0.0549094 -0.224123 -13.8483 68.9284 14.5229 # Removing break before 98 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:K 309 (98) jump= 0.995941 -0.079445 0.000362767 0.0423111 3.89693 21.214 -23.388 # jumping subtree containing T0136:T 217 (6) jump= 0.567447 -0.755712 -0.0398523 -0.324523 -38.5325 -94.6357 91.7619 # jumping subtree containing T0136:V 211 (0) jump= 0.612497 -0.488541 0.567663 0.252851 -111.417 -5.88726 -172.3 # jumping subtree containing T0136:K 309 (98) jump= 0.634701 0.425213 0.626578 -0.154108 -133.837 36.3918 -148.083 # jumping subtree containing T0136:L 255 (44) jump= 0.972908 0.0565669 -0.222193 0.0296835 -19.1022 2.23149 61.3119 # generation 57: best score out of 40: T0136.try1-al10 59.1088 cost/residue, 186 clashes 0.0569541 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 655 ## OptSubtree 272 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # Removing break before 30 # jumping subtree containing T0136:Y 305 (94) jump= -0.909878 0.32284 -0.100532 0.240393 -2.09087 -51.0319 -14.0923 # Removing break before 19 # jumping subtree containing T0136:D 280 (69) jump= -0.755151 -0.591858 -0.0504759 -0.277313 -16.0509 27.9847 24.1921 # Removing break before 19 # jumping subtree containing T0136:L 255 (44) jump= 0.901081 0.133716 0.355813 -0.208736 -30.6545 -72.5471 -143.481 # Removing break before 98 # jumping subtree containing T0136:D 241 (30) jump= 0.761794 -0.505699 0.306757 0.264271 -63.5456 7.50978 -89.0115 # Removing break before 19 # generation 58: best score out of 40: T0136.try1-al10 59.1087 cost/residue, 186 clashes 0.0569543 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 670 ## OptSubtree 281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= -0.873735 -0.073787 -0.368563 0.308715 -44.8395 -68.0608 -96.2994 # jumping subtree containing T0136:T 217 (6) jump= -0.478518 0.27769 0.309383 0.773428 -189.383 -89.6075 119.878 # Removing break before 19 # Removing break moved up 3 to before 72 # Removing break before 30 # generation 59: best score out of 40: T0136.try1-al10 59.1087 cost/residue, 186 clashes 0.0569539 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 693 ## OptSubtree 290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= 0.600279 0.426292 -0.520837 0.432052 -141.202 10.7447 151.447 # jumping subtree containing T0136:Y 305 (94) jump= 0.250508 0.537889 -0.482473 0.644314 -221.802 -33.2436 140.383 # jumping subtree containing T0136:K 250 (39) jump= 0.98706 0.0768609 -0.0985162 -0.1005 -3.14775 -35.9817 20.0188 # Removing break before 30 # jumping subtree containing T0136:V 272 (61) jump= -0.981726 0.0616088 0.147735 -0.102925 1.76532 56.392 47.368 # jumping subtree containing T0136:N 269 (58) jump= 0.725561 -0.0753361 -0.678897 -0.0835736 -148.629 -13.5088 131.885 # jumping subtree containing T0136:V 211 (0) jump= -0.260106 0.79468 0.252741 -0.486775 -66.8718 47.0458 -96.7237 # generation 60: best score out of 40: T0136.try1-al10 59.1087 cost/residue, 186 clashes 0.0569539 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 710 ## OptSubtree 302 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:Y 305 (94) jump= -0.466672 -0.335078 0.808419 0.128056 -198.32 -118.642 138.185 # jumping subtree containing T0136:V 272 (61) jump= -0.661282 0.63757 0.373808 -0.128367 -3.014 60.2635 69.0289 # jumping subtree containing T0136:V 272 (61) jump= -0.776277 0.562878 -0.170248 -0.227108 -16.8488 11.9626 -104.27 # Removing break before 98 # Removing break before 19 # jumping subtree containing T0136:K 309 (98) jump= 0.537078 -0.580244 -0.0501 -0.610208 -93.8859 -93.2553 107.152 # jumping subtree containing T0136:V 272 (61) jump= 0.892087 -0.395022 -0.0908382 -0.199717 -0.250458 -43.7428 31.0924 # Removing break moved up 3 to before 72 # generation 61: best score out of 40: T0136.try1-al10 59.1085 cost/residue, 186 clashes 0.0569543 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 729 ## OptSubtree 307 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 98 # Removing break before 39 # jumping subtree containing T0136:I 230 (19) jump= -0.0151112 -0.621564 0.580228 0.526085 -225.51 -131.62 -78.1167 # Removing break before 98 # jumping subtree containing T0136:T 217 (6) jump= -0.221226 -0.397172 -0.221654 0.86266 -213.136 -42.215 -113.254 # generation 62: best score out of 40: T0136.try1-al10 59.1085 cost/residue, 186 clashes 0.0569543 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 747 ## OptSubtree 313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= -0.420036 -0.240709 0.111414 0.86788 -211.827 -130.689 -42.8683 # jumping subtree containing T0136:P 274 (63) jump= 0.307102 -0.441915 -0.814194 -0.217918 -223.798 74.2661 138.821 # jumping subtree containing T0136:I 296 (85) jump= 0.523483 -0.0399293 0.849587 -0.0507204 -229.799 -3.82599 -174.971 # Removing break before 19 # jumping subtree containing T0136:V 272 (61) jump= 0.0478799 -0.21973 0.0113805 -0.974319 -295.606 -73.0852 63.8871 # jumping subtree containing T0136:K 250 (39) jump= -0.230765 0.193212 0.952737 0.0413325 -256.597 67.6311 96.1573 # jumping subtree containing T0136:V 272 (61) jump= -0.978035 0.0558335 -0.158226 0.123673 -32.7078 -36.6728 -59.478 # jumping subtree containing T0136:L 255 (44) jump= 0.952034 -0.195092 0.110716 -0.208117 -15.2477 -74.1601 -41.8344 # generation 63: best score out of 40: T0136.try1-al10 59.1085 cost/residue, 186 clashes 0.0569543 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 767 ## OptSubtree 317 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= 0.942438 0.10489 0.11785 0.294822 -76.7427 96.0078 -18.9086 # Removing break before 30 # jumping subtree containing T0136:V 272 (61) jump= -0.981284 0.0297353 0.178144 0.0668062 -27.8862 -22.9758 36.2295 # Removing break before 30 # jumping subtree containing T0136:I 230 (19) jump= 0.758451 0.397159 -0.147275 0.495305 -83.4663 79.7992 81.6551 # jumping subtree containing T0136:W 302 (91) jump= 0.514189 0.18623 0.782492 -0.297715 -218.196 -14.0006 -148.747 # generation 64: best score out of 40: T0136.try1-al10 59.1085 cost/residue, 186 clashes 0.0569543 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 781 ## OptSubtree 327 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 30 # Removing break before 30 # jumping subtree containing T0136:K 250 (39) jump= 0.743656 -0.121097 0.402373 -0.520007 -126.909 -184.743 -128.561 # Removing break before 30 # Removing break before 98 # Removing break before 30 # generation 65: best score out of 40: T0136.try1-al10 59.1084 cost/residue, 186 clashes 0.0568937 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 344 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 795 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # jumping subtree containing T0136:D 241 (30) jump= -0.677716 0.16425 -0.184189 -0.692674 -191.903 156.978 -83.8388 # jumping subtree containing T0136:Y 305 (94) jump= 0.944645 -0.106017 0.222525 0.216536 -17.6561 54.0153 -75.0564 # Removing break before 98 # Removing break before 19 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:K 309 (98) jump= 0.912374 -0.212283 -0.126918 -0.326191 -46.6666 -84.6914 80.1644 # Removing break before 19 # generation 66: best score out of 40: T0136.try1-al10 59.1084 cost/residue, 186 clashes 0.0568937 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 344 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 811 ## OptSubtree 344 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= 0.944063 0.025008 -0.158662 0.288003 -13.2961 111.884 61.6456 # Removing break before 30 # Removing break before 98 # Removing break before 98 # generation 67: best score out of 40: T0136.try1-al10 59.0735 cost/residue, 186 clashes 0.0574535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 345 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 831 ## OptSubtree 352 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # Removing break moved up 3 to before 72 # Removing break before 39 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:D 280 (69) jump= -0.976302 0.0853268 -0.125855 0.153996 -13.8402 -33.4285 -57.6488 # generation 68: best score out of 40: T0136.try1-al10 59.0735 cost/residue, 186 clashes 0.0574538 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 345 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 853 ## OptSubtree 362 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= -0.99996 0.004908 0.00717334 0.00223466 5.19343 -3.44707 -0.47862 # jumping subtree containing T0136:K 309 (98) jump= 0.740577 -0.667546 -0.0765626 -0.00818957 20.4764 -0.64187 -11.1308 # Removing break before 98 # jumping subtree containing T0136:V 272 (61) jump= 0.0826862 -0.987678 -0.107906 0.0775336 24.1603 -32.4358 -10.7377 # jumping subtree containing T0136:I 296 (85) jump= -0.725433 0.658197 0.0192585 -0.200382 -18.3253 36.3119 -40.4486 # jumping subtree containing T0136:V 272 (61) jump= 0.936298 -0.309905 -0.0695573 -0.14989 14.3405 -45.9471 55.065 # jumping subtree containing T0136:V 295 (84) jump= 0.927872 0.0448357 -0.14433 0.3409 -60.0352 90.3804 37.1884 # jumping subtree containing T0136:V 272 (61) jump= -0.432835 0.0134285 0.709548 -0.555892 -204.722 89.1631 87.3451 # jumping subtree containing T0136:K 309 (98) jump= -0.0608334 0.50238 -0.799992 0.322376 -223.943 -118.908 59.9519 # jumping subtree containing T0136:V 272 (61) jump= -0.932587 -0.104983 -0.315286 -0.140906 -70.5108 47.8367 -66.9043 # generation 69: best score out of 40: T0136.try1-al10 59.0735 cost/residue, 186 clashes 0.0574538 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 345 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 874 ## OptSubtree 374 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= -0.417056 0.104871 0.576803 -0.694524 -235.007 75.6036 57.0238 # Removing break before 39 # Removing break before 30 # jumping subtree containing T0136:D 280 (69) jump= -0.391136 -0.797929 0.0974735 0.44813 -55.1334 -99.3792 -86.25 # generation 70: best score out of 40: T0136.try1-al10 59.0735 cost/residue, 186 clashes 0.0574538 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 345 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 891 ## OptSubtree 381 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= 0.41809 -0.0607537 -0.0618775 0.904257 -294.188 135.017 -19.445 # Removing break before 39 # Removing break before 98 # jumping subtree containing T0136:T 217 (6) jump= -0.997139 0.0663517 0.0310807 0.0185675 -4.00195 -21.1632 18.7551 # Removing break before 19 # generation 71: best score out of 40: T0136.try1-al10 59.044 cost/residue, 186 clashes 0.0564937 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 346 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 903 ## OptSubtree 392 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.799304 -0.49639 -0.325036 -0.0951892 -25.08 89.7089 -64.5219 # Removing break before 30 # jumping subtree containing T0136:D 242 (31) jump= 0.239706 -0.631042 0.0143865 0.737645 -143.796 83.3454 -104.63 # jumping subtree containing T0136:K 250 (39) jump= -0.707386 0.22369 -0.642916 0.190335 -113.722 -97.1675 -127.308 # Removing break before 39 # jumping subtree containing T0136:Y 305 (94) jump= 0.946108 -0.211607 -0.244808 -0.0130834 -35.7346 -5.30077 69.8461 # jumping subtree containing T0136:T 217 (6) jump= 0.0484957 0.810345 0.410697 -0.415111 -86.453 83.7248 -95.9988 # jumping subtree containing T0136:L 255 (44) jump= 0.998394 0.0284862 -0.00667049 -0.0485115 -0.922035 -10.5049 -14.0705 # jumping subtree containing T0136:K 309 (98) jump= -0.956975 0.143205 0.110141 -0.227067 -39.9098 109.451 24.2712 # Removing break before 39 # Removing break before 15 # generation 72: best score out of 40: T0136.try1-al10 59.0017 cost/residue, 186 clashes 0.0652722 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 347 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 916 ## OptSubtree 402 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 72 # generation 73: best score out of 40: T0136.try1-al10 59.0017 cost/residue, 186 clashes 0.0652722 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 347 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 941 ## OptSubtree 410 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= -0.896447 0.10106 0.218724 -0.371927 -79.8521 84.4211 37.8123 # Removing break before 98 # jumping subtree containing T0136:D 241 (30) jump= -0.77683 -0.548531 -0.0618198 -0.303031 -27.2833 48.1463 28.675 # Removing break moved up 3 to before 72 # jumping subtree containing T0136:Y 305 (94) jump= -0.809281 0.0671014 0.456216 0.363907 -95.6749 -93.1048 120.673 # Removing break before 19 # jumping subtree containing T0136:T 217 (6) jump= -0.159308 0.822083 -0.479148 -0.263093 -85.5122 -105.213 -102.357 # generation 74: best score out of 40: T0136.try1-al10 59.0017 cost/residue, 186 clashes 0.0652722 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 347 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 962 ## OptSubtree 422 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Y 305 (94) jump= 0.0648857 0.451146 0.0634922 0.887821 -213.759 -37.2365 137.061 # Removing break moved up 3 to before 72 # Removing break before 39 # jumping subtree containing T0136:W 302 (91) jump= -0.864571 0.464845 -0.190821 -0.00490809 8.34918 9.14016 -55.8977 # jumping subtree containing T0136:H 235 (24) jump= 0.540049 0.770183 -0.310575 -0.13678 -63.311 -120.324 33.0625 # generation 75: best score out of 40: T0136.try1-al10 59.0016 cost/residue, 186 clashes 0.065272 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 347 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 982 ## OptSubtree 427 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 282 (71) jump= -0.216804 -0.282807 -0.070794 0.931668 -249.373 -77.1934 -83.9338 # jumping subtree containing T0136:D 280 (69) jump= -0.955332 0.0486376 0.107971 0.270772 11.5582 -117.136 45.9142 # jumping subtree containing T0136:T 217 (6) jump= 0.876543 -0.244002 -0.350941 0.221306 -71.5405 78.3137 87.6541 # generation 76: best score out of 40: T0136.try1-al10 59.0016 cost/residue, 186 clashes 0.065272 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 347 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 998 ## OptSubtree 435 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 280 (69) jump= 0.903889 -0.109077 -0.196784 -0.363817 -57.2198 -132.152 81.1406 # Removing break before 30 # jumping subtree containing T0136:K 250 (39) jump= -0.0536191 -0.0258294 -0.921827 -0.383004 -315.252 32.9795 -19.4388 # generation 77: best score out of 40: T0136.try1-al10 59.0014 cost/residue, 186 clashes 0.0652119 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 348 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1015 ## OptSubtree 441 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 269 (58) jump= 0.759996 0.0325936 0.644136 0.0802013 -115.035 18.7204 -168.597 # Removing break before 30 # Removing break before 30 # Removing break before 19 # generation 78: best score out of 40: T0136.try1-al10 58.9958 cost/residue, 186 clashes 0.0718209 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 349 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1034 ## OptSubtree 445 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= 0.666241 0.080847 0.692554 -0.264492 -178.987 -39.479 -183.2 # jumping subtree containing T0136:Y 305 (94) jump= 0.0286479 0.151032 -0.398899 -0.904018 -327.129 -7.51911 -43.709 # jumping subtree containing T0136:D 241 (30) jump= -0.940431 -0.0431635 0.0973777 0.322869 -25.6624 -98.102 22.0444 # generation 79: best score out of 40: T0136.try1-al10 58.9958 cost/residue, 186 clashes 0.0718209 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 349 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1059 ## OptSubtree 452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 255 (44) jump= -0.458438 -0.471145 -0.723907 -0.209323 -145.719 127.898 -88.8057 # jumping subtree containing T0136:N 315 (104) jump= -0.82297 -0.421781 0.354058 0.139515 -62.8042 -104.484 81.119 # jumping subtree containing T0136:D 304 (93) jump= 0.825744 -0.18193 -0.533573 -0.0186657 -111.515 18.3572 124.955 # Removing break before 30 # Removing break before 30 # jumping subtree containing T0136:D 304 (93) jump= -0.643537 0.710869 0.18625 -0.214092 -18.3513 50.302 -70.8343 # jumping subtree containing T0136:K 250 (39) jump= -0.487286 -0.638778 0.588525 -0.0902921 -119.043 -130.523 76.9175 # jumping subtree containing T0136:W 302 (91) jump= 0.550905 -0.555931 -0.374243 0.49738 -112.96 145.601 -65.1551 # Removing break before 98 # generation 80: best score out of 40: T0136.try1-al10 58.9958 cost/residue, 186 clashes 0.0718209 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 349 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1083 ## OptSubtree 463 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 98 # jumping subtree containing T0136:T 217 (6) jump= 0.199776 -0.650677 -0.341722 -0.648024 -122.283 -27.8552 145.783 # Removing break before 19 # jumping subtree containing T0136:K 250 (39) jump= -0.995548 -0.0778678 0.0186329 -0.0497369 6.74842 25.6752 3.56434 # jumping subtree containing T0136:I 230 (19) jump= -0.762614 -0.173403 0.620176 0.0610981 -152.806 -55.3819 147.963 # jumping subtree containing T0136:G 213 (2) jump= -0.794194 0.200781 -0.054713 -0.570919 -102.943 144.524 -36.9156 # generation 81: best score out of 40: T0136.try1-al10 58.9943 cost/residue, 184 clashes 0.0718209 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1098 ## OptSubtree 473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= 0.170353 0.366478 0.561738 -0.721889 -225.879 -0.780781 -116.534 # jumping subtree containing T0136:I 230 (19) jump= -0.331295 0.695411 0.191155 -0.608365 -147.3 87.8129 -165.306 # jumping subtree containing T0136:K 309 (98) jump= -0.563249 -0.0610844 0.747031 -0.347798 -240.632 17.9279 105.645 # generation 82: best score out of 40: T0136.try1-al10 58.9943 cost/residue, 184 clashes 0.0718212 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1122 ## OptSubtree 477 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.58214 -0.139818 0.490365 -0.633329 -182.292 -131.91 -90.3346 # Removing break before 30 # jumping subtree containing T0136:D 304 (93) jump= 0.972779 -0.180486 -0.142362 -0.0293148 -23.1646 14.2007 23.4003 # jumping subtree containing T0136:K 250 (39) jump= 0.867545 0.0665495 0.401358 -0.286093 -77.2819 -53.099 -73.2765 # jumping subtree containing T0136:K 250 (39) jump= 0.195722 -0.500101 -0.146635 -0.830717 -181.816 -44.8173 97.6816 # jumping subtree containing T0136:G 213 (2) jump= 0.164101 0.810835 0.0895706 -0.554612 -93.3315 -88.4271 -155.06 # generation 83: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1147 ## OptSubtree 485 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 272 (61) jump= -0.00946855 -0.552543 -0.0695786 0.830521 -163.209 -18.8962 -98.1419 # jumping subtree containing T0136:V 292 (81) jump= -0.998353 -0.0310292 0.0183901 0.0446104 27.232 -17.3179 14.8571 # jumping subtree containing T0136:T 217 (6) jump= 0.954688 0.150832 0.185417 -0.177318 -4.88602 -33.159 -69.9985 # generation 84: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1165 ## OptSubtree 491 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.616128 -0.666647 -0.411682 0.0805363 -71.047 90.7962 28.3155 # jumping subtree containing T0136:K 250 (39) jump= -0.997084 -0.0230034 0.0602087 0.0408483 6.77342 -8.77486 7.4225 # jumping subtree containing T0136:K 309 (98) jump= 0.865972 0.382081 -0.217004 0.23878 -40.9848 24.6197 69.9883 # Removing break before 30 # jumping subtree containing T0136:V 282 (71) jump= -0.580242 0.687427 -0.019273 0.436339 -44.7672 -75.0365 51.2949 # generation 85: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1177 ## OptSubtree 503 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 241 (30) jump= -0.557328 0.503285 0.480018 0.453511 -148.668 16.9716 136.103 # jumping subtree containing T0136:L 255 (44) jump= 0.64073 -0.0680539 0.465092 0.607061 -141.597 99.4428 -108.178 # jumping subtree containing T0136:I 230 (19) jump= -0.842927 -0.338911 -0.38669 -0.158384 -23.9388 65.0192 -61.8507 # generation 86: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1191 ## OptSubtree 513 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 304 (93) jump= -0.497116 0.248942 -0.776222 -0.297292 -210.169 -29.29 -131.635 # jumping subtree containing T0136:A 313 (102) jump= -0.870638 -0.436392 0.226511 0.0155966 -16.1115 -33.461 101.76 # jumping subtree containing T0136:K 250 (39) jump= 0.596682 -0.39319 0.690178 -0.114133 -155.678 -112.656 -126.616 # Removing break before 30 # jumping subtree containing T0136:Y 305 (94) jump= 0.776034 -0.57425 -0.246371 0.0855001 -26.0125 44.1676 6.40606 # Removing break before 98 # generation 87: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1209 ## OptSubtree 519 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 15 # jumping subtree containing T0136:A 310 (99) jump= 0.249649 0.770617 -0.579122 -0.0918839 -96.3096 -144.754 46.7314 # jumping subtree containing T0136:A 310 (99) jump= -0.608617 -0.358855 -0.301605 -0.64019 -156.658 132.952 22.1525 # generation 88: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718208 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1230 ## OptSubtree 522 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= -0.25419 -0.278964 0.411367 0.829665 -247.392 -128.166 -23.9844 # jumping subtree containing T0136:I 230 (19) jump= -0.121407 0.717946 0.484386 -0.484957 -113.117 51.8355 -126.631 # generation 89: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1242 ## OptSubtree 534 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:K 250 (39) jump= -0.746777 0.227724 0.403985 0.47672 -107.17 -74.2687 116.038 # jumping subtree containing T0136:T 217 (6) jump= -0.461127 0.803516 -0.00491525 -0.37643 -77.2589 -20.2067 -143.782 # generation 90: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1255 ## OptSubtree 545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 271 (60) jump= 0.750879 -0.346271 -0.10423 0.552641 -84.0249 101.423 -42.2136 # jumping subtree containing T0136:F 254 (43) jump= 0.953939 0.00834497 -0.147916 0.260866 -12.839 64.9754 20.2686 # jumping subtree containing T0136:D 280 (69) jump= 0.499335 -0.730724 0.368788 0.284082 -98.6196 -62.6016 -116.909 # Removing break before 30 # generation 91: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.071821 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1269 ## OptSubtree 555 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 309 (98) jump= -0.803401 -0.472512 0.1571 0.326495 -25.2336 -114.35 21.7363 # generation 92: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.071821 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1286 ## OptSubtree 562 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.0831004 0.0439907 0.664938 -0.740957 -283.92 -19.0807 -36.7097 # jumping subtree containing T0136:L 255 (44) jump= -0.747235 -0.167855 0.383521 0.516117 -99.2083 -138.899 54.7549 # generation 93: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1302 ## OptSubtree 570 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 292 (81) jump= -0.50995 -0.689305 -0.310558 0.410322 -68.2636 -51.7532 -129.352 # Removing break before 30 # jumping subtree containing T0136:D 271 (60) jump= 0.824288 -0.116366 0.538286 -0.131368 -80.2688 -43.3398 -127.28 # jumping subtree containing T0136:L 255 (44) jump= -0.0296377 0.273692 0.929412 -0.245779 -276.791 63.2151 -18.3889 # jumping subtree containing T0136:I 230 (19) jump= -0.453951 -0.590301 -0.0121624 0.667326 -150.562 -142.033 -118.592 # jumping subtree containing T0136:K 250 (39) jump= -0.0360686 0.256953 0.673354 0.692292 -302.478 31.0082 106.466 # generation 94: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1315 ## OptSubtree 581 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 230 (19) jump= 0.695314 -0.0620634 -0.714143 0.0518199 -180.831 21.3942 136.982 # jumping subtree containing T0136:K 250 (39) jump= -0.0475599 -0.399165 -0.335887 -0.851813 -295.66 16.4808 107.8 # jumping subtree containing T0136:I 230 (19) jump= -0.66979 -0.32823 -0.0957454 -0.65915 -130.879 125.661 67.1426 # generation 95: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1329 ## OptSubtree 591 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.878283 0.0306427 -0.118598 0.462185 -99.1203 97.3073 55.196 # jumping subtree containing T0136:T 217 (6) jump= 0.790777 -0.354961 0.4911 -0.0865755 -60.0666 -77.6391 -105.385 # jumping subtree containing T0136:Y 305 (94) jump= -0.951349 -0.166988 -0.103034 -0.237557 -23.1735 63.7869 -20.2777 # Removing break before 30 # Removing break before 30 # generation 96: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1342 ## OptSubtree 602 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.982377 -0.0421182 0.181805 0.0103713 -41.6438 6.0304 -65.215 # Removing break before 98 # Removing break before 39 # jumping subtree containing T0136:V 308 (97) jump= 0.548486 -0.00698762 0.303427 0.779132 -265.982 90.6008 -30.5618 # jumping subtree containing T0136:K 250 (39) jump= -0.714653 0.531147 -0.0266218 0.454362 -46.9163 -157.415 56.6048 # jumping subtree containing T0136:K 250 (39) jump= -0.364787 0.626923 -0.658231 0.20157 -200.234 -213.027 -56.8908 # Removing break before 30 # generation 97: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1359 ## OptSubtree 609 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 226 (15) jump= -0.0400439 0.398896 -0.252811 -0.880548 -308.672 -56.3824 -110.097 # jumping subtree containing T0136:D 241 (30) jump= 0.975102 -0.0424592 0.102019 0.192264 -19.255 61.1754 -41.1335 # jumping subtree containing T0136:A 310 (99) jump= -0.310194 -0.51991 -0.0955231 0.790157 -141.726 -76.903 -118.352 # jumping subtree containing T0136:V 211 (0) jump= -0.467277 0.54563 0.258258 -0.645943 -149.395 133.557 -59.9773 # Removing break before 39 # jumping subtree containing T0136:K 250 (39) jump= 0.997446 -0.0439309 0.0399105 0.0397359 -4.9023 9.79189 8.59692 # generation 98: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1375 ## OptSubtree 617 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 217 (6) jump= -0.482221 0.534068 -0.599038 -0.351265 -165.874 -65.3567 -162.75 # Removing break before 19 # jumping subtree containing T0136:V 272 (61) jump= 0.284665 -0.660535 0.679255 -0.145853 -156.238 -184.883 -12.248 # jumping subtree containing T0136:V 282 (71) jump= 0.562126 -0.115004 -0.744835 -0.3406 -193.56 -19.8722 110.313 # jumping subtree containing T0136:T 217 (6) jump= 0.950258 0.279512 0.130711 0.0423985 -22.0437 11.3203 -30.8673 # jumping subtree containing T0136:V 282 (71) jump= -0.913129 -0.333237 0.0742894 -0.222776 -12.6197 60.7888 34.2246 # Removing break before 98 # jumping subtree containing T0136:D 241 (30) jump= -0.39421 0.212836 0.0795517 -0.890489 -232.501 72.8681 -60.7312 # jumping subtree containing T0136:K 250 (39) jump= 0.885704 -0.191844 -0.365892 -0.211772 -20.5173 -68.4013 134.654 # Removing break before 30 # jumping subtree containing T0136:D 291 (80) jump= 0.49371 0.828632 0.0845998 -0.249926 -4.77337 -10.7792 -35.3951 # jumping subtree containing T0136:L 255 (44) jump= 0.62353 0.102807 0.109893 -0.767179 -139.199 -157.485 -45.1661 # generation 99: best score out of 40: T0136.try1-al10 58.9942 cost/residue, 184 clashes 0.0718205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1387 ## OptSubtree 629 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 250 (39) jump= 0.240261 0.638902 -0.136544 -0.717938 -128.596 -154.217 -53.9376 # Removing break before 19 # jumping subtree containing T0136:V 292 (81) jump= -0.713026 0.437074 -0.347392 -0.424121 -98.3118 57.7514 -151.493 # jumping subtree containing T0136:G 213 (2) jump= 0.866879 0.180542 0.464617 0.00751168 -77.8002 44.6466 -140.462 # jumping subtree containing T0136:W 302 (91) jump= 0.463623 0.362343 0.518942 0.620048 -191.257 102.698 43.5659 # generation 100: best score out of 40: T0136.try1-al10 58.9939 cost/residue, 184 clashes 0.0717601 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 351 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 24 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 1403 ## OptSubtree 636 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # command:# naming current conformation T0136.try1-opt # command:# command:# request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1282849979.pdb -s /projects/compbio/tmp/to_scwrl_1282849979.seq -o /projects/compbio/tmp/from_scwrl_1282849979.pdb -a /projects/compbio/tmp/from_scwrl_1282849979_a.pdb -b /projects/compbio/tmp/from_scwrl_1282849979_b.pdb > /projects/compbio/tmp/scwrl_1282849979.log # conformation set from SCWRL output # command:# naming current conformation T0136.try1-opt-scwrl # command:# command:# CostConform T0136.try1-opt-scwrl costs 60.244 T0136.try1-opt costs 58.9939 T0136.try1 costs 74.5062 T0136.try1-al10+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA costs 74.5062 T0136.try1-al10 costs 74.5138 T0136.try1-al8+T0136-1aisA-vit-adpstyle1.pw.a2m.gz:1aisA costs 74.5138 T0136.try1-al8 costs 74.5364 T0136.try1-al6+T0136-1aisA-local-adpstyle1.pw.a2m.gz:1aisA costs 74.5364 T0136.try1-al6 costs 75.3202 T0136.try1-al4+1fchA-T0136-local-adpstyle5.pw.a2m.gz:1fchA costs 75.3202 T0136.try1-al4 costs 77.5941 T0136.try1-al2+T0136-1dguA-local-adpstyle5.pw.a2m.gz:1dguA costs 77.7023 T0136.try1-al2 costs 78.8059 T0136.rand+T0136-1llp-local-adpstyle1.pw.a2m.gz:1llp costs 83.4659 T0136.rand costs 89.5767 # command:CPU_time= 1.25587e+06 msec, elapsed time= 1.8524e+07 msec) # command: