# command:# Seed set to 1030407773 # 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= 10780 msec, elapsed time= 11500.6 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 80 residues and 633 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= 13130 msec, elapsed time= 13844 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= 18090 msec, elapsed time= 18806.2 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= 18090 msec, elapsed time= 18808.1 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/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1ivhA to template set 1ivhA:# found chain 1ivhA in template set T0136 3 :NNNLKLASTMEGRVEQLAEQRQVIE 1ivhA 288 :GHFQLMQGKMADMYTRLMACRQYVY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.81088 Ang CG(160) at 18.896 61.462 -4.168 in (null):R-9999 (21) and OE2(198) at 18.6857 61.7512 -1.37996 in (null):E-9999 (25) other bump:2.86071 Ang CG(5) at 12.2608 70.6003 -22.3704 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.209 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.59243 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and SD(73) at 12.621 68.061 -20.152 in (null):M-9999 (10) other bump:1.96332 Ang O(0) at 12.694 69.531 -27.492 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) other bump:2.61026 Ang C(1) at 12.894 70.71 -27.21 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=2 Number of alignments=1 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 4 :NNLKLASTMEGRVEQLAEQRQVIE 1ivhA 289 :HFQLMQGKMADMYTRLMACRQYVY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.81088 Ang CG(152) at 18.896 61.462 -4.168 in (null):R-9999 (20) and OE2(190) at 18.6857 61.7512 -1.37996 in (null):E-9999 (24) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=4 Number of alignments=2 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1bpoA to template set 1bpoA:# found chain 1bpoA in template set T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 431 :ESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.57718 Ang OE2(83) at 85.3878 79.6887 34.5664 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.91585 Ang CD(81) at 86.4898 79.4202 35.0947 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.65689 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CD2(287) at 89.052 79.899 32.741 in (null):L-9999 (36) other bump:2.68421 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CB(284) at 88.297 77.525 32.346 in (null):L-9999 (36) other bump:2.41231 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.87161 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.46022 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.18383 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.619 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.38375 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.5706 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.86396 Ang CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.43866 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.55944 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:0.344623 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.99912 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.83376 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:1.77199 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.23086 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.66136 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.3808 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:3.14882 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and C(221) at 79.033 82.239 27.155 in (null):T-9999 (28) other bump:2.51727 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE2(212) at 80.4874 86.4798 32.6953 in (null):Q-9999 (27) other bump:1.63339 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:0.435765 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.75718 Ang CA(12) at 83.142 85.744 29.893 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.34496 Ang CB(13) at 82.0406 84.7951 29.378 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.79507 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:1.35441 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:2.2115 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CG(209) at 79.1927 84.4366 32.7415 in (null):Q-9999 (27) other bump:2.90526 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:2.50706 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:3.02431 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CD(201) at 74.844 88.045 35.598 in (null):K-9999 (26) other bump:3.13326 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CG(200) at 74.598 87.326 34.321 in (null):K-9999 (26) other bump:2.94432 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and NE(128) at 82.732 87.9522 40.2662 in (null):R-9999 (17) other bump:2.64218 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and CD(127) at 82.9511 86.6456 40.8791 in (null):R-9999 (17) other bump:2.7612 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) other bump:2.86498 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) other bump:2.1717 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.58518 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.91556 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) Number of specific fragments= 1 total=5 Number of alignments=3 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 17 :EQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 430 :YESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.57718 Ang OE2(92) at 85.3878 79.6887 34.5664 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.91585 Ang CD(90) at 86.4898 79.4202 35.0947 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.65689 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CD2(296) at 89.052 79.899 32.741 in (null):L-9999 (37) other bump:2.68421 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CB(293) at 88.297 77.525 32.346 in (null):L-9999 (37) other bump:2.41232 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.87162 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.46022 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.18383 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.619 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.38375 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.5706 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.86396 Ang CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.43866 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.55944 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:0.344623 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.99912 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.83376 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:1.77199 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.23086 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.66136 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.3808 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:1.65086 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:1.35182 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:2.19186 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:0.404315 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.23981 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:2.35586 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.61781 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:1.47205 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.15122 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.87991 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.76345 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NE(241) at 84.8748 82.4613 24.3943 in (null):R-9999 (31) other bump:3.14883 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and C(230) at 79.033 82.239 27.155 in (null):T-9999 (29) other bump:2.51724 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE2(221) at 80.4874 86.4798 32.6953 in (null):Q-9999 (28) other bump:1.63337 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:0.435744 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.75718 Ang CA(21) at 83.142 85.744 29.893 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.34495 Ang CB(22) at 82.0406 84.7951 29.378 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.79505 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:1.35439 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:2.2115 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CG(218) at 79.1927 84.4366 32.7415 in (null):Q-9999 (28) other bump:2.90524 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:2.50708 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:3.02431 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CD(210) at 74.844 88.045 35.598 in (null):K-9999 (27) other bump:3.13326 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CG(209) at 74.598 87.326 34.321 in (null):K-9999 (27) other bump:2.94432 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and NE(137) at 82.732 87.9522 40.2662 in (null):R-9999 (18) other bump:2.64218 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and CD(136) at 82.9511 86.6456 40.8791 in (null):R-9999 (18) other bump:2.76121 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) other bump:2.86499 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) other bump:2.1717 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.58519 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.91557 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) Number of specific fragments= 1 total=6 Number of alignments=4 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1fuoA to template set 1fuoA:# found chain 1fuoA in template set T0136 15 :RVEQLAEQRQ 1fuoA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.47051 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:2.56309 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:1.89294 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:2.46669 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:3.16523 Ang CG(241) at 139.507 131.608 77.5249 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) neighbor-bump: 2.55713 Ang O(91) at 128.628 158.539 69.488 in (null):Q-9999 (12) and CD2(97) at 126.819 156.899 70.2477 in (null):H-9999 (13) other bump:1.92099 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:0.821144 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:2.83133 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) other bump:1.84608 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) T0136 64 :AFRKHRTTL 1fuoA 407 :MLVTALNTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 3 total=9 Number of alignments=5 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDP 1fuoA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.55713 Ang O(135) at 128.628 158.539 69.488 in (null):Q-9999 (17) and CD2(141) at 126.819 156.899 70.2477 in (null):H-9999 (18) other bump:1.92099 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:0.821144 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:2.83133 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) other bump:1.84608 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) Number of specific fragments= 1 total=10 Number of alignments=6 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1furA to template set 1furA:# found chain 1furA in template set T0136 15 :RVEQLAEQRQ 1furA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLD 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) T0136 61 :EVGAFRKHRTTLFGM 1furA 404 :ESLMLVTALNTHIGY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.74458 Ang CA(19) at 141.848 128.357 79.259 in (null):G-9999 (3) and NH2(46) at 141.658 126.227 80.9796 in (null):R-9999 (6) Number of specific fragments= 3 total=13 Number of alignments=7 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1furA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:0.796205 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.92454 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.83592 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.85112 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.82604 Ang CG(14) at 107.952 155.593 61.6794 in (null):R-9999 (2) and OE2(52) at 109.828 153.71 62.6403 in (null):E-9999 (6) Number of specific fragments= 1 total=14 Number of alignments=8 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 2 :ENNNLKLASTMEGRVEQLAEQRQVIEAGG 1ivhA 7 :DDAINGLSEEQRQLRQTMAKFLQEHLAPK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.64517 Ang CG(160) at 29.471 78.8127 1.54942 in (null):Q-9999 (21) and CD1(198) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) other bump:2.39786 Ang CB(137) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and NH2(174) at 26.3628 71.3668 -0.676763 in (null):R-9999 (22) other bump:2.87276 Ang CD2(140) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and NH1(173) at 28.4972 71.5621 0.159907 in (null):R-9999 (22) other bump:2.75051 Ang CB(137) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and CZ(172) at 27.6183 71.7837 -0.815891 in (null):R-9999 (22) other bump:2.58971 Ang CG(22) at 12.348 68.1902 1.00366 in (null):N-9999 (3) and OE2(92) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.0016 Ang OD1(24) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and OE2(92) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.6419 Ang OD1(24) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and CD(90) at 13.5157 68.9918 4.25532 in (null):E-9999 (12) neighbor-bump: 2.34936 Ang N(27) at 11.91 64.299 -1.088 in (null):N-9999 (4) and N(35) at 13.262 62.415 -0.711 in (null):L-9999 (5) other bump:1.78067 Ang CG(14) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:1.16277 Ang ND2(15) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.14862 Ang OD1(16) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.64177 Ang CG(14) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.46649 Ang ND2(15) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.42937 Ang OD1(16) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) Number of specific fragments= 1 total=15 Number of alignments=9 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 1 :AENNNLKLASTMEGRVEQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1ivhA 6 :VDDAINGLSEEQRQLRQTMAKFLQEHLAPKAQEIDRSNEFKNLREFWKQLGNLGVLGI Fragment has 48 clashes (null) has 48 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:2.5903 Ang O(391) at 33.625 73.34 6.846 in (null):L-9999 (49) and CD(437) at 34.2221 70.8604 7.2984 in (null):P-9999 (55) other bump:3.18893 Ang C(392) at 34.607 73.872 6.323 in (null):L-9999 (49) and CD(437) at 34.2221 70.8604 7.2984 in (null):P-9999 (55) neighbor-bump: 2.58528 Ang N(425) at 31.696 71.046 7.816 in (null):D-9999 (54) and CD(437) at 34.2221 70.8604 7.2984 in (null):P-9999 (55) other bump:3.16839 Ang C(392) at 34.607 73.872 6.323 in (null):L-9999 (49) and CG(436) at 35.6634 70.9281 6.82899 in (null):P-9999 (55) other bump:3.14618 Ang N(393) at 35.75 74.07 6.968 in (null):N-9999 (50) and CG(436) at 35.6634 70.9281 6.82899 in (null):P-9999 (55) other bump:3.14608 Ang CA(394) at 35.896 73.67 8.354 in (null):N-9999 (50) and CG(436) at 35.6634 70.9281 6.82899 in (null):P-9999 (55) other bump:2.45966 Ang CD2(143) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and OD1(429) at 29.587 72.2617 4.69803 in (null):D-9999 (54) other bump:2.39897 Ang NE2(166) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD2(414) at 29.468 77.238 5.972 in (null):L-9999 (52) other bump:3.0204 Ang CD(164) at 29.9711 78.4757 2.93703 in (null):Q-9999 (21) and CD1(413) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.33796 Ang NE2(166) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD1(413) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.9517 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.99704 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.24514 Ang CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.53237 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH1(381) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.83174 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH1(381) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.56896 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.78472 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.44169 Ang CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:1.85307 Ang CG(327) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and NH2(362) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.21861 Ang CD(328) at 44.1835 72.0709 -2.59844 in (null):K-9999 (42) and NH2(362) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.55689 Ang CG(327) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and CZ(360) at 43.0111 71.853 0.32149 in (null):R-9999 (46) other bump:2.56231 Ang CD(254) at 38.8942 73.1315 -8.54206 in (null):R-9999 (33) and OG(308) at 40.8531 73.3795 -6.90908 in (null):S-9999 (39) other bump:2.12455 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.01398 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:1.43739 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.58839 Ang NH1(246) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:2.74099 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.80029 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:0.795023 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.22779 Ang NH1(246) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.52821 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.30112 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.57912 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.72751 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CG(280) at 43.2527 77.8976 -14.4889 in (null):K-9999 (36) other bump:2.64517 Ang CG(163) at 29.471 78.8127 1.54942 in (null):Q-9999 (21) and CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) other bump:2.39786 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and NH2(177) at 26.3628 71.3668 -0.676763 in (null):R-9999 (22) other bump:2.87276 Ang CD2(143) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and NH1(176) at 28.4972 71.5621 0.159907 in (null):R-9999 (22) other bump:2.75051 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and CZ(175) at 27.6183 71.7837 -0.815891 in (null):R-9999 (22) other bump:2.58971 Ang CG(25) at 12.348 68.1902 1.00366 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.0016 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.6419 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and CD(93) at 13.5157 68.9918 4.25532 in (null):E-9999 (12) neighbor-bump: 2.34936 Ang N(30) at 11.91 64.299 -1.088 in (null):N-9999 (4) and N(38) at 13.262 62.415 -0.711 in (null):L-9999 (5) other bump:1.78067 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:1.16277 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.14862 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.64177 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.46649 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.42937 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) T0136 64 :AFRKHRTTLFGMDKAVV 1ivhA 65 :APVQYGGSGLGYLEHVL Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.87366 Ang CD2(86) at 25.6874 66.3932 10.8364 in (null):F-9999 (10) and CD(116) at 23.5001 65.3314 9.30463 in (null):K-9999 (14) other bump:1.63939 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CZ(89) at 26.625 68.5631 11.3677 in (null):F-9999 (10) other bump:2.76384 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CE2(88) at 25.528 67.774 11.0208 in (null):F-9999 (10) other bump:0.63829 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:1.80651 Ang CB(68) at 29.5196 67.9646 12.308 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:3.074 Ang CA(67) at 29.882 67.731 13.861 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:2.65458 Ang OG1(70) at 30.226 69.1706 11.9066 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:1.77995 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CD1(85) at 28.0283 66.5771 11.3507 in (null):F-9999 (10) other bump:2.25067 Ang CB(68) at 29.5196 67.9646 12.308 in (null):T-9999 (8) and CD1(85) at 28.0283 66.5771 11.3507 in (null):F-9999 (10) other bump:2.86235 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CG(84) at 26.9343 65.7872 10.9997 in (null):F-9999 (10) other bump:2.80789 Ang CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.0817 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.11207 Ang CA(8) at 33.177 63.28 17.142 in (null):F-9999 (2) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.44291 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.66625 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CD1(77) at 29.6813 65.1502 18.8355 in (null):L-9999 (9) other bump:2.90772 Ang CA(19) at 32.158 66.647 18.552 in (null):R-9999 (3) and CD1(77) at 29.6813 65.1502 18.8355 in (null):L-9999 (9) other bump:1.92076 Ang CB(20) at 30.7446 66.7019 19.2241 in (null):R-9999 (3) and CD1(77) at 29.6813 65.1502 18.8355 in (null):L-9999 (9) other bump:3.06237 Ang CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:2.28911 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:2.97074 Ang CA(19) at 32.158 66.647 18.552 in (null):R-9999 (3) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:2.69244 Ang CB(20) at 30.7446 66.7019 19.2241 in (null):R-9999 (3) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:3.17952 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:1.20267 Ang O(5) at 32.58 64.623 14.757 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:2.56837 Ang N(2) at 32.933 63.237 12.283 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:2.41365 Ang CA(3) at 33.901 63.167 13.378 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:2.74586 Ang CB(4) at 35.145 63.985 13.036 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:1.95428 Ang C(6) at 33.317 63.63 14.708 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:1.70451 Ang O(5) at 32.58 64.623 14.757 in (null):A-9999 (1) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.03584 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.70989 Ang CA(19) at 32.158 66.647 18.552 in (null):R-9999 (3) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.43109 Ang C(6) at 33.317 63.63 14.708 in (null):A-9999 (1) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.70904 Ang N(7) at 33.667 62.939 15.81 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.42625 Ang CA(8) at 33.177 63.28 17.142 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:1.77068 Ang O(16) at 34.303 65.403 17.202 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:1.56238 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:1.60041 Ang O(5) at 32.58 64.623 14.757 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:3.15308 Ang CA(3) at 33.901 63.167 13.378 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:3.12565 Ang CB(4) at 35.145 63.985 13.036 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.28339 Ang C(6) at 33.317 63.63 14.708 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:3.08638 Ang N(7) at 33.667 62.939 15.81 in (null):F-9999 (2) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.45304 Ang O(16) at 34.303 65.403 17.202 in (null):F-9999 (2) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.82727 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.42588 Ang CD2(12) at 33.8213 63.1639 20.5766 in (null):F-9999 (2) and CB(31) at 35.4051 64.7224 21.5501 in (null):K-9999 (4) other bump:2.68665 Ang CE2(14) at 33.1951 63.2168 21.8103 in (null):F-9999 (2) and CB(31) at 35.4051 64.7224 21.5501 in (null):K-9999 (4) other bump:3.19286 Ang CD2(12) at 33.8213 63.1639 20.5766 in (null):F-9999 (2) and CA(30) at 34.991 66.1 21.03 in (null):K-9999 (4) Number of specific fragments= 2 total=17 Number of alignments=10 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 4 :NNLKLASTM 1fuoA 43 :SLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1fuoA 67 :EEKASAIRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42789 Ang CZ(88) at 102.174 169.539 45.1969 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.00768 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.28237 Ang NH2(90) at 103.067 168.638 45.585 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.83562 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CG1(112) at 104.046 171.325 47.189 in (null):I-9999 (14) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLLNESL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.56309 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.47051 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.46669 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:3.16523 Ang CG(219) at 139.507 131.608 77.5249 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:1.89294 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) T0136 64 :AFRKHRTTLFGMDK 1fuoA 407 :MLVTALNTHIGYDK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.41146 Ang CE2(88) at 151.525 116.489 79.1741 in (null):F-9999 (10) and CG(115) at 150.196 114.52 79.587 in (null):K-9999 (14) other bump:1.81412 Ang CE2(88) at 151.525 116.489 79.1741 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) other bump:2.79814 Ang CZ(89) at 152.555 115.549 79.1033 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) other bump:2.43531 Ang CD2(86) at 151.36 117.42 78.1489 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) Number of specific fragments= 4 total=21 Number of alignments=11 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 2 :ENNNLKLASTM 1fuoA 23 :GAQTQRSLEHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.3887 Ang CD1(56) at 88.6906 163.421 56.2324 in (null):L-9999 (7) and SD(82) at 89.5236 161.436 57.2679 in (null):M-9999 (11) T0136 13 :EGRVEQLAEQRQVIEAGG 1fuoA 67 :EEKASAIRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42789 Ang CZ(88) at 102.174 169.539 45.1969 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.00768 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.28237 Ang NH2(90) at 103.067 168.638 45.585 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.83562 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CG1(112) at 104.046 171.325 47.189 in (null):I-9999 (14) T0136 31 :GERRVEKQHSQGKQTARERLNNLL 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) T0136 60 :DEVGAFRKHRTTLFGMDKA 1fuoA 403 :NESLMLVTALNTHIGYDKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.41146 Ang CE2(116) at 151.525 116.489 79.1741 in (null):F-9999 (14) and CG(143) at 150.196 114.52 79.587 in (null):K-9999 (18) other bump:1.81412 Ang CE2(116) at 151.525 116.489 79.1741 in (null):F-9999 (14) and CB(142) at 149.795 115.961 79.312 in (null):K-9999 (18) other bump:2.79814 Ang CZ(117) at 152.555 115.549 79.1033 in (null):F-9999 (14) and CB(142) at 149.795 115.961 79.312 in (null):K-9999 (18) other bump:2.43531 Ang CD2(114) at 151.36 117.42 78.1489 in (null):F-9999 (14) and CB(142) at 149.795 115.961 79.312 in (null):K-9999 (18) other bump:2.55389 Ang CA(27) at 141.579 128.498 79.591 in (null):G-9999 (4) and NH2(54) at 141.309 126.428 81.0616 in (null):R-9999 (7) other bump:3.07807 Ang CA(27) at 141.579 128.498 79.591 in (null):G-9999 (4) and CZ(52) at 142.454 125.807 80.8024 in (null):R-9999 (7) other bump:2.15348 Ang O(0) at 143.627 134.554 77.171 in (null):G-9999 (0) and CE1(41) at 144.457 133.615 75.4198 in (null):F-9999 (6) other bump:2.94621 Ang C(1) at 143.723 135.771 77.289 in (null):G-9999 (0) and CE1(41) at 144.457 133.615 75.4198 in (null):F-9999 (6) Number of specific fragments= 4 total=25 Number of alignments=12 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 4 :NNLKLASTM 1furA 43 :SLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLLD 1furA 379 :GMESFNKHCAVGIEPNRERINQLLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues T0136 61 :EVGAFRKHRTTLFGMDK 1furA 404 :ESLMLVTALNTHIGYDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.3742 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CG(135) at 150.307 114.461 79.496 in (null):K-9999 (17) other bump:2.40915 Ang CD2(106) at 151.271 117.42 77.9904 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:1.62416 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:2.54548 Ang CZ(109) at 152.416 115.608 79.1052 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:3.00053 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CA(133) at 148.468 116.194 79.725 in (null):K-9999 (17) other bump:2.74458 Ang CA(19) at 141.848 128.357 79.259 in (null):G-9999 (3) and NH2(46) at 141.658 126.227 80.9796 in (null):R-9999 (6) Number of specific fragments= 4 total=29 Number of alignments=13 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 2 :ENNNLKLASTM 1furA 23 :GAQTQRSLEHF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLL 1furA 379 :GMESFNKHCAVGIEPNRERINQLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues T0136 60 :DEVGAFRKHRTTLFGMDKA 1furA 403 :NESLMLVTALNTHIGYDKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.3742 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CG(143) at 150.307 114.461 79.496 in (null):K-9999 (18) other bump:2.40915 Ang CD2(114) at 151.271 117.42 77.9904 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:1.62416 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:2.54548 Ang CZ(117) at 152.416 115.608 79.1052 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:3.00053 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CA(141) at 148.468 116.194 79.725 in (null):K-9999 (18) other bump:2.74458 Ang CA(27) at 141.848 128.357 79.259 in (null):G-9999 (4) and NH2(54) at 141.658 126.227 80.9796 in (null):R-9999 (7) other bump:2.22896 Ang O(0) at 143.905 134.23 76.896 in (null):G-9999 (0) and CE1(41) at 144.702 133.391 74.9906 in (null):F-9999 (6) other bump:2.96709 Ang C(1) at 143.983 135.449 77.004 in (null):G-9999 (0) and CE1(41) at 144.702 133.391 74.9906 in (null):F-9999 (6) Number of specific fragments= 4 total=33 Number of alignments=14 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AENNN 1bpoA 1 :MAQIL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:3.19915 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.64521 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:3.04873 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.80055 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.98988 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.00257 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.86548 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.90996 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLVKSVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.02869 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and CE1(222) at 89.1882 76.3524 42.0379 in (null):H-9999 (27) other bump:2.56212 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:3.16943 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:2.26397 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CG(219) at 87.9472 75.3444 40.5319 in (null):H-9999 (27) other bump:3.00947 Ang CD(10) at 84.7776 76.3155 41.4246 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:1.88295 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) self-bump: 1.39809 Ang CA(217) at 87.055 73.229 39.671 in (null):H-9999 (27) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:3.11432 Ang C(192) at 87.793 75.537 33.697 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) other bump:2.41023 Ang O(191) at 88.398 75.133 34.649 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) self-bump: 1.38834 Ang CA(210) at 88.755 71.494 36.807 in (null):P-9999 (26) and CB(211) at 89.9011 72.2737 36.7296 in (null):P-9999 (26) other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 3 total=36 Number of alignments=15 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLVKSVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.02869 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and CE1(222) at 89.1882 76.3524 42.0379 in (null):H-9999 (27) other bump:2.56212 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:3.16943 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:2.26397 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CG(219) at 87.9472 75.3444 40.5319 in (null):H-9999 (27) other bump:3.00947 Ang CD(10) at 84.7776 76.3155 41.4246 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:1.88295 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) self-bump: 1.39809 Ang CA(217) at 87.055 73.229 39.671 in (null):H-9999 (27) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:3.11432 Ang C(192) at 87.793 75.537 33.697 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) other bump:2.41023 Ang O(191) at 88.398 75.133 34.649 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) self-bump: 1.38834 Ang CA(210) at 88.755 71.494 36.807 in (null):P-9999 (26) and CB(211) at 89.9011 72.2737 36.7296 in (null):P-9999 (26) other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 2 total=38 Number of alignments=16 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 3 :NNNLKLASTMEGRVEQLAEQRQVIE 1ivhA 288 :GHFQLMQGKMADMYTRLMACRQYVY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.81088 Ang CG(160) at 18.896 61.462 -4.168 in (null):R-9999 (21) and OE2(198) at 18.6857 61.7512 -1.37996 in (null):E-9999 (25) other bump:2.86071 Ang CG(5) at 12.2608 70.6003 -22.3704 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.209 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.59243 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and SD(73) at 12.621 68.061 -20.152 in (null):M-9999 (10) other bump:1.96332 Ang O(0) at 12.694 69.531 -27.492 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) other bump:2.61026 Ang C(1) at 12.894 70.71 -27.21 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=40 Number of alignments=17 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 4 :NNLKLASTMEGRVEQLAEQRQVIE 1ivhA 289 :HFQLMQGKMADMYTRLMACRQYVY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.81088 Ang CG(152) at 18.896 61.462 -4.168 in (null):R-9999 (20) and OE2(190) at 18.6857 61.7512 -1.37996 in (null):E-9999 (24) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=42 Number of alignments=18 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/1furA-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/1furA-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 6 :L 1furA 33 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 7 :KLAST 1furA 52 :KRAAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 12 :MEGRVEQLAEQRQVIE 1furA 168 :TQTLNEKSRAFADIVK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.9919 Ang CA(68) at 140.994 146.793 58.439 in (null):A-9999 (9) and CD(94) at 143.075 144.709 57.9118 in (null):R-9999 (12) other bump:3.09702 Ang CA(68) at 140.994 146.793 58.439 in (null):A-9999 (9) and CG(93) at 142.427 144.15 59.1812 in (null):R-9999 (12) other bump:3.17063 Ang C(71) at 141.992 147.275 59.491 in (null):A-9999 (9) and CG(93) at 142.427 144.15 59.1812 in (null):R-9999 (12) T0136 28 :AGGGERRVEKQHSQGKQTARERLNNL 1furA 200 :EISGWVAMLEHNLKHIEYSLPHVAEL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:1.53706 Ang O(161) at 109.774 147.884 39.993 in (null):E-9999 (21) and OD1(187) at 110.001 149.297 39.4329 in (null):N-9999 (24) other bump:2.50415 Ang C(162) at 110.488 147.224 40.75 in (null):E-9999 (21) and OD1(187) at 110.001 149.297 39.4329 in (null):N-9999 (24) other bump:3.33997 Ang NE(33) at 134.081 144.377 55.2798 in (null):R-9999 (6) and NZ(72) at 131.546 143.483 53.2971 in (null):K-9999 (10) other bump:2.24149 Ang O(5) at 132.592 141.053 63.076 in (null):A-9999 (1) and OE1(24) at 131.537 143.02 62.867 in (null):E-9999 (5) other bump:2.71588 Ang C(10) at 133.549 143.16 61.048 in (null):G-9999 (2) and OE1(24) at 131.537 143.02 62.867 in (null):E-9999 (5) other bump:2.38817 Ang CA(8) at 133.865 143.432 62.529 in (null):G-9999 (2) and OE1(24) at 131.537 143.02 62.867 in (null):E-9999 (5) T0136 55 :D 1furA 239 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 56 :PHS 1furA 262 :PNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 59 :FDEVGAFR 1furA 306 :IGEISIPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.35605 Ang CA(3) at 133.454 142.747 78.983 in (null):F-9999 (1) and CB(4) at 133.212 142.143 77.7932 in (null):F-9999 (1) T0136 67 :KHRTTLFGM 1furA 344 :DVAINMGGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 8 total=50 Number of alignments=19 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/1furA-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/1furA-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 3 :NNNLKLASTMEGRVE 1furA 101 :QSNMNMNEVLANRAS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.4574 Ang O(75) at 96.303 175.21 42.91 in (null):M-9999 (10) and CG2(105) at 97.4711 175.763 40.8199 in (null):V-9999 (14) other bump:2.80749 Ang CG(46) at 97.9666 167.627 45.869 in (null):L-9999 (6) and CE(74) at 97.5053 168.876 43.3974 in (null):M-9999 (10) T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDPH 1furA 143 :VFPTAMHVAALLALRKQLIPQLKTLTQTLNEKSRAFADIV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.42608 Ang O(288) at 141.926 143.698 64.133 in (null):L-9999 (36) and CD(310) at 143.946 143.894 65.4626 in (null):P-9999 (39) other bump:2.84189 Ang C(289) at 142.17 144.645 63.375 in (null):L-9999 (36) and CD(310) at 143.946 143.894 65.4626 in (null):P-9999 (39) neighbor-bump: 2.67258 Ang N(298) at 144.792 142.998 63.091 in (null):D-9999 (38) and CD(310) at 143.946 143.894 65.4626 in (null):P-9999 (39) other bump:3.12702 Ang CA(267) at 140.994 146.793 58.439 in (null):N-9999 (34) and CG(293) at 142.372 144.08 59.1578 in (null):L-9999 (37) other bump:3.23513 Ang C(273) at 141.992 147.275 59.491 in (null):N-9999 (34) and CG(293) at 142.372 144.08 59.1578 in (null):L-9999 (37) other bump:3.07447 Ang NE2(39) at 104.106 161.852 46.8037 in (null):Q-9999 (5) and CG1(72) at 105.823 160.168 48.7186 in (null):I-9999 (9) T0136 58 :SFDEVGAFRKHRTTLFGMDKAV 1furA 305 :GIGEISIPENEPGSSIMPGKVN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.68701 Ang C(148) at 134.255 157.108 85.386 in (null):M-9999 (18) and CG(152) at 135.76 154.885 85.261 in (null):D-9999 (19) neighbor-bump: 1.87572 Ang O(147) at 134.78 156.249 86.097 in (null):M-9999 (18) and CG(152) at 135.76 154.885 85.261 in (null):D-9999 (19) neighbor-bump: 2.62837 Ang C(148) at 134.255 157.108 85.386 in (null):M-9999 (18) and CB(151) at 134.352 154.544 84.8174 in (null):D-9999 (19) neighbor-bump: 2.17443 Ang O(147) at 134.78 156.249 86.097 in (null):M-9999 (18) and CB(151) at 134.352 154.544 84.8174 in (null):D-9999 (19) self-bump: 1.2639 Ang CA(142) at 134.12 158.555 85.868 in (null):M-9999 (18) and CB(143) at 134.53 159.291 84.9261 in (null):M-9999 (18) self-bump: 1.35603 Ang CA(9) at 133.454 142.747 78.983 in (null):F-9999 (2) and CB(10) at 133.212 142.143 77.7933 in (null):F-9999 (2) neighbor-bump: 2.42743 Ang CB(4) at 131.647 145.155 81.2288 in (null):S-9999 (1) and N(8) at 132.492 143.284 79.934 in (null):F-9999 (2) Number of specific fragments= 3 total=53 Number of alignments=20 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/1bpoA-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/1bpoA-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AENNNLKL 1bpoA 1 :MAQILPIR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.19915 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.64521 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.98988 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:3.04873 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.80055 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:1.90996 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:2.00257 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.86548 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) T0136 9 :ASTM 1bpoA 31 :TMES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 16 :VEQL 1bpoA 50 :VVII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 20 :AEQRQVIEA 1bpoA 135 :ESQPVKMFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 29 :GG 1bpoA 150 :GC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 31 :G 1bpoA 153 :I Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 32 :ERRVEKQHSQGKQTARE 1bpoA 155 :NYRTDAKQKWLLLTGIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0136 49 :RLNNL 1bpoA 182 :QLYSV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.39782 Ang CA(38) at 42.522 112.595 34.418 in (null):L-9999 (5) and CB(39) at 42.464 111.282 33.9434 in (null):L-9999 (5) T0136 54 :LDPH 1bpoA 201 :FAQF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 58 :S 1bpoA 222 :G Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues neighbor-bump: 1.87912 Ang O(6) at 51.743 132.104 17.661 in (null):S-9999 (1) and N(8) at 50.619 133.546 17.227 in (null):G-9999 (2) neighbor-bump: 1.15575 Ang C(7) at 50.792 132.445 16.921 in (null):S-9999 (1) and N(8) at 50.619 133.546 17.227 in (null):G-9999 (2) T0136 60 :DEVGAFR 1bpoA 226 :GKLHIIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0136 67 :KHRTTLFGMD 1bpoA 269 :KHDVVFLITK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 12 total=65 Number of alignments=21 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/1bpoA-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/1bpoA-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AENNNLKLAS 1bpoA 1 :MAQILPIRFQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64521 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:3.19915 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.80055 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:3.04873 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.98988 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:1.86548 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:2.00257 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.90996 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) T0136 13 :EGRVE 1bpoA 23 :ANIGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 18 :QLAEQRQV 1bpoA 49 :QVVIIDMN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.97699 Ang CD(46) at 44.5499 92.71 6.15774 in (null):R-9999 (6) and CG1(65) at 47.5189 92.6854 5.94026 in (null):V-9999 (8) T0136 28 :AGGGERRVEKQHSQ 1bpoA 57 :DPSNPIRRPISADS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.14818 Ang ND1(89) at 30.4866 104.139 8.87201 in (null):H-9999 (12) and CA(110) at 33.476 104.588 9.751 in (null):G-9999 (15) other bump:2.57751 Ang CE1(90) at 31.5693 103.916 8.15234 in (null):H-9999 (12) and CA(110) at 33.476 104.588 9.751 in (null):G-9999 (15) other bump:2.77907 Ang CE1(90) at 31.5693 103.916 8.15234 in (null):H-9999 (12) and N(109) at 32.959 105.932 9.466 in (null):G-9999 (15) other bump:2.63478 Ang ND1(89) at 30.4866 104.139 8.87201 in (null):H-9999 (12) and C(108) at 31.714 106.278 9.799 in (null):Q-9999 (14) other bump:2.88336 Ang CE1(90) at 31.5693 103.916 8.15234 in (null):H-9999 (12) and C(108) at 31.714 106.278 9.799 in (null):Q-9999 (14) other bump:2.02797 Ang ND1(89) at 30.4866 104.139 8.87201 in (null):H-9999 (12) and O(107) at 30.924 105.496 10.314 in (null):Q-9999 (14) self-bump: 1.23007 Ang CA(58) at 27.441 98.272 1.418 in (null):E-9999 (9) and CB(59) at 26.835 98.9978 0.631149 in (null):E-9999 (9) T0136 43 :KQTAR 1bpoA 136 :SQPVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 48 :ERLNNLLDPHSFDEVGAFRKHRTTLFGMDKA 1bpoA 142 :FDRHSSLAGCQIINYRTDAKQKWLLLTGISA Fragment has 58 clashes (null) has 58 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.14164 Ang N(77) at 34.566 125.15 17.426 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:1.59369 Ang CA(78) at 35.809 124.804 16.756 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:0.664477 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:2.77981 Ang C(86) at 35.566 123.576 15.921 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:1.28128 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:2.5817 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:1.98814 Ang ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:3.22029 Ang CA(78) at 35.809 124.804 16.756 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.99095 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.59844 Ang CA(55) at 37.035 125.158 21.962 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.62788 Ang O(60) at 35.068 124.223 20.952 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.00716 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.60619 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.54163 Ang ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.18054 Ang CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.20843 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.79446 Ang CB(56) at 37.388 123.712 22.3 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:3.11655 Ang CG(57) at 38.812 123.205 22.079 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.49181 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and CG(229) at 38.9063 123.716 18.8578 in (null):M-9999 (28) other bump:2.12852 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and CG(229) at 38.9063 123.716 18.8578 in (null):M-9999 (28) other bump:1.8156 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and CG(229) at 38.9063 123.716 18.8578 in (null):M-9999 (28) other bump:2.84674 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and CB(228) at 38.7674 122.553 17.8842 in (null):M-9999 (28) other bump:2.51591 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and CB(228) at 38.7674 122.553 17.8842 in (null):M-9999 (28) other bump:1.82591 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and CB(228) at 38.7674 122.553 17.8842 in (null):M-9999 (28) other bump:2.40638 Ang CG(96) at 35.8143 119.08 17.9812 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:1.09339 Ang CD1(97) at 36.4895 119.344 19.166 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:1.57066 Ang CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:2.90785 Ang CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:2.16981 Ang CD1(97) at 36.4895 119.344 19.166 in (null):F-9999 (12) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:1.77027 Ang CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:3.09623 Ang CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:2.42775 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:2.4321 Ang CD2(59) at 38.814 121.673 22.047 in (null):L-9999 (7) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:2.15296 Ang CD1(97) at 36.4895 119.344 19.166 in (null):F-9999 (12) and CE1(217) at 37.6534 117.746 20.0188 in (null):F-9999 (26) other bump:2.89968 Ang CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) and CE1(217) at 37.6534 117.746 20.0188 in (null):F-9999 (26) other bump:2.10084 Ang CD2(59) at 38.814 121.673 22.047 in (null):L-9999 (7) and CD2(216) at 38.4147 119.612 21.9762 in (null):F-9999 (26) other bump:3.17722 Ang CE2(144) at 52.2963 108.262 29.8756 in (null):F-9999 (18) and CD(163) at 51.724 105.918 31.943 in (null):K-9999 (20) other bump:2.87409 Ang CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) and CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) other bump:2.87334 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) other bump:2.97188 Ang CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) and CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) other bump:2.35858 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) other bump:2.60064 Ang CB(56) at 37.388 123.712 22.3 in (null):L-9999 (7) and NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) other bump:2.69831 Ang CD2(59) at 38.814 121.673 22.047 in (null):L-9999 (7) and NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) other bump:2.83207 Ang CA(55) at 37.035 125.158 21.962 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:1.51196 Ang O(60) at 35.068 124.223 20.952 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:2.41677 Ang C(61) at 35.58 125.192 21.528 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:2.40546 Ang CB(56) at 37.388 123.712 22.3 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:2.82381 Ang CA(55) at 37.035 125.158 21.962 in (null):L-9999 (7) and ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) other bump:1.43841 Ang O(60) at 35.068 124.223 20.952 in (null):L-9999 (7) and ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) other bump:2.18717 Ang C(61) at 35.58 125.192 21.528 in (null):L-9999 (7) and ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) self-bump: 2.19278 Ang CA(71) at 32.485 126.355 17.769 in (null):P-9999 (9) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.53973 Ang CG(65) at 31.4489 127.858 21.958 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.14865 Ang OD1(66) at 30.8363 127.171 21.1102 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 1.84165 Ang O(68) at 34.11 127.806 19.552 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 1.43164 Ang C(69) at 33.435 126.828 19.964 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.75109 Ang CB(64) at 32.9288 127.593 22.2488 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.2409 Ang OD1(66) at 30.8363 127.171 21.1102 in (null):D-9999 (8) and CG(73) at 30.9412 127.52 18.8991 in (null):P-9999 (9) neighbor-bump: 2.7986 Ang C(69) at 33.435 126.828 19.964 in (null):D-9999 (8) and CG(73) at 30.9412 127.52 18.8991 in (null):P-9999 (9) T0136 79 :VV 1bpoA 298 :IS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 7 total=72 Number of alignments=22 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 3 :NNNLKLASTMEGRVEQLAEQRQVIE 1ivhA 288 :GHFQLMQGKMADMYTRLMACRQYVY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.81088 Ang CG(160) at 18.896 61.462 -4.168 in (null):R-9999 (21) and OE2(198) at 18.6857 61.7512 -1.37996 in (null):E-9999 (25) other bump:2.86071 Ang CG(5) at 12.2608 70.6003 -22.3704 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.209 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.59243 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and SD(73) at 12.621 68.061 -20.152 in (null):M-9999 (10) other bump:1.96332 Ang O(0) at 12.694 69.531 -27.492 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) other bump:2.61026 Ang C(1) at 12.894 70.71 -27.21 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=74 Number of alignments=23 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1ivhA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ivhA/T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 4 :NNLKLASTMEGRVEQLAEQRQVIE 1ivhA 289 :HFQLMQGKMADMYTRLMACRQYVY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.81088 Ang CG(152) at 18.896 61.462 -4.168 in (null):R-9999 (20) and OE2(190) at 18.6857 61.7512 -1.37996 in (null):E-9999 (24) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=76 Number of alignments=24 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 15 :RVEQLAEQRQ 1fuoA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.47051 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:2.56309 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:1.89294 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:2.46669 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:3.16523 Ang CG(241) at 139.507 131.608 77.5249 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) neighbor-bump: 2.55713 Ang O(91) at 128.628 158.539 69.488 in (null):Q-9999 (12) and CD2(97) at 126.819 156.899 70.2477 in (null):H-9999 (13) other bump:1.92099 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:0.821144 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:2.83133 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) other bump:1.84608 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) Number of specific fragments= 2 total=78 Number of alignments=25 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDP 1fuoA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.55713 Ang O(135) at 128.628 158.539 69.488 in (null):Q-9999 (17) and CD2(141) at 126.819 156.899 70.2477 in (null):H-9999 (18) other bump:1.92099 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:0.821144 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:2.83133 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) other bump:1.84608 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) Number of specific fragments= 1 total=79 Number of alignments=26 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-local-adpstyle1.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDP 1fuoA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.55713 Ang O(91) at 128.628 158.539 69.488 in (null):Q-9999 (12) and CD2(97) at 126.819 156.899 70.2477 in (null):H-9999 (13) other bump:1.92099 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:0.821144 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:2.83133 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) other bump:1.84608 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) Number of specific fragments= 1 total=80 Number of alignments=27 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-local-adpstyle5.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 25 :VIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 373 :VRLLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.47051 Ang ND1(258) at 139.823 130.33 77.1357 in (null):H-9999 (33) and CA(270) at 140.726 128.417 75.86 in (null):G-9999 (35) other bump:2.56309 Ang CE1(259) at 138.705 129.758 76.689 in (null):H-9999 (33) and CA(270) at 140.726 128.417 75.86 in (null):G-9999 (35) other bump:1.89294 Ang ND1(258) at 139.823 130.33 77.1357 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) other bump:2.46669 Ang CE1(259) at 138.705 129.758 76.689 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) other bump:3.16523 Ang CG(256) at 139.507 131.608 77.5249 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) neighbor-bump: 2.55713 Ang O(106) at 128.628 158.539 69.488 in (null):Q-9999 (14) and CD2(112) at 126.819 156.899 70.2477 in (null):H-9999 (15) other bump:1.92099 Ang C(30) at 117.723 154.556 59.301 in (null):A-9999 (4) and OE1(48) at 119.604 154.171 59.372 in (null):E-9999 (8) other bump:0.821144 Ang O(29) at 118.894 154.445 59.681 in (null):A-9999 (4) and OE1(48) at 119.604 154.171 59.372 in (null):E-9999 (8) other bump:2.83133 Ang C(30) at 117.723 154.556 59.301 in (null):A-9999 (4) and CD(47) at 120.1 153.05 59.6087 in (null):E-9999 (8) other bump:1.84608 Ang O(29) at 118.894 154.445 59.681 in (null):A-9999 (4) and CD(47) at 120.1 153.05 59.6087 in (null):E-9999 (8) T0136 64 :AFRKHRTT 1fuoA 407 :MLVTALNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=82 Number of alignments=28 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 431 :ESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.57718 Ang OE2(83) at 85.3878 79.6887 34.5664 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.91585 Ang CD(81) at 86.4898 79.4202 35.0947 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.65689 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CD2(287) at 89.052 79.899 32.741 in (null):L-9999 (36) other bump:2.68421 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CB(284) at 88.297 77.525 32.346 in (null):L-9999 (36) other bump:2.41231 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.87161 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.46022 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.18383 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.619 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.38375 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.5706 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.86396 Ang CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.43866 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.55944 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:0.344623 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.99912 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.83376 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:1.77199 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.23086 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.66136 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.3808 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:3.14882 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and C(221) at 79.033 82.239 27.155 in (null):T-9999 (28) other bump:2.51727 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE2(212) at 80.4874 86.4798 32.6953 in (null):Q-9999 (27) other bump:1.63339 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:0.435765 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.75718 Ang CA(12) at 83.142 85.744 29.893 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.34496 Ang CB(13) at 82.0406 84.7951 29.378 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.79507 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:1.35441 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:2.2115 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CG(209) at 79.1927 84.4366 32.7415 in (null):Q-9999 (27) other bump:2.90526 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:2.50706 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:3.02431 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CD(201) at 74.844 88.045 35.598 in (null):K-9999 (26) other bump:3.13326 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CG(200) at 74.598 87.326 34.321 in (null):K-9999 (26) other bump:2.94432 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and NE(128) at 82.732 87.9522 40.2662 in (null):R-9999 (17) other bump:2.64218 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and CD(127) at 82.9511 86.6456 40.8791 in (null):R-9999 (17) other bump:2.7612 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) other bump:2.86498 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) other bump:2.1717 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.58518 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.91556 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) Number of specific fragments= 1 total=83 Number of alignments=29 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1bpoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1bpoA/T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 17 :EQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 430 :YESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.57718 Ang OE2(92) at 85.3878 79.6887 34.5664 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.91585 Ang CD(90) at 86.4898 79.4202 35.0947 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.65689 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CD2(296) at 89.052 79.899 32.741 in (null):L-9999 (37) other bump:2.68421 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CB(293) at 88.297 77.525 32.346 in (null):L-9999 (37) other bump:2.41232 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.87162 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.46022 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.18383 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.619 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.38375 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.5706 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.86396 Ang CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.43866 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.55944 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:0.344623 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.99912 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.83376 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:1.77199 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.23086 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.66136 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.3808 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:1.65086 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:1.35182 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:2.19186 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:0.404315 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.23981 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:2.35586 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.61781 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:1.47205 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.15122 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.87991 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.76345 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NE(241) at 84.8748 82.4613 24.3943 in (null):R-9999 (31) other bump:3.14883 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and C(230) at 79.033 82.239 27.155 in (null):T-9999 (29) other bump:2.51724 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE2(221) at 80.4874 86.4798 32.6953 in (null):Q-9999 (28) other bump:1.63337 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:0.435744 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.75718 Ang CA(21) at 83.142 85.744 29.893 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.34495 Ang CB(22) at 82.0406 84.7951 29.378 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.79505 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:1.35439 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:2.2115 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CG(218) at 79.1927 84.4366 32.7415 in (null):Q-9999 (28) other bump:2.90524 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:2.50708 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:3.02431 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CD(210) at 74.844 88.045 35.598 in (null):K-9999 (27) other bump:3.13326 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CG(209) at 74.598 87.326 34.321 in (null):K-9999 (27) other bump:2.94432 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and NE(137) at 82.732 87.9522 40.2662 in (null):R-9999 (18) other bump:2.64218 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and CD(136) at 82.9511 86.6456 40.8791 in (null):R-9999 (18) other bump:2.76121 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) other bump:2.86499 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) other bump:2.1717 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.58519 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.91557 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) Number of specific fragments= 1 total=84 Number of alignments=30 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-local-adpstyle1.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDP 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) Number of specific fragments= 1 total=85 Number of alignments=31 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-local-adpstyle5.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-local-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 25 :VIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1furA 373 :VRLLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.4934 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.50501 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.3582 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:3.15549 Ang CG(256) at 139.895 131.485 77.228 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:1.85409 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) neighbor-bump: 2.77026 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(263) at 141.263 129.689 79.366 in (null):S-9999 (34) other bump:1.92454 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:0.796205 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:2.85112 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) other bump:1.83592 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) T0136 64 :AFRKHRTT 1furA 407 :MLVTALNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=87 Number of alignments=32 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1furA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:0.796205 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.92454 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.83592 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.85112 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.82604 Ang CG(14) at 107.952 155.593 61.6794 in (null):R-9999 (2) and OE2(52) at 109.828 153.71 62.6403 in (null):E-9999 (6) Number of specific fragments= 1 total=88 Number of alignments=33 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 15 :RVEQLAEQRQ 1furA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLD 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) T0136 61 :EVGAFRKHRTTLFG 1furA 404 :ESLMLVTALNTHIG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.74458 Ang CA(19) at 141.848 128.357 79.259 in (null):G-9999 (3) and NH2(46) at 141.658 126.227 80.9796 in (null):R-9999 (6) Number of specific fragments= 3 total=91 Number of alignments=34 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5lC/T0136-1a5lC-local-adpstyle5.pw.a2m.gz # 1a5lC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5lC/T0136-1a5lC-local-adpstyle5.pw.a2m.gz # adding 1a5lC to template set 1a5lC:# found chain 1a5lC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1a5lC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.03516 Ang CG(171) at 58.3864 78.9038 110.075 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:2.35209 Ang CD(172) at 58.568 79.2972 111.517 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:2.18738 Ang OE1(173) at 58.4841 78.4074 112.39 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:3.03847 Ang C(181) at 60.9 76.03 108.088 in (null):A-9999 (23) and CD(198) at 60.1901 76.437 111.014 in (null):E-9999 (27) other bump:2.34604 Ang N(182) at 61.311 74.817 108.446 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.38951 Ang O(184) at 61.227 72.863 110.295 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.71341 Ang C(181) at 60.9 76.03 108.088 in (null):A-9999 (23) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.61659 Ang CA(183) at 62.478 74.638 109.272 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.59798 Ang C(185) at 62.29 73.491 110.238 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.75467 Ang OE1(98) at 47.8423 87.3663 107.382 in (null):Q-9999 (13) and CB(112) at 47.716 84.619 107.225 in (null):A-9999 (15) other bump:2.95884 Ang CD(88) at 43.7712 90.9724 101.03 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) other bump:2.38148 Ang OE1(89) at 44.5859 90.5865 100.165 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) self-bump: 2.12671 Ang CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) and C(18) at 65.649 102.342 102.537 in (null):K-9999 (2) self-bump: 1.22781 Ang CA(11) at 65.395 101.137 101.625 in (null):K-9999 (2) and CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1a5lC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 1.77957 Ang C(184) at 55.713 83.306 103.017 in (null):D-9999 (22) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) self-bump: 2.20455 Ang CA(186) at 54.489 85.09 104.183 in (null):P-9999 (23) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) neighbor-bump: 2.41558 Ang O(183) at 56.767 83.93 103.016 in (null):D-9999 (22) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) other bump:2.57794 Ang C(12) at 54.848 72.977 108.99 in (null):R-9999 (1) and OG(60) at 52.3826 73.5899 108.552 in (null):S-9999 (7) other bump:2.45533 Ang CB(4) at 53.766 74.909 110.093 in (null):R-9999 (1) and OG(60) at 52.3826 73.5899 108.552 in (null):S-9999 (7) other bump:2.21696 Ang O(11) at 54.079 72.02 108.899 in (null):R-9999 (1) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:2.65018 Ang C(12) at 54.848 72.977 108.99 in (null):R-9999 (1) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:3.02974 Ang N(13) at 55.693 73.309 108.018 in (null):V-9999 (2) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:3.04631 Ang CA(14) at 55.73 72.54 106.774 in (null):V-9999 (2) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) self-bump: 1.29742 Ang CA(48) at 51.076 68.923 109.235 in (null):H-9999 (6) and CB(49) at 51.5157 69.5113 110.305 in (null):H-9999 (6) neighbor-bump: 2.31449 Ang O(36) at 53.448 65.16 108.773 in (null):K-9999 (4) and CB(40) at 51.3226 64.2501 108.881 in (null):Q-9999 (5) neighbor-bump: 2.62729 Ang C(37) at 53.275 65.44 107.587 in (null):K-9999 (4) and CB(40) at 51.3226 64.2501 108.881 in (null):Q-9999 (5) Number of specific fragments= 2 total=93 Number of alignments=35 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5lC/T0136-1a5lC-local-adpstyle1.pw.a2m.gz # 1a5lC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5lC/T0136-1a5lC-local-adpstyle1.pw.a2m.gz # found chain 1a5lC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1a5lC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.75467 Ang OE1(98) at 47.8423 87.3663 107.382 in (null):Q-9999 (13) and CB(112) at 47.716 84.619 107.225 in (null):A-9999 (15) other bump:2.95884 Ang CD(88) at 43.7712 90.9724 101.03 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) other bump:2.38148 Ang OE1(89) at 44.5859 90.5865 100.165 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) self-bump: 2.12671 Ang CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) and C(18) at 65.649 102.342 102.537 in (null):K-9999 (2) self-bump: 1.22781 Ang CA(11) at 65.395 101.137 101.625 in (null):K-9999 (2) and CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1a5lC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.54862 Ang NE(18) at 50.5345 75.341 108.435 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.57794 Ang C(23) at 54.848 72.977 108.99 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.63533 Ang CB(15) at 54.0327 75.1645 109.872 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:1.94398 Ang CG(16) at 52.521 75.039 109.84 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.29527 Ang CD(17) at 51.8981 75.8287 108.697 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.21696 Ang O(22) at 54.079 72.02 108.899 in (null):R-9999 (2) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:2.65018 Ang C(23) at 54.848 72.977 108.99 in (null):R-9999 (2) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:3.02974 Ang N(24) at 55.693 73.309 108.018 in (null):V-9999 (3) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:3.04631 Ang CA(25) at 55.73 72.54 106.774 in (null):V-9999 (3) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) self-bump: 1.29742 Ang CA(59) at 51.076 68.923 109.235 in (null):H-9999 (7) and CB(60) at 51.5157 69.5113 110.305 in (null):H-9999 (7) neighbor-bump: 2.31449 Ang O(47) at 53.448 65.16 108.773 in (null):K-9999 (5) and CB(51) at 51.3226 64.2501 108.881 in (null):Q-9999 (6) neighbor-bump: 2.62729 Ang C(48) at 53.275 65.44 107.587 in (null):K-9999 (5) and CB(51) at 51.3226 64.2501 108.881 in (null):Q-9999 (6) Number of specific fragments= 2 total=95 Number of alignments=36 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ejsC/T0136-1ejsC-local-adpstyle5.pw.a2m.gz # 1ejsC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ejsC/T0136-1ejsC-local-adpstyle5.pw.a2m.gz # adding 1ejsC to template set 1ejsC:Bad short name: CX for alphabet: pdb_atoms Bad short name: OX1 for alphabet: pdb_atoms Bad short name: OX2 for alphabet: pdb_atoms # found chain 1ejsC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1ejsC 1023 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.28349 Ang CG(171) at 58.6014 79.0547 110.021 in (null):E-9999 (22) and OE1(199) at 59.4741 77.0387 110.645 in (null):E-9999 (27) other bump:2.67216 Ang CD(172) at 58.8388 79.5106 111.436 in (null):E-9999 (22) and OE1(199) at 59.4741 77.0387 110.645 in (null):E-9999 (27) other bump:2.9973 Ang N(182) at 61.381 74.853 108.472 in (null):G-9999 (24) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:2.98995 Ang C(181) at 61.003 76.041 108.005 in (null):A-9999 (23) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:3.17581 Ang CA(183) at 62.599 74.702 109.247 in (null):G-9999 (24) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:2.25373 Ang N(182) at 61.381 74.853 108.472 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.28726 Ang O(184) at 61.417 72.828 110.16 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.8297 Ang C(181) at 61.003 76.041 108.005 in (null):A-9999 (23) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.56594 Ang CA(183) at 62.599 74.702 109.247 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.48267 Ang C(185) at 62.445 73.526 110.187 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.78698 Ang OE1(98) at 47.7656 87.3727 107.41 in (null):Q-9999 (13) and CB(112) at 47.743 84.59 107.257 in (null):A-9999 (15) other bump:2.59575 Ang CD(88) at 43.7332 91.0949 101.08 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) other bump:2.37883 Ang OE1(89) at 44.5379 90.6871 100.216 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) self-bump: 2.13396 Ang CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) and C(18) at 65.635 102.391 102.397 in (null):K-9999 (2) self-bump: 1.23395 Ang CA(11) at 65.305 101.188 101.504 in (null):K-9999 (2) and CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1ejsC 1050 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.85472 Ang CB(179) at 55.3684 80.7655 103.198 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) self-bump: 2.20386 Ang CA(186) at 54.595 85.171 104.195 in (null):P-9999 (23) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) neighbor-bump: 2.39829 Ang O(183) at 56.857 83.962 103.029 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) neighbor-bump: 1.75473 Ang C(184) at 55.778 83.366 103.036 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) other bump:2.66823 Ang CG(88) at 48.7419 67.56 97.5469 in (null):Q-9999 (11) and CD(130) at 51.1578 68.6884 97.6432 in (null):R-9999 (16) other bump:3.0787 Ang CD(89) at 48.089 68.8839 97.7933 in (null):Q-9999 (11) and CD(130) at 51.1578 68.6884 97.6432 in (null):R-9999 (16) other bump:2.32058 Ang CG(88) at 48.7419 67.56 97.5469 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.31177 Ang CD(89) at 48.089 68.8839 97.7933 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.72816 Ang NE2(91) at 47.3866 69.3853 96.7896 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.60668 Ang NE2(91) at 47.3866 69.3853 96.7896 in (null):Q-9999 (11) and C(125) at 47.77 69.572 94.218 in (null):E-9999 (15) other bump:2.55976 Ang C(12) at 54.956 72.991 109.084 in (null):R-9999 (1) and OG(60) at 52.5005 73.6018 108.697 in (null):S-9999 (7) other bump:2.43701 Ang CB(4) at 53.9086 74.9165 110.19 in (null):R-9999 (1) and OG(60) at 52.5005 73.6018 108.697 in (null):S-9999 (7) other bump:2.27921 Ang O(11) at 54.228 72.003 109.048 in (null):R-9999 (1) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.63965 Ang C(12) at 54.956 72.991 109.084 in (null):R-9999 (1) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.97882 Ang N(13) at 55.75 73.327 108.071 in (null):V-9999 (2) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.98847 Ang CA(14) at 55.745 72.543 106.835 in (null):V-9999 (2) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) self-bump: 1.29779 Ang CA(48) at 51.11 69.014 109.422 in (null):H-9999 (6) and CB(49) at 51.5905 69.6129 110.468 in (null):H-9999 (6) Number of specific fragments= 2 total=97 Number of alignments=37 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ejsC/T0136-1ejsC-local-adpstyle1.pw.a2m.gz # 1ejsC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1ejsC/T0136-1ejsC-local-adpstyle1.pw.a2m.gz # found chain 1ejsC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1ejsC 1023 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78698 Ang OE1(98) at 47.7656 87.3727 107.41 in (null):Q-9999 (13) and CB(112) at 47.743 84.59 107.257 in (null):A-9999 (15) other bump:2.59575 Ang CD(88) at 43.7332 91.0949 101.08 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) other bump:2.37883 Ang OE1(89) at 44.5379 90.6871 100.216 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) self-bump: 2.13396 Ang CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) and C(18) at 65.635 102.391 102.397 in (null):K-9999 (2) self-bump: 1.23395 Ang CA(11) at 65.305 101.188 101.504 in (null):K-9999 (2) and CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1ejsC 1049 :KVIRDGMGQGQMLAADCVDLVL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.66823 Ang CG(99) at 48.7419 67.56 97.5469 in (null):Q-9999 (12) and CD(141) at 51.1578 68.6884 97.6432 in (null):R-9999 (17) other bump:3.0787 Ang CD(100) at 48.089 68.8839 97.7933 in (null):Q-9999 (12) and CD(141) at 51.1578 68.6884 97.6432 in (null):R-9999 (17) other bump:2.72816 Ang NE2(102) at 47.3866 69.3853 96.7896 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.32058 Ang CG(99) at 48.7419 67.56 97.5469 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.31177 Ang CD(100) at 48.089 68.8839 97.7933 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.60668 Ang NE2(102) at 47.3866 69.3853 96.7896 in (null):Q-9999 (12) and C(136) at 47.77 69.572 94.218 in (null):E-9999 (16) other bump:2.53285 Ang NE(18) at 50.6436 75.3214 108.595 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.61617 Ang CB(15) at 54.1671 75.1656 109.971 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:1.92238 Ang CG(16) at 52.6552 75.0369 109.967 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.2697 Ang CD(17) at 52.0106 75.8142 108.827 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.55976 Ang C(23) at 54.956 72.991 109.084 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.27921 Ang O(22) at 54.228 72.003 109.048 in (null):R-9999 (2) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.63965 Ang C(23) at 54.956 72.991 109.084 in (null):R-9999 (2) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.97882 Ang N(24) at 55.75 73.327 108.071 in (null):V-9999 (3) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.98847 Ang CA(25) at 55.745 72.543 106.835 in (null):V-9999 (3) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) self-bump: 1.29779 Ang CA(59) at 51.11 69.014 109.422 in (null):H-9999 (7) and CB(60) at 51.5905 69.6129 110.468 in (null):H-9999 (7) Number of specific fragments= 2 total=99 Number of alignments=38 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5oC/T0136-1a5oC-local-adpstyle1.pw.a2m.gz # 1a5oC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5oC/T0136-1a5oC-local-adpstyle1.pw.a2m.gz # adding 1a5oC to template set 1a5oC:# found chain 1a5oC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1a5oC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.7392 Ang OE1(98) at 47.5044 87.3125 107.422 in (null):Q-9999 (13) and CB(112) at 47.734 84.59 107.225 in (null):A-9999 (15) other bump:2.6939 Ang CD(88) at 43.7556 91.0698 101.098 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) other bump:2.23941 Ang OE1(89) at 44.5778 90.6701 100.247 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) self-bump: 2.14173 Ang CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) and C(18) at 65.704 102.379 102.555 in (null):K-9999 (2) self-bump: 1.22873 Ang CA(11) at 65.441 101.192 101.629 in (null):K-9999 (2) and CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1a5oC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.69192 Ang OE1(101) at 45.1562 66.271 96.4688 in (null):Q-9999 (12) and CD(132) at 44.3137 66.0035 93.9262 in (null):E-9999 (16) other bump:2.28475 Ang CD(17) at 51.7692 75.745 108.556 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.51144 Ang NE(18) at 50.4167 75.2272 108.294 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:1.82902 Ang CG(16) at 52.4021 74.9824 109.712 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.62477 Ang C(23) at 54.766 72.959 108.888 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.6012 Ang CB(15) at 53.9109 75.138 109.749 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.12401 Ang O(22) at 54.023 71.975 108.82 in (null):R-9999 (2) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:2.5688 Ang C(23) at 54.766 72.959 108.888 in (null):R-9999 (2) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:3.04427 Ang N(24) at 55.608 73.286 107.912 in (null):V-9999 (3) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:3.15023 Ang CA(25) at 55.661 72.516 106.665 in (null):V-9999 (3) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) self-bump: 1.28705 Ang CA(59) at 50.888 68.903 109.35 in (null):H-9999 (7) and CB(60) at 51.2764 69.5284 110.406 in (null):H-9999 (7) neighbor-bump: 2.3016 Ang O(47) at 53.326 65.25 108.833 in (null):K-9999 (5) and CB(51) at 51.2571 64.258 109.014 in (null):Q-9999 (6) neighbor-bump: 2.62731 Ang C(48) at 53.115 65.509 107.641 in (null):K-9999 (5) and CB(51) at 51.2571 64.258 109.014 in (null):Q-9999 (6) Number of specific fragments= 2 total=101 Number of alignments=39 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5oC/T0136-1a5oC-local-adpstyle5.pw.a2m.gz # 1a5oC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1a5oC/T0136-1a5oC-local-adpstyle5.pw.a2m.gz # found chain 1a5oC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1a5oC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.75306 Ang CB(170) at 56.9819 78.668 109.763 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:1.92902 Ang CG(171) at 58.4544 78.8994 110.05 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:2.28819 Ang CD(172) at 58.7071 79.3157 111.475 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:2.13305 Ang OE1(173) at 58.6586 78.4414 112.366 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:3.05567 Ang C(181) at 60.768 75.975 108.079 in (null):A-9999 (23) and CD(198) at 60.0668 76.4687 111.012 in (null):E-9999 (27) other bump:3.28426 Ang CA(183) at 62.209 74.558 109.416 in (null):G-9999 (24) and CD(198) at 60.0668 76.4687 111.012 in (null):E-9999 (27) other bump:2.27288 Ang N(182) at 61.085 74.759 108.523 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.52361 Ang O(184) at 61.018 72.692 110.348 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.72929 Ang C(181) at 60.768 75.975 108.079 in (null):A-9999 (23) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.45414 Ang CA(183) at 62.209 74.558 109.416 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.56086 Ang C(185) at 62.038 73.386 110.359 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:3.12694 Ang N(182) at 61.085 74.759 108.523 in (null):G-9999 (24) and CB(196) at 58.6922 74.4055 110.505 in (null):E-9999 (27) other bump:2.7392 Ang OE1(98) at 47.5044 87.3125 107.422 in (null):Q-9999 (13) and CB(112) at 47.734 84.59 107.225 in (null):A-9999 (15) other bump:2.6939 Ang CD(88) at 43.7556 91.0698 101.098 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) other bump:2.23941 Ang OE1(89) at 44.5778 90.6701 100.247 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) self-bump: 2.14173 Ang CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) and C(18) at 65.704 102.379 102.555 in (null):K-9999 (2) self-bump: 1.22873 Ang CA(11) at 65.441 101.192 101.629 in (null):K-9999 (2) and CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1a5oC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.84218 Ang CB(179) at 55.4158 80.6346 103.253 in (null):D-9999 (22) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) neighbor-bump: 1.92807 Ang C(184) at 55.632 83.232 102.975 in (null):D-9999 (22) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) self-bump: 2.22462 Ang CA(186) at 54.448 85.014 104.216 in (null):P-9999 (23) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) other bump:2.69192 Ang OE1(90) at 45.1562 66.271 96.4688 in (null):Q-9999 (11) and CD(121) at 44.3137 66.0035 93.9262 in (null):E-9999 (15) other bump:2.62477 Ang C(12) at 54.766 72.959 108.888 in (null):R-9999 (1) and OG(60) at 52.2096 73.5051 108.651 in (null):S-9999 (7) other bump:2.38858 Ang CB(4) at 53.6456 74.8767 109.978 in (null):R-9999 (1) and OG(60) at 52.2096 73.5051 108.651 in (null):S-9999 (7) other bump:2.12401 Ang O(11) at 54.023 71.975 108.82 in (null):R-9999 (1) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:2.5688 Ang C(12) at 54.766 72.959 108.888 in (null):R-9999 (1) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:3.04427 Ang N(13) at 55.608 73.286 107.912 in (null):V-9999 (2) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:3.15023 Ang CA(14) at 55.661 72.516 106.665 in (null):V-9999 (2) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) self-bump: 1.28705 Ang CA(48) at 50.888 68.903 109.35 in (null):H-9999 (6) and CB(49) at 51.2764 69.5284 110.406 in (null):H-9999 (6) neighbor-bump: 2.3016 Ang O(36) at 53.326 65.25 108.833 in (null):K-9999 (4) and CB(40) at 51.2571 64.258 109.014 in (null):Q-9999 (5) neighbor-bump: 2.62731 Ang C(37) at 53.115 65.509 107.641 in (null):K-9999 (4) and CB(40) at 51.2571 64.258 109.014 in (null):Q-9999 (5) Number of specific fragments= 2 total=103 Number of alignments=40 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/2pbg/T0136-2pbg-local-adpstyle1.pw.a2m.gz # 2pbg read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/2pbg/T0136-2pbg-local-adpstyle1.pw.a2m.gz # adding 2pbg to template set 2pbg:# found chain 2pbg in template set T0136 36 :EKQHSQGKQTARERLNNLLDPHSFD 2pbg 121 :EALHSNGDFLNRENIEHFIDYAAFC Fragment has 54 clashes (null) has 54 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.56921 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.6521 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:3.28374 Ang CA(144) at 28.631 78.64 10.096 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.9451 Ang C(150) at 29.515 79.72 10.705 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.00473 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:3.14637 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:2.06801 Ang OE1(25) at 24.7359 77.361 4.81201 in (null):Q-9999 (3) and OD1(140) at 25.9847 78.75 3.92443 in (null):N-9999 (17) other bump:2.62465 Ang C(44) at 21.577 69.701 1.258 in (null):S-9999 (5) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.41758 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.88132 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.64014 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.44591 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.75992 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.91139 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.18334 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.2748 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.75873 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.20048 Ang C(57) at 26.201 69.108 3.385 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.76239 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.39453 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.07226 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.55902 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.93791 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.26236 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:3.07848 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.24552 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.66157 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.86525 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.63333 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.82985 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.76172 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.69607 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.77087 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:1.70483 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:3.06196 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.88383 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:3.2463 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:2.50179 Ang O(65) at 27.606 71.579 5.348 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) self-bump: 2.15572 Ang CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) and C(66) at 27.239 70.48 5.769 in (null):K-9999 (8) other bump:2.37015 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.7257 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.47714 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.15267 Ang O(0) at 19.883 73.495 6.982 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.76546 Ang C(1) at 18.997 73.618 7.833 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.56416 Ang CG(32) at 21.203 68.425 7.099 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.69445 Ang CD2(33) at 21.866 68.027 8.212 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.78667 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.35497 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.00064 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.70285 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.30663 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.85871 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.84715 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CG(61) at 24.0983 69.544 7.23514 in (null):K-9999 (8) self-bump: 1.27949 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) Number of specific fragments= 1 total=104 Number of alignments=41 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/2pbg/T0136-2pbg-local-adpstyle5.pw.a2m.gz # 2pbg read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/2pbg/T0136-2pbg-local-adpstyle5.pw.a2m.gz # found chain 2pbg in template set T0136 32 :ERRVEKQHSQGKQTARERLNNLLDPHS 2pbg 117 :FDTPEALHSNGDFLNRENIEHFIDYAA Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:1.56921 Ang O(179) at 27.146 80.697 9.036 in (null):N-9999 (21) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.6521 Ang C(180) at 27.771 79.968 8.264 in (null):N-9999 (21) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:3.28374 Ang CA(182) at 28.631 78.64 10.096 in (null):L-9999 (22) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.9451 Ang C(188) at 29.515 79.72 10.705 in (null):L-9999 (22) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.00473 Ang O(179) at 27.146 80.697 9.036 in (null):N-9999 (21) and CG(208) at 26.0317 80.9981 10.6751 in (null):P-9999 (25) other bump:3.14637 Ang C(180) at 27.771 79.968 8.264 in (null):N-9999 (21) and CG(208) at 26.0317 80.9981 10.6751 in (null):P-9999 (25) other bump:2.06801 Ang OE1(63) at 24.7359 77.361 4.81201 in (null):Q-9999 (7) and OD1(178) at 25.9847 78.75 3.92443 in (null):N-9999 (21) other bump:2.62465 Ang C(82) at 21.577 69.701 1.258 in (null):S-9999 (9) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.41758 Ang N(83) at 22.062 70.937 1.338 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.88132 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.44591 Ang CA(84) at 23.148 71.426 0.492 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.75992 Ang CB(85) at 22.7511 73.0404 0.727132 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.91139 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.64014 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.18334 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.76239 Ang O(90) at 25.505 71.663 1.037 in (null):Q-9999 (10) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.39453 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.2748 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.75873 Ang CA(93) at 25.835 69.065 1.903 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.20048 Ang C(95) at 26.201 69.108 3.385 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.07226 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.55902 Ang N(83) at 22.062 70.937 1.338 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.93791 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.24552 Ang CA(84) at 23.148 71.426 0.492 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.66157 Ang CB(85) at 22.7511 73.0404 0.727132 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.86525 Ang O(90) at 25.505 71.663 1.037 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.63333 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.26236 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:3.07848 Ang CA(93) at 25.835 69.065 1.903 in (null):G-9999 (11) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.82985 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.76172 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.69607 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:2.77087 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:1.70483 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:3.06196 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:2.88383 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:3.2463 Ang CA(97) at 25.786 70.04 5.601 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:2.50179 Ang O(103) at 27.606 71.579 5.348 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:2.38462 Ang NH1(29) at 27.672 72.2151 10.2379 in (null):R-9999 (3) and NE2(111) at 29.1295 72.9975 8.52031 in (null):Q-9999 (13) other bump:2.97213 Ang CZ(28) at 27.5531 70.9978 10.7799 in (null):R-9999 (3) and CD(109) at 29.7572 71.9224 9.01333 in (null):Q-9999 (13) other bump:2.43578 Ang NH1(29) at 27.672 72.2151 10.2379 in (null):R-9999 (3) and CD(109) at 29.7572 71.9224 9.01333 in (null):Q-9999 (13) self-bump: 2.15572 Ang CB(98) at 25.5514 69.5959 6.77782 in (null):K-9999 (12) and C(104) at 27.239 70.48 5.769 in (null):K-9999 (12) other bump:2.37015 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.7257 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.47714 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.61437 Ang C(32) at 20.603 72.773 10.127 in (null):R-9999 (3) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.15267 Ang O(38) at 19.883 73.495 6.982 in (null):V-9999 (4) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.76546 Ang C(39) at 18.997 73.618 7.833 in (null):V-9999 (4) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.56416 Ang CG(70) at 21.203 68.425 7.099 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.69445 Ang CD2(71) at 21.866 68.027 8.212 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.78667 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.35497 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.00064 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.5757 Ang CB(24) at 22.928 71.764 10.1114 in (null):R-9999 (3) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.70285 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.30663 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.85871 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.99148 Ang CB(24) at 22.928 71.764 10.1114 in (null):R-9999 (3) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.84715 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CG(99) at 24.0983 69.544 7.23514 in (null):K-9999 (12) self-bump: 1.27949 Ang CA(97) at 25.786 70.04 5.601 in (null):K-9999 (12) and CB(98) at 25.5514 69.5959 6.77782 in (null):K-9999 (12) T0136 59 :FDEVG 2pbg 146 :FEEFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 2 total=106 Number of alignments=42 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1krbC/T0136-1krbC-local-adpstyle5.pw.a2m.gz # 1krbC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1krbC/T0136-1krbC-local-adpstyle5.pw.a2m.gz # adding 1krbC to template set 1krbC:# found chain 1krbC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1krbC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.23111 Ang CG(171) at 58.6417 79.067 110.019 in (null):E-9999 (22) and OE1(199) at 59.6482 77.1317 110.487 in (null):E-9999 (27) other bump:2.66614 Ang CD(172) at 58.8842 79.5018 111.44 in (null):E-9999 (22) and OE1(199) at 59.6482 77.1317 110.487 in (null):E-9999 (27) other bump:2.84388 Ang N(182) at 61.565 75.041 108.388 in (null):G-9999 (24) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:2.78508 Ang C(181) at 61.104 76.212 107.974 in (null):A-9999 (23) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:3.03841 Ang CA(183) at 62.785 74.93 109.162 in (null):G-9999 (24) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:2.14431 Ang N(182) at 61.565 75.041 108.388 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.21727 Ang O(184) at 61.675 73.032 110.129 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.68709 Ang C(181) at 61.104 76.212 107.974 in (null):A-9999 (23) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.50761 Ang CA(183) at 62.785 74.93 109.162 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.49879 Ang C(185) at 62.706 73.711 110.064 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.77683 Ang OE1(98) at 47.9485 87.4129 107.392 in (null):Q-9999 (13) and CB(112) at 47.854 84.643 107.22 in (null):A-9999 (15) other bump:3.01189 Ang CD(88) at 43.4989 91.2061 101.311 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) other bump:2.44523 Ang OE1(89) at 44.2143 90.7874 100.377 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) self-bump: 2.14181 Ang CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) and C(18) at 65.632 102.434 102.407 in (null):K-9999 (2) self-bump: 1.24042 Ang CA(11) at 65.318 101.255 101.5 in (null):K-9999 (2) and CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1krbC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.84231 Ang CB(179) at 55.3837 80.7016 103.155 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) neighbor-bump: 1.77815 Ang C(184) at 55.764 83.317 103.027 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) self-bump: 2.22627 Ang CA(186) at 54.553 85.089 104.239 in (null):P-9999 (23) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) neighbor-bump: 2.41552 Ang O(183) at 56.835 83.917 103.043 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) other bump:2.91135 Ang OE1(90) at 45.3597 66.5416 96.6206 in (null):Q-9999 (11) and CB(119) at 46.4028 67.5877 94.1119 in (null):E-9999 (15) other bump:2.7466 Ang C(12) at 55.121 73.046 109.158 in (null):R-9999 (1) and OG(60) at 52.441 73.5767 108.876 in (null):S-9999 (7) other bump:2.58735 Ang CB(4) at 54.0883 74.9339 110.338 in (null):R-9999 (1) and OG(60) at 52.441 73.5767 108.876 in (null):S-9999 (7) other bump:2.33874 Ang O(11) at 54.413 72.039 109.135 in (null):R-9999 (1) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:2.71934 Ang C(12) at 55.121 73.046 109.158 in (null):R-9999 (1) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:3.07991 Ang CA(14) at 55.818 72.687 106.862 in (null):V-9999 (2) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:3.05432 Ang N(13) at 55.837 73.447 108.11 in (null):V-9999 (2) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) self-bump: 1.32433 Ang CA(48) at 51.144 69.011 109.46 in (null):H-9999 (6) and CB(49) at 51.7163 69.5415 110.53 in (null):H-9999 (6) Number of specific fragments= 2 total=108 Number of alignments=43 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fwgC/T0136-1fwgC-local-adpstyle1.pw.a2m.gz # 1fwgC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fwgC/T0136-1fwgC-local-adpstyle1.pw.a2m.gz # adding 1fwgC to template set 1fwgC:# found chain 1fwgC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1fwgC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.76507 Ang OE1(98) at 47.8468 87.3855 107.359 in (null):Q-9999 (13) and CB(112) at 47.685 84.63 107.196 in (null):A-9999 (15) other bump:2.60677 Ang CD(88) at 43.5973 91.0698 101.153 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) other bump:2.16153 Ang OE1(89) at 44.3774 90.6516 100.271 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) self-bump: 2.13177 Ang CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) and C(18) at 65.59 102.381 102.393 in (null):K-9999 (2) self-bump: 1.22801 Ang CA(11) at 65.29 101.19 101.479 in (null):K-9999 (2) and CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1fwgC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.73238 Ang CG(99) at 48.6154 67.4846 97.5346 in (null):Q-9999 (12) and CD(141) at 51.0569 68.7028 97.6805 in (null):R-9999 (17) other bump:2.39172 Ang CG(99) at 48.6154 67.4846 97.5346 in (null):Q-9999 (12) and CG(140) at 50.0203 69.2561 96.7546 in (null):R-9999 (17) other bump:2.40258 Ang CD(100) at 47.9113 68.7779 97.8013 in (null):Q-9999 (12) and CG(140) at 50.0203 69.2561 96.7546 in (null):R-9999 (17) other bump:2.49461 Ang NE(18) at 50.5418 75.3096 108.487 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.23941 Ang CD(17) at 51.9073 75.8003 108.733 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.60595 Ang C(23) at 54.855 72.962 109.018 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.62386 Ang CB(15) at 54.0524 75.1474 109.895 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:1.91265 Ang CG(16) at 52.5405 75.021 109.877 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.28634 Ang O(22) at 54.106 71.991 108.96 in (null):R-9999 (2) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:2.67342 Ang C(23) at 54.855 72.962 109.018 in (null):R-9999 (2) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:3.0338 Ang N(24) at 55.678 73.288 108.021 in (null):V-9999 (3) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:3.05366 Ang CA(25) at 55.69 72.507 106.773 in (null):V-9999 (3) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) self-bump: 1.30451 Ang CA(59) at 51.08 68.942 109.317 in (null):H-9999 (7) and CB(60) at 51.5308 69.5494 110.38 in (null):H-9999 (7) Number of specific fragments= 2 total=110 Number of alignments=44 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fwgC/T0136-1fwgC-local-adpstyle5.pw.a2m.gz # 1fwgC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fwgC/T0136-1fwgC-local-adpstyle5.pw.a2m.gz # found chain 1fwgC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1fwgC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.09015 Ang CG(171) at 58.514 79.0402 110.025 in (null):E-9999 (22) and OE1(199) at 59.2086 77.1568 110.608 in (null):E-9999 (27) other bump:2.53496 Ang CD(172) at 58.7527 79.5087 111.436 in (null):E-9999 (22) and OE1(199) at 59.2086 77.1568 110.608 in (null):E-9999 (27) other bump:2.9668 Ang C(181) at 60.86 76.041 107.993 in (null):A-9999 (23) and CD(198) at 60.1796 76.4257 110.855 in (null):E-9999 (27) other bump:3.27746 Ang CA(183) at 62.443 74.685 109.246 in (null):G-9999 (24) and CD(198) at 60.1796 76.4257 110.855 in (null):E-9999 (27) other bump:2.23957 Ang N(182) at 61.264 74.844 108.416 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.44943 Ang O(184) at 61.301 72.817 110.246 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.6861 Ang C(181) at 60.86 76.041 107.993 in (null):A-9999 (23) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.54702 Ang CA(183) at 62.443 74.685 109.246 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.61387 Ang C(185) at 62.326 73.511 110.202 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.76507 Ang OE1(98) at 47.8468 87.3855 107.359 in (null):Q-9999 (13) and CB(112) at 47.685 84.63 107.196 in (null):A-9999 (15) other bump:2.60677 Ang CD(88) at 43.5973 91.0698 101.153 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) other bump:2.16153 Ang OE1(89) at 44.3774 90.6516 100.271 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) self-bump: 2.13177 Ang CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) and C(18) at 65.59 102.381 102.393 in (null):K-9999 (2) self-bump: 1.22801 Ang CA(11) at 65.29 101.19 101.479 in (null):K-9999 (2) and CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1fwgC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.81227 Ang CB(179) at 55.4193 80.7542 103.112 in (null):D-9999 (22) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) self-bump: 2.21706 Ang CA(186) at 54.486 85.105 104.146 in (null):P-9999 (23) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) neighbor-bump: 1.8119 Ang C(184) at 55.703 83.36 102.905 in (null):D-9999 (22) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) other bump:2.73238 Ang CG(88) at 48.6154 67.4846 97.5346 in (null):Q-9999 (11) and CD(130) at 51.0569 68.7028 97.6805 in (null):R-9999 (16) other bump:2.39172 Ang CG(88) at 48.6154 67.4846 97.5346 in (null):Q-9999 (11) and CG(129) at 50.0203 69.2561 96.7546 in (null):R-9999 (16) other bump:2.40258 Ang CD(89) at 47.9113 68.7779 97.8013 in (null):Q-9999 (11) and CG(129) at 50.0203 69.2561 96.7546 in (null):R-9999 (16) other bump:2.60595 Ang C(12) at 54.855 72.962 109.018 in (null):R-9999 (1) and OG(60) at 52.3675 73.6131 108.594 in (null):S-9999 (7) other bump:2.44612 Ang CB(4) at 53.79 74.8966 110.115 in (null):R-9999 (1) and OG(60) at 52.3675 73.6131 108.594 in (null):S-9999 (7) other bump:2.28634 Ang O(11) at 54.106 71.991 108.96 in (null):R-9999 (1) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:2.67342 Ang C(12) at 54.855 72.962 109.018 in (null):R-9999 (1) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:3.0338 Ang N(13) at 55.678 73.288 108.021 in (null):V-9999 (2) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:3.05366 Ang CA(14) at 55.69 72.507 106.773 in (null):V-9999 (2) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) self-bump: 1.30451 Ang CA(48) at 51.08 68.942 109.317 in (null):H-9999 (6) and CB(49) at 51.5308 69.5494 110.38 in (null):H-9999 (6) Number of specific fragments= 2 total=112 Number of alignments=45 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1krbC/T0136-1krbC-local-adpstyle1.pw.a2m.gz # 1krbC read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1krbC/T0136-1krbC-local-adpstyle1.pw.a2m.gz # found chain 1krbC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1krbC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.77683 Ang OE1(98) at 47.9485 87.4129 107.392 in (null):Q-9999 (13) and CB(112) at 47.854 84.643 107.22 in (null):A-9999 (15) other bump:3.01189 Ang CD(88) at 43.4989 91.2061 101.311 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) other bump:2.44523 Ang OE1(89) at 44.2143 90.7874 100.377 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) self-bump: 2.14181 Ang CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) and C(18) at 65.632 102.434 102.407 in (null):K-9999 (2) self-bump: 1.24042 Ang CA(11) at 65.318 101.255 101.5 in (null):K-9999 (2) and CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1krbC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.91135 Ang OE1(101) at 45.3597 66.5416 96.6206 in (null):Q-9999 (12) and CB(130) at 46.4028 67.5877 94.1119 in (null):E-9999 (16) other bump:2.41039 Ang NE(18) at 50.7341 75.2779 108.926 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:1.98976 Ang CG(16) at 52.821 75.024 110.187 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.26111 Ang CD(17) at 52.0992 75.8011 109.095 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.7466 Ang C(23) at 55.121 73.046 109.158 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.33874 Ang O(22) at 54.413 72.039 109.135 in (null):R-9999 (2) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:2.71934 Ang C(23) at 55.121 73.046 109.158 in (null):R-9999 (2) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:3.05432 Ang N(24) at 55.837 73.447 108.11 in (null):V-9999 (3) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:3.07991 Ang CA(25) at 55.818 72.687 106.862 in (null):V-9999 (3) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) self-bump: 1.32433 Ang CA(59) at 51.144 69.011 109.46 in (null):H-9999 (7) and CB(60) at 51.7163 69.5415 110.53 in (null):H-9999 (7) Number of specific fragments= 2 total=114 Number of alignments=46 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-vit-adpstyle5.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-vit-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 25 :VIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1furA 373 :VRLLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.4934 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.50501 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.3582 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:3.15549 Ang CG(256) at 139.895 131.485 77.228 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:1.85409 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) neighbor-bump: 2.77026 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(263) at 141.263 129.689 79.366 in (null):S-9999 (34) other bump:1.92454 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:0.796205 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:2.85112 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) other bump:1.83592 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) T0136 64 :AFRKHRTT 1furA 407 :MLVTALNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=116 Number of alignments=47 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-vit-adpstyle1.pw.a2m.gz # 1furA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1furA/T0136-1furA-vit-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDP 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) Number of specific fragments= 1 total=117 Number of alignments=48 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 15 :RVEQLAEQRQVIEAG 1fuoA 365 :VIHNFLQSVRLLADG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0136 32 :ERRVEKQHSQGKQTARERLNNLL 1fuoA 380 :MESFNKHCAVGIEPNRERINQLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.55713 Ang O(65) at 128.628 158.539 69.488 in (null):Q-9999 (7) and CD2(71) at 126.819 156.899 70.2477 in (null):H-9999 (8) Number of specific fragments= 2 total=119 Number of alignments=49 # Reading fragments from alignment file # T0136 read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1fuoA read from /projects/compbio/experiments/casp5/t0136/t0136-1-80/1fuoA/T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 14 :GRVEQLAEQRQVIE 1fuoA 364 :MVIHNFLQSVRLLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0136 30 :GGERRVEKQHSQGKQTARERLNNLLDPHSFD 1fuoA 378 :DGMESFNKHCAVGIEPNRERINQLLNESLML Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.01006 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CZ(244) at 135.733 129.799 76.217 in (null):F-9999 (30) other bump:2.22321 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CZ(244) at 135.733 129.799 76.217 in (null):F-9999 (30) other bump:2.93023 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CE2(243) at 136.244 128.748 75.4607 in (null):F-9999 (30) other bump:2.72423 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CE2(243) at 136.244 128.748 75.4607 in (null):F-9999 (30) other bump:1.98326 Ang CD2(224) at 138.168 131.806 77.3048 in (null):H-9999 (28) and CE1(242) at 136.581 130.812 76.6529 in (null):F-9999 (30) other bump:2.37183 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CE1(242) at 136.581 130.812 76.6529 in (null):F-9999 (30) other bump:1.16088 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CE1(242) at 136.581 130.812 76.6529 in (null):F-9999 (30) other bump:2.1626 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CD2(241) at 137.605 128.718 75.1448 in (null):F-9999 (30) other bump:2.50827 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CD2(241) at 137.605 128.718 75.1448 in (null):F-9999 (30) other bump:2.1419 Ang CG(223) at 139.507 131.608 77.5249 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:1.43899 Ang CD2(224) at 138.168 131.806 77.3048 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:1.32045 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:0.507593 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:2.09686 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:2.90326 Ang CG(223) at 139.507 131.608 77.5249 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:2.71895 Ang CD2(224) at 138.168 131.806 77.3048 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:1.13883 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:1.66566 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:2.15665 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:1.90128 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CB(238) at 139.923 129.689 75.2302 in (null):F-9999 (30) other bump:2.01319 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CB(238) at 139.923 129.689 75.2302 in (null):F-9999 (30) other bump:2.56309 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CA(237) at 140.726 128.417 75.86 in (null):F-9999 (30) other bump:2.47051 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CA(237) at 140.726 128.417 75.86 in (null):F-9999 (30) other bump:3.16523 Ang CG(223) at 139.507 131.608 77.5249 in (null):H-9999 (28) and N(236) at 140.891 128.773 77.269 in (null):F-9999 (30) other bump:2.46669 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and N(236) at 140.891 128.773 77.269 in (null):F-9999 (30) other bump:1.89294 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and N(236) at 140.891 128.773 77.269 in (null):F-9999 (30) neighbor-bump: 2.55713 Ang O(73) at 128.628 158.539 69.488 in (null):Q-9999 (9) and CD2(79) at 126.819 156.899 70.2477 in (null):H-9999 (10) Number of specific fragments= 2 total=121 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 1ivhA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1ivhA-T0136-local-adpstyle1.pw.a2m.gz # 1ivhA read from 1ivhA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 36 :EKQHSQGKQTARERLNNLLDPHSFD 1ivhA 14 :SEEQRQLRQTMAKFLQEHLAPKAQE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.91136 Ang CD(6) at 16.3726 65.9572 11.7103 in (null):E-9999 (1) and OE1(25) at 16.2467 67.7756 12.2856 in (null):Q-9999 (3) other bump:1.77054 Ang OE2(8) at 15.9097 66.1345 12.8585 in (null):E-9999 (1) and OE1(25) at 16.2467 67.7756 12.2856 in (null):Q-9999 (3) other bump:3.083 Ang CD(6) at 16.3726 65.9572 11.7103 in (null):E-9999 (1) and CD(24) at 16.6614 68.84 12.7643 in (null):Q-9999 (3) Number of specific fragments= 1 total=122 Number of alignments=51 # Reading fragments from alignment file # T0136 read from 1ivhA-T0136-local-adpstyle5.pw.a2m.gz # 1ivhA read from 1ivhA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 37 :KQHSQGKQTARERLNNLLDPH 1ivhA 15 :EEQRQLRQTMAKFLQEHLAPK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues Number of specific fragments= 1 total=123 Number of alignments=52 # Reading fragments from alignment file # T0136 read from 1ivhA-T0136-vit-adpstyle1.pw.a2m.gz # 1ivhA read from 1ivhA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 36 :EKQHSQGKQTARERLNNLLDPHSFD 1ivhA 14 :SEEQRQLRQTMAKFLQEHLAPKAQE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.91136 Ang CD(6) at 16.3726 65.9572 11.7103 in (null):E-9999 (1) and OE1(25) at 16.2467 67.7756 12.2856 in (null):Q-9999 (3) other bump:1.77054 Ang OE2(8) at 15.9097 66.1345 12.8585 in (null):E-9999 (1) and OE1(25) at 16.2467 67.7756 12.2856 in (null):Q-9999 (3) other bump:3.083 Ang CD(6) at 16.3726 65.9572 11.7103 in (null):E-9999 (1) and CD(24) at 16.6614 68.84 12.7643 in (null):Q-9999 (3) Number of specific fragments= 1 total=124 Number of alignments=53 # Reading fragments from alignment file # T0136 read from 1ivhA-T0136-vit-adpstyle5.pw.a2m.gz # 1ivhA read from 1ivhA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 37 :KQHSQGKQTARERLNNLLDPH 1ivhA 15 :EEQRQLRQTMAKFLQEHLAPK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues Number of specific fragments= 1 total=125 Number of alignments=54 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 1 :AENNNLKLASTMEGRVEQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNL 1ivhA 6 :VDDAINGLSEEQRQLRQTMAKFLQEHLAPKAQEIDRSNEFKNLREFWKQLGNL Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.39897 Ang NE2(166) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD2(414) at 29.468 77.238 5.972 in (null):L-9999 (52) other bump:3.0204 Ang CD(164) at 29.9711 78.4757 2.93703 in (null):Q-9999 (21) and CD1(413) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.33796 Ang NE2(166) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD1(413) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.9517 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.99704 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.24514 Ang CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.53237 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH1(381) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.83174 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH1(381) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.56896 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.78472 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.44169 Ang CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:1.85307 Ang CG(327) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and NH2(362) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.21861 Ang CD(328) at 44.1835 72.0709 -2.59844 in (null):K-9999 (42) and NH2(362) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.55689 Ang CG(327) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and CZ(360) at 43.0111 71.853 0.32149 in (null):R-9999 (46) other bump:2.56231 Ang CD(254) at 38.8942 73.1315 -8.54206 in (null):R-9999 (33) and OG(308) at 40.8531 73.3795 -6.90908 in (null):S-9999 (39) other bump:2.12455 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.01398 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:1.43739 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.58839 Ang NH1(246) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:2.74099 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.80029 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:0.795023 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.22779 Ang NH1(246) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.52821 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.30112 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.57912 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.72751 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CG(280) at 43.2527 77.8976 -14.4889 in (null):K-9999 (36) other bump:2.64517 Ang CG(163) at 29.471 78.8127 1.54942 in (null):Q-9999 (21) and CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) other bump:2.39786 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and NH2(177) at 26.3628 71.3668 -0.676763 in (null):R-9999 (22) other bump:2.87276 Ang CD2(143) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and NH1(176) at 28.4972 71.5621 0.159907 in (null):R-9999 (22) other bump:2.75051 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and CZ(175) at 27.6183 71.7837 -0.815891 in (null):R-9999 (22) other bump:2.58971 Ang CG(25) at 12.348 68.1902 1.00366 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.0016 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.6419 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and CD(93) at 13.5157 68.9918 4.25532 in (null):E-9999 (12) neighbor-bump: 2.34936 Ang N(30) at 11.91 64.299 -1.088 in (null):N-9999 (4) and N(38) at 13.262 62.415 -0.711 in (null):L-9999 (5) other bump:1.78067 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:1.16277 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.14862 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.64177 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.46649 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.42937 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) T0136 56 :PHS 1ivhA 70 :GGS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.91538 Ang CE1(15) at 31.2197 64.1103 12.944 in (null):H-9999 (2) and CA(26) at 29.184 64.174 15.03 in (null):G-9999 (4) other bump:2.65476 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and CA(26) at 29.184 64.174 15.03 in (null):G-9999 (4) other bump:2.45184 Ang CE1(15) at 31.2197 64.1103 12.944 in (null):H-9999 (2) and N(25) at 29.788 65.375 14.481 in (null):G-9999 (4) other bump:3.07512 Ang CG(12) at 32.8205 65.0134 14.1214 in (null):H-9999 (2) and N(25) at 29.788 65.375 14.481 in (null):G-9999 (4) other bump:1.80756 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and N(25) at 29.788 65.375 14.481 in (null):G-9999 (4) neighbor-bump: 2.8508 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and C(24) at 29.134 66.536 14.452 in (null):S-9999 (3) neighbor-bump: 2.51708 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and N(19) at 31.306 67.485 13.794 in (null):S-9999 (3) neighbor-bump: 1.25417 Ang O(0) at 37.83 68.59 16.588 in (null):G-9999 (0) and CD(6) at 37.45 69.2399 17.5911 in (null):P-9999 (1) neighbor-bump: 1.11811 Ang C(1) at 37.117 68.176 17.505 in (null):G-9999 (0) and CD(6) at 37.45 69.2399 17.5911 in (null):P-9999 (1) self-bump: 2.19973 Ang CA(3) at 35.399 69.814 17.041 in (null):P-9999 (1) and CD(6) at 37.45 69.2399 17.5911 in (null):P-9999 (1) neighbor-bump: 2.50348 Ang C(1) at 37.117 68.176 17.505 in (null):G-9999 (0) and CG(5) at 37.1585 70.5775 18.2109 in (null):P-9999 (1) T0136 59 :FDEVGAFRKHRTTLFGMDK 1ivhA 76 :YLEHVLVMEEISRASGAVG Fragment has 51 clashes (null) has 51 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.86218 Ang NH1(94) at 35.6399 68.7184 -3.59236 in (null):R-9999 (11) and C(159) at 35.004 65.981 -4.135 in (null):K-9999 (19) other bump:2.10873 Ang N(68) at 27.683 65.386 -2.305 in (null):K-9999 (9) and NZ(157) at 29.1942 65.152 -3.75697 in (null):K-9999 (19) other bump:2.40345 Ang CA(69) at 26.851 65.613 -3.486 in (null):K-9999 (9) and NZ(157) at 29.1942 65.152 -3.75697 in (null):K-9999 (19) other bump:2.78265 Ang CB(100) at 29.9778 66.1806 -6.22094 in (null):T-9999 (12) and NZ(157) at 29.1942 65.152 -3.75697 in (null):K-9999 (19) other bump:2.40485 Ang OG1(102) at 30.9724 65.67 -5.29098 in (null):T-9999 (12) and NZ(157) at 29.1942 65.152 -3.75697 in (null):K-9999 (19) other bump:1.37335 Ang O(66) at 29.555 66.331 -3.152 in (null):R-9999 (8) and NZ(157) at 29.1942 65.152 -3.75697 in (null):K-9999 (19) other bump:1.64199 Ang C(67) at 28.963 65.739 -2.241 in (null):R-9999 (8) and NZ(157) at 29.1942 65.152 -3.75697 in (null):K-9999 (19) other bump:2.99626 Ang C(76) at 26.729 67.089 -3.883 in (null):K-9999 (9) and CE(156) at 29.4701 66.2094 -4.71375 in (null):K-9999 (19) other bump:1.59065 Ang CB(100) at 29.9778 66.1806 -6.22094 in (null):T-9999 (12) and CE(156) at 29.4701 66.2094 -4.71375 in (null):K-9999 (19) other bump:1.6973 Ang OG1(102) at 30.9724 65.67 -5.29098 in (null):T-9999 (12) and CE(156) at 29.4701 66.2094 -4.71375 in (null):K-9999 (19) other bump:1.56877 Ang O(66) at 29.555 66.331 -3.152 in (null):R-9999 (8) and CE(156) at 29.4701 66.2094 -4.71375 in (null):K-9999 (19) other bump:2.56768 Ang C(67) at 28.963 65.739 -2.241 in (null):R-9999 (8) and CE(156) at 29.4701 66.2094 -4.71375 in (null):K-9999 (19) other bump:2.25265 Ang N(98) at 30.154 68.312 -5.145 in (null):T-9999 (12) and CE(156) at 29.4701 66.2094 -4.71375 in (null):K-9999 (19) other bump:2.4612 Ang CA(99) at 30.341 67.707 -6.462 in (null):T-9999 (12) and CE(156) at 29.4701 66.2094 -4.71375 in (null):K-9999 (19) other bump:1.00593 Ang CB(100) at 29.9778 66.1806 -6.22094 in (null):T-9999 (12) and CD(155) at 30.6903 65.8968 -5.57002 in (null):K-9999 (19) other bump:2.10339 Ang CG2(101) at 30.058 65.3866 -7.51019 in (null):T-9999 (12) and CD(155) at 30.6903 65.8968 -5.57002 in (null):K-9999 (19) other bump:0.45701 Ang OG1(102) at 30.9724 65.67 -5.29098 in (null):T-9999 (12) and CD(155) at 30.6903 65.8968 -5.57002 in (null):K-9999 (19) other bump:2.51027 Ang N(98) at 30.154 68.312 -5.145 in (null):T-9999 (12) and CD(155) at 30.6903 65.8968 -5.57002 in (null):K-9999 (19) other bump:2.04804 Ang CA(99) at 30.341 67.707 -6.462 in (null):T-9999 (12) and CD(155) at 30.6903 65.8968 -5.57002 in (null):K-9999 (19) other bump:2.50469 Ang CB(100) at 29.9778 66.1806 -6.22094 in (null):T-9999 (12) and CG(154) at 31.982 65.8644 -4.75242 in (null):K-9999 (19) other bump:1.16069 Ang OG1(102) at 30.9724 65.67 -5.29098 in (null):T-9999 (12) and CG(154) at 31.982 65.8644 -4.75242 in (null):K-9999 (19) other bump:3.08001 Ang N(98) at 30.154 68.312 -5.145 in (null):T-9999 (12) and CG(154) at 31.982 65.8644 -4.75242 in (null):K-9999 (19) other bump:3.00179 Ang CA(99) at 30.341 67.707 -6.462 in (null):T-9999 (12) and CG(154) at 31.982 65.8644 -4.75242 in (null):K-9999 (19) other bump:3.17404 Ang CB(100) at 29.9778 66.1806 -6.22094 in (null):T-9999 (12) and CB(153) at 32.9767 66.807 -5.3911 in (null):K-9999 (19) other bump:2.30652 Ang OG1(102) at 30.9724 65.67 -5.29098 in (null):T-9999 (12) and CB(153) at 32.9767 66.807 -5.3911 in (null):K-9999 (19) other bump:2.98395 Ang CA(99) at 30.341 67.707 -6.462 in (null):T-9999 (12) and CB(153) at 32.9767 66.807 -5.3911 in (null):K-9999 (19) other bump:2.3256 Ang NH1(94) at 35.6399 68.7184 -3.59236 in (null):R-9999 (11) and CA(152) at 34.125 67.173 -4.444 in (null):K-9999 (19) other bump:2.92721 Ang CZ(93) at 35.8992 69.8201 -2.89417 in (null):R-9999 (11) and N(151) at 34.924 68.18 -5.114 in (null):K-9999 (19) other bump:1.76571 Ang NH1(94) at 35.6399 68.7184 -3.59236 in (null):R-9999 (11) and N(151) at 34.924 68.18 -5.114 in (null):K-9999 (19) other bump:1.92716 Ang CZ(93) at 35.8992 69.8201 -2.89417 in (null):R-9999 (11) and C(150) at 35.954 68.756 -4.5 in (null):D-9999 (18) other bump:0.96119 Ang NH1(94) at 35.6399 68.7184 -3.59236 in (null):R-9999 (11) and C(150) at 35.954 68.756 -4.5 in (null):D-9999 (18) other bump:2.47442 Ang NH2(95) at 37.0504 70.4526 -3.071 in (null):R-9999 (11) and C(150) at 35.954 68.756 -4.5 in (null):D-9999 (18) other bump:1.44141 Ang CZ(93) at 35.8992 69.8201 -2.89417 in (null):R-9999 (11) and O(149) at 36.272 68.5 -3.337 in (null):D-9999 (18) other bump:0.715863 Ang NH1(94) at 35.6399 68.7184 -3.59236 in (null):R-9999 (11) and O(149) at 36.272 68.5 -3.337 in (null):D-9999 (18) other bump:2.11884 Ang NH2(95) at 37.0504 70.4526 -3.071 in (null):R-9999 (11) and O(149) at 36.272 68.5 -3.337 in (null):D-9999 (18) other bump:1.07963 Ang CZ(128) at 35.6037 73.2525 -5.37152 in (null):F-9999 (15) and OD2(148) at 36.6584 73.481 -5.40307 in (null):D-9999 (18) other bump:1.42725 Ang CE2(127) at 36.2524 72.4614 -6.3156 in (null):F-9999 (15) and OD2(148) at 36.6584 73.481 -5.40307 in (null):D-9999 (18) other bump:2.03357 Ang CE2(127) at 36.2524 72.4614 -6.3156 in (null):F-9999 (15) and OD1(147) at 38.204 72.0231 -5.94891 in (null):D-9999 (18) other bump:2.47395 Ang CD2(125) at 35.625 72.1712 -7.53093 in (null):F-9999 (15) and CG(146) at 37.0639 72.3065 -5.52305 in (null):D-9999 (18) other bump:1.74649 Ang CZ(128) at 35.6037 73.2525 -5.37152 in (null):F-9999 (15) and CG(146) at 37.0639 72.3065 -5.52305 in (null):D-9999 (18) other bump:1.14486 Ang CE2(127) at 36.2524 72.4614 -6.3156 in (null):F-9999 (15) and CG(146) at 37.0639 72.3065 -5.52305 in (null):D-9999 (18) other bump:2.6254 Ang CZ(93) at 35.8992 69.8201 -2.89417 in (null):R-9999 (11) and CB(145) at 36.12 71.1842 -5.1265 in (null):D-9999 (18) other bump:2.64585 Ang CD2(125) at 35.625 72.1712 -7.53093 in (null):F-9999 (15) and CB(145) at 36.12 71.1842 -5.1265 in (null):D-9999 (18) other bump:2.14587 Ang CZ(128) at 35.6037 73.2525 -5.37152 in (null):F-9999 (15) and CB(145) at 36.12 71.1842 -5.1265 in (null):D-9999 (18) other bump:2.37191 Ang NH2(95) at 37.0504 70.4526 -3.071 in (null):R-9999 (11) and CB(145) at 36.12 71.1842 -5.1265 in (null):D-9999 (18) other bump:1.7501 Ang CE2(127) at 36.2524 72.4614 -6.3156 in (null):F-9999 (15) and CB(145) at 36.12 71.1842 -5.1265 in (null):D-9999 (18) other bump:2.56015 Ang CZ(93) at 35.8992 69.8201 -2.89417 in (null):R-9999 (11) and CA(144) at 36.743 69.783 -5.311 in (null):D-9999 (18) other bump:2.30303 Ang NH1(94) at 35.6399 68.7184 -3.59236 in (null):R-9999 (11) and CA(144) at 36.743 69.783 -5.311 in (null):D-9999 (18) other bump:2.35807 Ang NH2(95) at 37.0504 70.4526 -3.071 in (null):R-9999 (11) and CA(144) at 36.743 69.783 -5.311 in (null):D-9999 (18) other bump:2.90237 Ang CE2(127) at 36.2524 72.4614 -6.3156 in (null):F-9999 (15) and CA(144) at 36.743 69.783 -5.311 in (null):D-9999 (18) other bump:3.09072 Ang CE2(127) at 36.2524 72.4614 -6.3156 in (null):F-9999 (15) and N(143) at 36.764 69.443 -6.74 in (null):D-9999 (18) Number of specific fragments= 3 total=128 Number of alignments=55 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 2 :ENNNLKLASTMEGRVEQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNL 1ivhA 7 :DDAINGLSEEQRQLRQTMAKFLQEHLAPKAQEIDRSNEFKNLREFWKQLGNL Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.39897 Ang NE2(163) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD2(411) at 29.468 77.238 5.972 in (null):L-9999 (52) other bump:3.0204 Ang CD(161) at 29.9711 78.4757 2.93703 in (null):Q-9999 (21) and CD1(410) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.33796 Ang NE2(163) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD1(410) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.9517 Ang CG2(197) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH2(379) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.99704 Ang CG1(196) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH2(379) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.24514 Ang CD1(198) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and NH2(379) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.53237 Ang CG2(197) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH1(378) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.83174 Ang CG1(196) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH1(378) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.56896 Ang CG2(197) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and CZ(377) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.78472 Ang CG1(196) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and CZ(377) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.44169 Ang CD1(198) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and CZ(377) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:1.85307 Ang CG(324) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and NH2(359) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.21861 Ang CD(325) at 44.1835 72.0709 -2.59844 in (null):K-9999 (42) and NH2(359) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.55689 Ang CG(324) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and CZ(357) at 43.0111 71.853 0.32149 in (null):R-9999 (46) other bump:2.56231 Ang CD(251) at 38.8942 73.1315 -8.54206 in (null):R-9999 (33) and OG(305) at 40.8531 73.3795 -6.90908 in (null):S-9999 (39) other bump:2.12455 Ang NE(241) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and NZ(280) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.01398 Ang CZ(242) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and NZ(280) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:1.43739 Ang NH2(244) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and NZ(280) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.58839 Ang NH1(243) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CE(279) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:2.74099 Ang NE(241) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CE(279) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.80029 Ang CZ(242) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CE(279) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:0.795023 Ang NH2(244) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CE(279) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.22779 Ang NH1(243) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CD(278) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.52821 Ang NE(241) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CD(278) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.30112 Ang CZ(242) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CD(278) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.57912 Ang NH2(244) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CD(278) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.72751 Ang NE(241) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CG(277) at 43.2527 77.8976 -14.4889 in (null):K-9999 (36) other bump:2.64517 Ang CG(160) at 29.471 78.8127 1.54942 in (null):Q-9999 (21) and CD1(198) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) other bump:2.39786 Ang CB(137) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and NH2(174) at 26.3628 71.3668 -0.676763 in (null):R-9999 (22) other bump:2.87276 Ang CD2(140) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and NH1(173) at 28.4972 71.5621 0.159907 in (null):R-9999 (22) other bump:2.75051 Ang CB(137) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and CZ(172) at 27.6183 71.7837 -0.815891 in (null):R-9999 (22) other bump:2.58971 Ang CG(22) at 12.348 68.1902 1.00366 in (null):N-9999 (3) and OE2(92) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.0016 Ang OD1(24) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and OE2(92) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.6419 Ang OD1(24) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and CD(90) at 13.5157 68.9918 4.25532 in (null):E-9999 (12) neighbor-bump: 2.34936 Ang N(27) at 11.91 64.299 -1.088 in (null):N-9999 (4) and N(35) at 13.262 62.415 -0.711 in (null):L-9999 (5) other bump:1.78067 Ang CG(14) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:1.16277 Ang ND2(15) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.14862 Ang OD1(16) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.64177 Ang CG(14) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.46649 Ang ND2(15) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.42937 Ang OD1(16) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) T0136 56 :PHS 1ivhA 70 :GGS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.91538 Ang CE1(15) at 31.2197 64.1103 12.944 in (null):H-9999 (2) and CA(26) at 29.184 64.174 15.03 in (null):G-9999 (4) other bump:2.65476 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and CA(26) at 29.184 64.174 15.03 in (null):G-9999 (4) other bump:2.45184 Ang CE1(15) at 31.2197 64.1103 12.944 in (null):H-9999 (2) and N(25) at 29.788 65.375 14.481 in (null):G-9999 (4) other bump:3.07512 Ang CG(12) at 32.8205 65.0134 14.1214 in (null):H-9999 (2) and N(25) at 29.788 65.375 14.481 in (null):G-9999 (4) other bump:1.80756 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and N(25) at 29.788 65.375 14.481 in (null):G-9999 (4) neighbor-bump: 2.8508 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and C(24) at 29.134 66.536 14.452 in (null):S-9999 (3) neighbor-bump: 2.51708 Ang ND1(14) at 31.4621 64.9763 13.9281 in (null):H-9999 (2) and N(19) at 31.306 67.485 13.794 in (null):S-9999 (3) neighbor-bump: 1.25417 Ang O(0) at 37.83 68.59 16.588 in (null):G-9999 (0) and CD(6) at 37.45 69.2399 17.5911 in (null):P-9999 (1) neighbor-bump: 1.11811 Ang C(1) at 37.117 68.176 17.505 in (null):G-9999 (0) and CD(6) at 37.45 69.2399 17.5911 in (null):P-9999 (1) self-bump: 2.19973 Ang CA(3) at 35.399 69.814 17.041 in (null):P-9999 (1) and CD(6) at 37.45 69.2399 17.5911 in (null):P-9999 (1) neighbor-bump: 2.50348 Ang C(1) at 37.117 68.176 17.505 in (null):G-9999 (0) and CG(5) at 37.1585 70.5775 18.2109 in (null):P-9999 (1) T0136 59 :FDEVGAFRKHRTTL 1ivhA 76 :YLEHVLVMEEISRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 3 total=131 Number of alignments=56 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 3 :NNNLKLASTMEGRVEQLAEQRQVIE 1ivhA 288 :GHFQLMQGKMADMYTRLMACRQYVY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.81088 Ang CG(160) at 18.896 61.462 -4.168 in (null):R-9999 (21) and OE2(198) at 18.6857 61.7512 -1.37996 in (null):E-9999 (25) other bump:2.86071 Ang CG(5) at 12.2608 70.6003 -22.3704 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.209 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.59243 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and SD(73) at 12.621 68.061 -20.152 in (null):M-9999 (10) other bump:1.96332 Ang O(0) at 12.694 69.531 -27.492 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) other bump:2.61026 Ang C(1) at 12.894 70.71 -27.21 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=133 Number of alignments=57 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 4 :NNLKLASTMEGRVEQLAEQRQVIE 1ivhA 289 :HFQLMQGKMADMYTRLMACRQYVY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.81088 Ang CG(152) at 18.896 61.462 -4.168 in (null):R-9999 (20) and OE2(190) at 18.6857 61.7512 -1.37996 in (null):E-9999 (24) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=135 Number of alignments=58 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 1 :AENNNLKLASTMEGRVEQLAEQRQVIEAG 1ivhA 6 :VDDAINGLSEEQRQLRQTMAKFLQEHLAP Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.64517 Ang CG(163) at 29.471 78.8127 1.54942 in (null):Q-9999 (21) and CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) other bump:2.39786 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and NH2(177) at 26.3628 71.3668 -0.676763 in (null):R-9999 (22) other bump:2.87276 Ang CD2(143) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and NH1(176) at 28.4972 71.5621 0.159907 in (null):R-9999 (22) other bump:2.75051 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and CZ(175) at 27.6183 71.7837 -0.815891 in (null):R-9999 (22) other bump:2.58971 Ang CG(25) at 12.348 68.1902 1.00366 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.0016 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.6419 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and CD(93) at 13.5157 68.9918 4.25532 in (null):E-9999 (12) neighbor-bump: 2.34936 Ang N(30) at 11.91 64.299 -1.088 in (null):N-9999 (4) and N(38) at 13.262 62.415 -0.711 in (null):L-9999 (5) other bump:1.78067 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:1.16277 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.14862 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.64177 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.46649 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.42937 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) T0136 33 :RRVEKQHSQGKQTARER 1ivhA 35 :KAQEIDRSNEFKNLREF Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.54825 Ang NH1(9) at 38.8718 79.5811 -4.95582 in (null):R-9999 (1) and OG1(109) at 39.6742 79.0906 -3.72588 in (null):T-9999 (13) other bump:2.65848 Ang CZ(8) at 39.1811 80.0776 -6.14462 in (null):R-9999 (1) and OG1(109) at 39.6742 79.0906 -3.72588 in (null):T-9999 (13) other bump:2.67258 Ang NH1(9) at 38.8718 79.5811 -4.95582 in (null):R-9999 (1) and CG2(108) at 40.8964 81.1311 -4.15519 in (null):T-9999 (13) other bump:2.83021 Ang CZ(8) at 39.1811 80.0776 -6.14462 in (null):R-9999 (1) and CG2(108) at 40.8964 81.1311 -4.15519 in (null):T-9999 (13) other bump:2.62617 Ang NH2(10) at 40.4721 80.1583 -6.55734 in (null):R-9999 (1) and CG2(108) at 40.8964 81.1311 -4.15519 in (null):T-9999 (13) other bump:2.56171 Ang NH1(9) at 38.8718 79.5811 -4.95582 in (null):R-9999 (1) and CB(107) at 40.7436 79.9126 -3.23858 in (null):T-9999 (13) other bump:2.15616 Ang CD(44) at 38.9673 73.2365 -8.436 in (null):K-9999 (5) and NZ(93) at 37.714 71.4864 -8.31276 in (null):K-9999 (11) other bump:3.05806 Ang CE(45) at 39.7491 73.4566 -7.16023 in (null):K-9999 (5) and NZ(93) at 37.714 71.4864 -8.31276 in (null):K-9999 (11) other bump:2.04273 Ang NZ(46) at 39.6792 72.253 -6.28437 in (null):K-9999 (5) and CE(92) at 39.1876 71.6018 -8.15705 in (null):K-9999 (11) other bump:2.62166 Ang CG(43) at 39.7622 73.673 -9.65801 in (null):K-9999 (5) and CE(92) at 39.1876 71.6018 -8.15705 in (null):K-9999 (11) other bump:1.67285 Ang CD(44) at 38.9673 73.2365 -8.436 in (null):K-9999 (5) and CE(92) at 39.1876 71.6018 -8.15705 in (null):K-9999 (11) other bump:2.17921 Ang CE(45) at 39.7491 73.4566 -7.16023 in (null):K-9999 (5) and CE(92) at 39.1876 71.6018 -8.15705 in (null):K-9999 (11) other bump:0.90268 Ang NZ(46) at 39.6792 72.253 -6.28437 in (null):K-9999 (5) and CD(91) at 39.5803 72.6268 -7.10006 in (null):K-9999 (11) other bump:2.76964 Ang CG(43) at 39.7622 73.673 -9.65801 in (null):K-9999 (5) and CD(91) at 39.5803 72.6268 -7.10006 in (null):K-9999 (11) other bump:1.59128 Ang CD(44) at 38.9673 73.2365 -8.436 in (null):K-9999 (5) and CD(91) at 39.5803 72.6268 -7.10006 in (null):K-9999 (11) other bump:0.848896 Ang CE(45) at 39.7491 73.4566 -7.16023 in (null):K-9999 (5) and CD(91) at 39.5803 72.6268 -7.10006 in (null):K-9999 (11) other bump:2.19296 Ang NZ(46) at 39.6792 72.253 -6.28437 in (null):K-9999 (5) and CG(90) at 40.378 73.7685 -7.70713 in (null):K-9999 (11) other bump:2.04799 Ang CG(43) at 39.7622 73.673 -9.65801 in (null):K-9999 (5) and CG(90) at 40.378 73.7685 -7.70713 in (null):K-9999 (11) other bump:1.67462 Ang CD(44) at 38.9673 73.2365 -8.436 in (null):K-9999 (5) and CG(90) at 40.378 73.7685 -7.70713 in (null):K-9999 (11) other bump:0.889922 Ang CE(45) at 39.7491 73.4566 -7.16023 in (null):K-9999 (5) and CG(90) at 40.378 73.7685 -7.70713 in (null):K-9999 (11) other bump:2.75985 Ang NZ(46) at 39.6792 72.253 -6.28437 in (null):K-9999 (5) and CB(89) at 41.2971 74.4505 -6.69733 in (null):K-9999 (11) other bump:3.15033 Ang CD(44) at 38.9673 73.2365 -8.436 in (null):K-9999 (5) and CB(89) at 41.2971 74.4505 -6.69733 in (null):K-9999 (11) other bump:1.89698 Ang CE(45) at 39.7491 73.4566 -7.16023 in (null):K-9999 (5) and CB(89) at 41.2971 74.4505 -6.69733 in (null):K-9999 (11) T0136 62 :VGAFRKHRTTLFGMDKAVV 1ivhA 52 :WKQLGNLGVLGITAPVQYG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.85808 Ang NH2(67) at 32.9242 68.8681 16.3053 in (null):R-9999 (8) and C(150) at 34.659 69.317 15.814 in (null):V-9999 (19) other bump:2.57474 Ang NE(64) at 32.6641 70.5463 14.747 in (null):R-9999 (8) and C(150) at 34.659 69.317 15.814 in (null):V-9999 (19) other bump:2.56823 Ang CZ(65) at 32.1234 69.6089 15.5285 in (null):R-9999 (8) and C(150) at 34.659 69.317 15.814 in (null):V-9999 (19) other bump:1.8683 Ang NE(64) at 32.6641 70.5463 14.747 in (null):R-9999 (8) and O(149) at 34.467 70.069 14.858 in (null):V-9999 (19) other bump:2.48065 Ang CZ(65) at 32.1234 69.6089 15.5285 in (null):R-9999 (8) and O(149) at 34.467 70.069 14.858 in (null):V-9999 (19) neighbor-bump: 2.11199 Ang O(142) at 37.83 68.59 16.588 in (null):V-9999 (18) and CB(146) at 36.9548 70.5049 16.7536 in (null):V-9999 (19) neighbor-bump: 2.45252 Ang C(143) at 37.117 68.176 17.505 in (null):V-9999 (18) and CB(146) at 36.9548 70.5049 16.7536 in (null):V-9999 (19) other bump:2.74967 Ang NH2(67) at 32.9242 68.8681 16.3053 in (null):R-9999 (8) and CA(145) at 35.399 69.814 17.041 in (null):V-9999 (19) other bump:2.17627 Ang CG1(5) at 40.786 72.6309 4.46976 in (null):V-9999 (1) and NH1(36) at 41.4914 72.3685 6.51174 in (null):R-9999 (5) other bump:2.8839 Ang CG1(5) at 40.786 72.6309 4.46976 in (null):V-9999 (1) and CZ(35) at 41.3006 73.5121 7.1671 in (null):R-9999 (5) Number of specific fragments= 3 total=138 Number of alignments=59 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 2 :ENNNLKLASTMEGRVEQ 1ivhA 14 :SEEQRQLRQTMAKFLQE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues self-bump: 1.35648 Ang CA(12) at 14.37 69.43 8.425 in (null):N-9999 (2) and CB(13) at 13.5894 70.4283 8.90874 in (null):N-9999 (2) Number of specific fragments= 1 total=139 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 3 :NNNLKLASTMEGRVEQLAEQRQVIE 1ivhA 288 :GHFQLMQGKMADMYTRLMACRQYVY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.81088 Ang CG(160) at 18.896 61.462 -4.168 in (null):R-9999 (21) and OE2(198) at 18.6857 61.7512 -1.37996 in (null):E-9999 (25) other bump:2.86071 Ang CG(5) at 12.2608 70.6003 -22.3704 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.209 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.59243 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and SD(73) at 12.621 68.061 -20.152 in (null):M-9999 (10) other bump:1.96332 Ang O(0) at 12.694 69.531 -27.492 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) other bump:2.61026 Ang C(1) at 12.894 70.71 -27.21 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=141 Number of alignments=60 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 4 :NNLKLASTMEGRVEQLAEQRQVIE 1ivhA 289 :HFQLMQGKMADMYTRLMACRQYVY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.81088 Ang CG(152) at 18.896 61.462 -4.168 in (null):R-9999 (20) and OE2(190) at 18.6857 61.7512 -1.37996 in (null):E-9999 (24) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=143 Number of alignments=61 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 1 :AENNNLKLASTMEGRVEQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1ivhA 6 :VDDAINGLSEEQRQLRQTMAKFLQEHLAPKAQEIDRSNEFKNLREFWKQLGNLGVLGI Fragment has 48 clashes (null) has 48 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:2.5903 Ang O(391) at 33.625 73.34 6.846 in (null):L-9999 (49) and CD(437) at 34.2221 70.8604 7.2984 in (null):P-9999 (55) other bump:3.18893 Ang C(392) at 34.607 73.872 6.323 in (null):L-9999 (49) and CD(437) at 34.2221 70.8604 7.2984 in (null):P-9999 (55) neighbor-bump: 2.58528 Ang N(425) at 31.696 71.046 7.816 in (null):D-9999 (54) and CD(437) at 34.2221 70.8604 7.2984 in (null):P-9999 (55) other bump:3.16839 Ang C(392) at 34.607 73.872 6.323 in (null):L-9999 (49) and CG(436) at 35.6634 70.9281 6.82899 in (null):P-9999 (55) other bump:3.14618 Ang N(393) at 35.75 74.07 6.968 in (null):N-9999 (50) and CG(436) at 35.6634 70.9281 6.82899 in (null):P-9999 (55) other bump:3.14608 Ang CA(394) at 35.896 73.67 8.354 in (null):N-9999 (50) and CG(436) at 35.6634 70.9281 6.82899 in (null):P-9999 (55) other bump:2.45966 Ang CD2(143) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and OD1(429) at 29.587 72.2617 4.69803 in (null):D-9999 (54) other bump:2.39897 Ang NE2(166) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD2(414) at 29.468 77.238 5.972 in (null):L-9999 (52) other bump:3.0204 Ang CD(164) at 29.9711 78.4757 2.93703 in (null):Q-9999 (21) and CD1(413) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.33796 Ang NE2(166) at 29.3245 77.5244 3.59452 in (null):Q-9999 (21) and CD1(413) at 30.905 75.984 4.366 in (null):L-9999 (52) other bump:2.9517 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.99704 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.24514 Ang CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and NH2(382) at 32.2723 80.9164 0.980306 in (null):R-9999 (48) other bump:1.53237 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and NH1(381) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.83174 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and NH1(381) at 34.1398 80.2266 -0.146309 in (null):R-9999 (48) other bump:2.56896 Ang CG2(200) at 33.4686 79.5351 -1.33776 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.78472 Ang CG1(199) at 31.5305 81.0565 -0.868566 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:2.44169 Ang CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) and CZ(380) at 33.5622 80.6255 0.986442 in (null):R-9999 (48) other bump:1.85307 Ang CG(327) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and NH2(362) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.21861 Ang CD(328) at 44.1835 72.0709 -2.59844 in (null):K-9999 (42) and NH2(362) at 43.9847 72.3814 -0.410677 in (null):R-9999 (46) other bump:2.55689 Ang CG(327) at 43.1725 73.0081 -1.95391 in (null):K-9999 (42) and CZ(360) at 43.0111 71.853 0.32149 in (null):R-9999 (46) other bump:2.56231 Ang CD(254) at 38.8942 73.1315 -8.54206 in (null):R-9999 (33) and OG(308) at 40.8531 73.3795 -6.90908 in (null):S-9999 (39) other bump:2.12455 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.01398 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:1.43739 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and NZ(283) at 44.285 80.6454 -13.6769 in (null):K-9999 (36) other bump:2.58839 Ang NH1(246) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:2.74099 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.80029 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:0.795023 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CE(282) at 45.0179 79.7188 -14.6098 in (null):K-9999 (36) other bump:1.22779 Ang NH1(246) at 43.1195 78.8752 -16.1537 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.52821 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.30112 Ang CZ(245) at 43.3508 79.8534 -15.2757 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:1.57912 Ang NH2(247) at 44.5838 80.2408 -15.0234 in (null):R-9999 (32) and CD(281) at 44.0899 78.7906 -15.4063 in (null):K-9999 (36) other bump:2.72751 Ang NE(244) at 42.3849 80.4804 -14.6129 in (null):R-9999 (32) and CG(280) at 43.2527 77.8976 -14.4889 in (null):K-9999 (36) other bump:2.64517 Ang CG(163) at 29.471 78.8127 1.54942 in (null):Q-9999 (21) and CD1(201) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) other bump:2.39786 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and NH2(177) at 26.3628 71.3668 -0.676763 in (null):R-9999 (22) other bump:2.87276 Ang CD2(143) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and NH1(176) at 28.4972 71.5621 0.159907 in (null):R-9999 (22) other bump:2.75051 Ang CB(140) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and CZ(175) at 27.6183 71.7837 -0.815891 in (null):R-9999 (22) other bump:2.58971 Ang CG(25) at 12.348 68.1902 1.00366 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.0016 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and OE2(95) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.6419 Ang OD1(27) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and CD(93) at 13.5157 68.9918 4.25532 in (null):E-9999 (12) neighbor-bump: 2.34936 Ang N(30) at 11.91 64.299 -1.088 in (null):N-9999 (4) and N(38) at 13.262 62.415 -0.711 in (null):L-9999 (5) other bump:1.78067 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:1.16277 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.14862 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and ND2(34) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.64177 Ang CG(17) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.46649 Ang ND2(18) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.42937 Ang OD1(19) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and CG(33) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) T0136 64 :AFRKHRTTLFGMDKAVV 1ivhA 65 :APVQYGGSGLGYLEHVL Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.87366 Ang CD2(86) at 25.6874 66.3932 10.8364 in (null):F-9999 (10) and CD(116) at 23.5001 65.3314 9.30463 in (null):K-9999 (14) other bump:1.63939 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CZ(89) at 26.625 68.5631 11.3677 in (null):F-9999 (10) other bump:2.76384 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CE2(88) at 25.528 67.774 11.0208 in (null):F-9999 (10) other bump:0.63829 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:1.80651 Ang CB(68) at 29.5196 67.9646 12.308 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:3.074 Ang CA(67) at 29.882 67.731 13.861 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:2.65458 Ang OG1(70) at 30.226 69.1706 11.9066 in (null):T-9999 (8) and CE1(87) at 27.8869 67.9718 11.5348 in (null):F-9999 (10) other bump:1.77995 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CD1(85) at 28.0283 66.5771 11.3507 in (null):F-9999 (10) other bump:2.25067 Ang CB(68) at 29.5196 67.9646 12.308 in (null):T-9999 (8) and CD1(85) at 28.0283 66.5771 11.3507 in (null):F-9999 (10) other bump:2.86235 Ang CG2(69) at 28.0308 68.1822 12.12 in (null):T-9999 (8) and CG(84) at 26.9343 65.7872 10.9997 in (null):F-9999 (10) other bump:2.80789 Ang CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.0817 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.11207 Ang CA(8) at 33.177 63.28 17.142 in (null):F-9999 (2) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.44291 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CD2(78) at 31.1186 63.6531 17.4332 in (null):L-9999 (9) other bump:2.66625 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CD1(77) at 29.6813 65.1502 18.8355 in (null):L-9999 (9) other bump:2.90772 Ang CA(19) at 32.158 66.647 18.552 in (null):R-9999 (3) and CD1(77) at 29.6813 65.1502 18.8355 in (null):L-9999 (9) other bump:1.92076 Ang CB(20) at 30.7446 66.7019 19.2241 in (null):R-9999 (3) and CD1(77) at 29.6813 65.1502 18.8355 in (null):L-9999 (9) other bump:3.06237 Ang CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:2.28911 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:2.97074 Ang CA(19) at 32.158 66.647 18.552 in (null):R-9999 (3) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:2.69244 Ang CB(20) at 30.7446 66.7019 19.2241 in (null):R-9999 (3) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:3.17952 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CG(76) at 30.1229 64.8027 17.4196 in (null):L-9999 (9) other bump:1.20267 Ang O(5) at 32.58 64.623 14.757 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:2.56837 Ang N(2) at 32.933 63.237 12.283 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:2.41365 Ang CA(3) at 33.901 63.167 13.378 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:2.74586 Ang CB(4) at 35.145 63.985 13.036 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:1.95428 Ang C(6) at 33.317 63.63 14.708 in (null):A-9999 (1) and OG1(63) at 32.863 65.3035 13.8066 in (null):T-9999 (7) other bump:1.70451 Ang O(5) at 32.58 64.623 14.757 in (null):A-9999 (1) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.03584 Ang N(18) at 32.251 65.254 18.132 in (null):R-9999 (3) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.70989 Ang CA(19) at 32.158 66.647 18.552 in (null):R-9999 (3) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.43109 Ang C(6) at 33.317 63.63 14.708 in (null):A-9999 (1) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.70904 Ang N(7) at 33.667 62.939 15.81 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:2.42625 Ang CA(8) at 33.177 63.28 17.142 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:1.77068 Ang O(16) at 34.303 65.403 17.202 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:1.56238 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CG2(62) at 32.8461 65.4911 16.1996 in (null):T-9999 (7) other bump:1.60041 Ang O(5) at 32.58 64.623 14.757 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:3.15308 Ang CA(3) at 33.901 63.167 13.378 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:3.12565 Ang CB(4) at 35.145 63.985 13.036 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.28339 Ang C(6) at 33.317 63.63 14.708 in (null):A-9999 (1) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:3.08638 Ang N(7) at 33.667 62.939 15.81 in (null):F-9999 (2) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.45304 Ang O(16) at 34.303 65.403 17.202 in (null):F-9999 (2) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.82727 Ang C(17) at 33.301 64.749 17.497 in (null):F-9999 (2) and CB(61) at 33.5407 65.8923 14.9223 in (null):T-9999 (7) other bump:2.42588 Ang CD2(12) at 33.8213 63.1639 20.5766 in (null):F-9999 (2) and CB(31) at 35.4051 64.7224 21.5501 in (null):K-9999 (4) other bump:2.68665 Ang CE2(14) at 33.1951 63.2168 21.8103 in (null):F-9999 (2) and CB(31) at 35.4051 64.7224 21.5501 in (null):K-9999 (4) other bump:3.19286 Ang CD2(12) at 33.8213 63.1639 20.5766 in (null):F-9999 (2) and CA(30) at 34.991 66.1 21.03 in (null):K-9999 (4) Number of specific fragments= 2 total=145 Number of alignments=62 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 2 :ENNNLKLASTMEGRVEQLAEQRQVIEAGG 1ivhA 7 :DDAINGLSEEQRQLRQTMAKFLQEHLAPK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.64517 Ang CG(160) at 29.471 78.8127 1.54942 in (null):Q-9999 (21) and CD1(198) at 31.1643 80.5706 0.529744 in (null):I-9999 (25) other bump:2.39786 Ang CB(137) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and NH2(174) at 26.3628 71.3668 -0.676763 in (null):R-9999 (22) other bump:2.87276 Ang CD2(140) at 28.0866 72.6479 2.78765 in (null):L-9999 (18) and NH1(173) at 28.4972 71.5621 0.159907 in (null):R-9999 (22) other bump:2.75051 Ang CB(137) at 26.1055 72.7374 1.27387 in (null):L-9999 (18) and CZ(172) at 27.6183 71.7837 -0.815891 in (null):R-9999 (22) other bump:2.58971 Ang CG(22) at 12.348 68.1902 1.00366 in (null):N-9999 (3) and OE2(92) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.0016 Ang OD1(24) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and OE2(92) at 12.8047 68.215 3.55267 in (null):E-9999 (12) other bump:2.6419 Ang OD1(24) at 12.5217 69.1649 1.81365 in (null):N-9999 (3) and CD(90) at 13.5157 68.9918 4.25532 in (null):E-9999 (12) neighbor-bump: 2.34936 Ang N(27) at 11.91 64.299 -1.088 in (null):N-9999 (4) and N(35) at 13.262 62.415 -0.711 in (null):L-9999 (5) other bump:1.78067 Ang CG(14) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:1.16277 Ang ND2(15) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.14862 Ang OD1(16) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and ND2(31) at 9.33964 64.5585 -3.92377 in (null):N-9999 (4) other bump:2.64177 Ang CG(14) at 10.2882 66.0573 -4.08142 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.46649 Ang ND2(15) at 9.47663 65.2934 -4.81441 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) other bump:2.42937 Ang OD1(16) at 10.0624 66.3052 -2.90231 in (null):N-9999 (2) and CG(30) at 9.36927 63.9834 -2.72732 in (null):N-9999 (4) Number of specific fragments= 1 total=146 Number of alignments=63 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 3 :NNNLKLASTMEGRVEQLAEQRQVIE 1ivhA 288 :GHFQLMQGKMADMYTRLMACRQYVY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.81088 Ang CG(160) at 18.896 61.462 -4.168 in (null):R-9999 (21) and OE2(198) at 18.6857 61.7512 -1.37996 in (null):E-9999 (25) other bump:2.86071 Ang CG(5) at 12.2608 70.6003 -22.3704 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.209 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and CE(74) at 11.583 67.94 -21.566 in (null):M-9999 (10) other bump:2.59243 Ang OD1(7) at 12.9251 69.5568 -22.2474 in (null):N-9999 (1) and SD(73) at 12.621 68.061 -20.152 in (null):M-9999 (10) other bump:1.96332 Ang O(0) at 12.694 69.531 -27.492 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) other bump:2.61026 Ang C(1) at 12.894 70.71 -27.21 in (null):G-9999 (0) and CD1(47) at 14.4333 68.7209 -27.9082 in (null):L-9999 (6) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=148 Number of alignments=64 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set T0136 4 :NNLKLASTMEGRVEQLAEQRQVIE 1ivhA 289 :HFQLMQGKMADMYTRLMACRQYVY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.81088 Ang CG(152) at 18.896 61.462 -4.168 in (null):R-9999 (20) and OE2(190) at 18.6857 61.7512 -1.37996 in (null):E-9999 (24) T0136 34 :RVEKQHSQGKQTARERLNNLL 1ivhA 313 :NVAKACDEGHCTAKDCAGVIL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.58678 Ang CB(15) at 22.751 52.171 1.021 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.60337 Ang CG2(17) at 21.989 51.291 0.039 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.82672 Ang CG1(16) at 23.997 51.444 1.496 in (null):V-9999 (2) and ND2(157) at 24.0577 52.2599 -1.20972 in (null):N-9999 (19) other bump:2.09064 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and OE1(122) at 23.4491 45.3335 2.83325 in (null):E-9999 (15) other bump:2.81607 Ang OG1(98) at 25.533 45.501 2.839 in (null):T-9999 (12) and CD(121) at 22.9298 45.8606 1.82696 in (null):E-9999 (15) other bump:2.20815 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and NE2(91) at 29.8884 50.7722 7.41377 in (null):Q-9999 (11) other bump:2.13994 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.1021 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.37159 Ang CD2(51) at 27.6874 54.4039 7.67465 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:0.611317 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:1.71629 Ang NE2(54) at 28.9143 54.0014 8.14988 in (null):H-9999 (6) and OE1(90) at 28.6018 52.3278 8.36616 in (null):Q-9999 (11) other bump:2.64094 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.26121 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:1.45545 Ang CE1(53) at 28.9971 52.6844 8.06572 in (null):H-9999 (6) and CD(89) at 28.7125 51.304 7.70231 in (null):Q-9999 (11) other bump:2.76045 Ang CG(50) at 27.0156 53.2865 7.29648 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:1.73837 Ang ND1(52) at 27.8657 52.2265 7.55216 in (null):H-9999 (6) and CG(88) at 27.4834 50.5677 7.1998 in (null):Q-9999 (11) other bump:2.47898 Ang NH1(9) at 16.1287 55.2833 5.21129 in (null):R-9999 (1) and CD(33) at 17.166 57.461 5.783 in (null):K-9999 (4) Number of specific fragments= 2 total=150 Number of alignments=65 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-local-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-local-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 35 :VEKQHSQGKQTARERLNNLL 1ivhA 314 :VAKACDEGHCTAKDCAGVIL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.58678 Ang CB(4) at 22.751 52.171 1.021 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.60337 Ang CG2(6) at 21.989 51.291 0.039 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.82672 Ang CG1(5) at 23.997 51.444 1.496 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.09064 Ang OG1(87) at 25.533 45.501 2.839 in (null):T-9999 (11) and OE1(111) at 23.4491 45.3335 2.83325 in (null):E-9999 (14) other bump:2.81607 Ang OG1(87) at 25.533 45.501 2.839 in (null):T-9999 (11) and CD(110) at 22.9298 45.8606 1.82696 in (null):E-9999 (14) other bump:2.20815 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and NE2(80) at 29.8884 50.7722 7.41377 in (null):Q-9999 (10) other bump:2.13994 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:1.1021 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:1.71629 Ang NE2(43) at 28.9143 54.0014 8.14988 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:2.37159 Ang CD2(40) at 27.6874 54.4039 7.67465 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:0.611317 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:2.64094 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:1.26121 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:1.45545 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:2.76045 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and CG(77) at 27.4834 50.5677 7.1998 in (null):Q-9999 (10) other bump:1.73837 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and CG(77) at 27.4834 50.5677 7.1998 in (null):Q-9999 (10) Number of specific fragments= 1 total=151 Number of alignments=66 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-local-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-local-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set Number of specific fragments= 0 total=151 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-simpleSW-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 35 :VEKQHSQGKQTARERLNNLL 1ivhA 314 :VAKACDEGHCTAKDCAGVIL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.58678 Ang CB(4) at 22.751 52.171 1.021 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.60337 Ang CG2(6) at 21.989 51.291 0.039 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.82672 Ang CG1(5) at 23.997 51.444 1.496 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.09064 Ang OG1(87) at 25.533 45.501 2.839 in (null):T-9999 (11) and OE1(111) at 23.4491 45.3335 2.83325 in (null):E-9999 (14) other bump:2.81607 Ang OG1(87) at 25.533 45.501 2.839 in (null):T-9999 (11) and CD(110) at 22.9298 45.8606 1.82696 in (null):E-9999 (14) other bump:2.20815 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and NE2(80) at 29.8884 50.7722 7.41377 in (null):Q-9999 (10) other bump:2.13994 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:1.1021 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:1.71629 Ang NE2(43) at 28.9143 54.0014 8.14988 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:2.37159 Ang CD2(40) at 27.6874 54.4039 7.67465 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:0.611317 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:2.64094 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:1.26121 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:1.45545 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:2.76045 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and CG(77) at 27.4834 50.5677 7.1998 in (null):Q-9999 (10) other bump:1.73837 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and CG(77) at 27.4834 50.5677 7.1998 in (null):Q-9999 (10) Number of specific fragments= 1 total=152 Number of alignments=67 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-simpleSW-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set Number of specific fragments= 0 total=152 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-vit-adpstyle1.pw.a2m.gz # 1ivhA read from T0136-1ivhA-vit-adpstyle1.pw.a2m.gz # found chain 1ivhA in template set T0136 35 :VEKQHSQGKQTARERLNNLL 1ivhA 314 :VAKACDEGHCTAKDCAGVIL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.58678 Ang CB(4) at 22.751 52.171 1.021 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.60337 Ang CG2(6) at 21.989 51.291 0.039 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.82672 Ang CG1(5) at 23.997 51.444 1.496 in (null):V-9999 (1) and ND2(146) at 24.0577 52.2599 -1.20972 in (null):N-9999 (18) other bump:2.09064 Ang OG1(87) at 25.533 45.501 2.839 in (null):T-9999 (11) and OE1(111) at 23.4491 45.3335 2.83325 in (null):E-9999 (14) other bump:2.81607 Ang OG1(87) at 25.533 45.501 2.839 in (null):T-9999 (11) and CD(110) at 22.9298 45.8606 1.82696 in (null):E-9999 (14) other bump:2.20815 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and NE2(80) at 29.8884 50.7722 7.41377 in (null):Q-9999 (10) other bump:2.13994 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:1.1021 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:1.71629 Ang NE2(43) at 28.9143 54.0014 8.14988 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:2.37159 Ang CD2(40) at 27.6874 54.4039 7.67465 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:0.611317 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and OE1(79) at 28.6018 52.3278 8.36616 in (null):Q-9999 (10) other bump:2.64094 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:1.26121 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:1.45545 Ang CE1(42) at 28.9971 52.6844 8.06572 in (null):H-9999 (5) and CD(78) at 28.7125 51.304 7.70231 in (null):Q-9999 (10) other bump:2.76045 Ang CG(39) at 27.0156 53.2865 7.29648 in (null):H-9999 (5) and CG(77) at 27.4834 50.5677 7.1998 in (null):Q-9999 (10) other bump:1.73837 Ang ND1(41) at 27.8657 52.2265 7.55216 in (null):H-9999 (5) and CG(77) at 27.4834 50.5677 7.1998 in (null):Q-9999 (10) Number of specific fragments= 1 total=153 Number of alignments=68 # Reading fragments from alignment file # T0136 read from T0136-1ivhA-vit-adpstyle5.pw.a2m.gz # 1ivhA read from T0136-1ivhA-vit-adpstyle5.pw.a2m.gz # found chain 1ivhA in template set Number of specific fragments= 0 total=153 # command:# Prefix for input files set to 1fuoA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1fuoA-T0136-local-adpstyle1.pw.a2m.gz # 1fuoA read from 1fuoA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHSFDE 1fuoA 12 :GAIDVPADKLWGAQTQRSLEHFRISTEKMPT Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.81246 Ang CB(203) at 95.8161 159.988 66.4105 in (null):D-9999 (25) and CD(213) at 97.7343 161.623 67.6581 in (null):P-9999 (26) neighbor-bump: 1.99054 Ang O(199) at 94.098 161.292 64.61 in (null):L-9999 (24) and CG(204) at 95.6555 160.088 64.9062 in (null):D-9999 (25) neighbor-bump: 2.64467 Ang C(200) at 93.322 161.148 65.559 in (null):L-9999 (24) and CG(204) at 95.6555 160.088 64.9062 in (null):D-9999 (25) other bump:2.89722 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and NH1(137) at 79.725 170.14 54.915 in (null):R-9999 (17) other bump:2.96704 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and NE(135) at 81.316 169.365 53.426 in (null):R-9999 (17) other bump:2.62319 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CD(134) at 81.667 168.187 54.225 in (null):R-9999 (17) other bump:1.46918 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CG(133) at 82.452 168.522 55.488 in (null):R-9999 (17) other bump:2.2745 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CB(132) at 83.933 168.559 55.202 in (null):R-9999 (17) other bump:2.63869 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CA(131) at 84.793 168.95 56.401 in (null):R-9999 (17) other bump:3.00158 Ang CZ(21) at 82.5977 170.964 56.7659 in (null):R-9999 (3) and CA(131) at 84.793 168.95 56.401 in (null):R-9999 (17) other bump:2.97813 Ang NE(20) at 83.4573 171.796 56.1854 in (null):R-9999 (3) and N(130) at 85.772 169.934 55.978 in (null):R-9999 (17) other bump:3.01584 Ang CD(19) at 83.8523 173.093 56.7295 in (null):R-9999 (3) and CB(127) at 86.771 172.93 55.988 in (null):A-9999 (16) other bump:2.34693 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and C(124) at 88.897 170.016 55.027 in (null):T-9999 (15) other bump:2.61304 Ang CD(91) at 90.9724 172.712 54.9516 in (null):Q-9999 (11) and CG2(121) at 91.787 170.29 54.407 in (null):T-9999 (15) other bump:1.65879 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and CG2(121) at 91.787 170.29 54.407 in (null):T-9999 (15) other bump:2.78372 Ang CG(90) at 91.1178 173.212 53.5131 in (null):Q-9999 (11) and CB(120) at 90.715 170.462 53.351 in (null):T-9999 (15) other bump:2.7735 Ang CD(91) at 90.9724 172.712 54.9516 in (null):Q-9999 (11) and CB(120) at 90.715 170.462 53.351 in (null):T-9999 (15) other bump:1.99428 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and CB(120) at 90.715 170.462 53.351 in (null):T-9999 (15) other bump:2.66311 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and CA(119) at 89.475 169.588 53.669 in (null):T-9999 (15) other bump:2.79169 Ang OE1(49) at 92.3891 178.743 61.2946 in (null):E-9999 (6) and CE1(77) at 94.196 178.383 59.1972 in (null):H-9999 (9) Number of specific fragments= 1 total=154 Number of alignments=69 # Reading fragments from alignment file # T0136 read from 1fuoA-T0136-local-adpstyle5.pw.a2m.gz # 1fuoA read from 1fuoA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 30 :GGERRVEKQHSQGKQTARERLNNLLD 1fuoA 430 :KEGLTLKAAALALGYLSEAEFDSWVR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:1.4155 Ang CD2(79) at 154.14 125.369 81.0922 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:2.45482 Ang ND1(80) at 152.818 123.645 80.8278 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:1.62833 Ang CE1(81) at 153.944 123.378 80.1837 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:0.326001 Ang NE2(82) at 154.761 124.408 80.3284 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:2.40482 Ang CG(78) at 152.91 124.893 81.4153 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:2.90006 Ang CD2(79) at 154.14 125.369 81.0922 in (null):H-9999 (10) and CB(124) at 155.985 123.523 79.8274 in (null):T-9999 (16) other bump:2.07696 Ang CE1(81) at 153.944 123.378 80.1837 in (null):H-9999 (10) and CB(124) at 155.985 123.523 79.8274 in (null):T-9999 (16) other bump:1.59088 Ang NE2(82) at 154.761 124.408 80.3284 in (null):H-9999 (10) and CB(124) at 155.985 123.523 79.8274 in (null):T-9999 (16) other bump:2.7382 Ang NE2(82) at 154.761 124.408 80.3284 in (null):H-9999 (10) and CA(123) at 157.014 122.959 80.898 in (null):T-9999 (16) other bump:2.2285 Ang CD(23) at 148.482 128.813 89.912 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:2.39592 Ang NE(24) at 148.703 127.797 90.9377 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:2.26058 Ang CZ(25) at 148.593 128.016 92.2456 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:1.80642 Ang NH1(26) at 148.265 129.224 92.6945 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:2.93748 Ang CG(22) at 147.043 129.309 89.9149 in (null):R-9999 (4) and CD(61) at 149.205 131.223 89.3744 in (null):K-9999 (8) other bump:2.57277 Ang CD(23) at 148.482 128.813 89.912 in (null):R-9999 (4) and CD(61) at 149.205 131.223 89.3744 in (null):K-9999 (8) other bump:2.56664 Ang CD(23) at 148.482 128.813 89.912 in (null):R-9999 (4) and CG(60) at 150.146 130.286 88.6284 in (null):K-9999 (8) Number of specific fragments= 1 total=155 Number of alignments=70 # Reading fragments from alignment file # T0136 read from 1fuoA-T0136-vit-adpstyle1.pw.a2m.gz # 1fuoA read from 1fuoA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHSFDE 1fuoA 12 :GAIDVPADKLWGAQTQRSLEHFRISTEKMPT Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.81246 Ang CB(203) at 95.8161 159.988 66.4105 in (null):D-9999 (25) and CD(213) at 97.7343 161.623 67.6581 in (null):P-9999 (26) neighbor-bump: 1.99054 Ang O(199) at 94.098 161.292 64.61 in (null):L-9999 (24) and CG(204) at 95.6555 160.088 64.9062 in (null):D-9999 (25) neighbor-bump: 2.64467 Ang C(200) at 93.322 161.148 65.559 in (null):L-9999 (24) and CG(204) at 95.6555 160.088 64.9062 in (null):D-9999 (25) other bump:2.89722 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and NH1(137) at 79.725 170.14 54.915 in (null):R-9999 (17) other bump:2.96704 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and NE(135) at 81.316 169.365 53.426 in (null):R-9999 (17) other bump:2.62319 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CD(134) at 81.667 168.187 54.225 in (null):R-9999 (17) other bump:1.46918 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CG(133) at 82.452 168.522 55.488 in (null):R-9999 (17) other bump:2.2745 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CB(132) at 83.933 168.559 55.202 in (null):R-9999 (17) other bump:2.63869 Ang NH2(23) at 82.3059 169.805 56.1882 in (null):R-9999 (3) and CA(131) at 84.793 168.95 56.401 in (null):R-9999 (17) other bump:3.00158 Ang CZ(21) at 82.5977 170.964 56.7659 in (null):R-9999 (3) and CA(131) at 84.793 168.95 56.401 in (null):R-9999 (17) other bump:2.97813 Ang NE(20) at 83.4573 171.796 56.1854 in (null):R-9999 (3) and N(130) at 85.772 169.934 55.978 in (null):R-9999 (17) other bump:3.01584 Ang CD(19) at 83.8523 173.093 56.7295 in (null):R-9999 (3) and CB(127) at 86.771 172.93 55.988 in (null):A-9999 (16) other bump:2.34693 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and C(124) at 88.897 170.016 55.027 in (null):T-9999 (15) other bump:2.61304 Ang CD(91) at 90.9724 172.712 54.9516 in (null):Q-9999 (11) and CG2(121) at 91.787 170.29 54.407 in (null):T-9999 (15) other bump:1.65879 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and CG2(121) at 91.787 170.29 54.407 in (null):T-9999 (15) other bump:2.78372 Ang CG(90) at 91.1178 173.212 53.5131 in (null):Q-9999 (11) and CB(120) at 90.715 170.462 53.351 in (null):T-9999 (15) other bump:2.7735 Ang CD(91) at 90.9724 172.712 54.9516 in (null):Q-9999 (11) and CB(120) at 90.715 170.462 53.351 in (null):T-9999 (15) other bump:1.99428 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and CB(120) at 90.715 170.462 53.351 in (null):T-9999 (15) other bump:2.66311 Ang NE2(93) at 90.7825 171.411 55.1035 in (null):Q-9999 (11) and CA(119) at 89.475 169.588 53.669 in (null):T-9999 (15) other bump:2.79169 Ang OE1(49) at 92.3891 178.743 61.2946 in (null):E-9999 (6) and CE1(77) at 94.196 178.383 59.1972 in (null):H-9999 (9) Number of specific fragments= 1 total=156 Number of alignments=71 # Reading fragments from alignment file # T0136 read from 1fuoA-T0136-vit-adpstyle5.pw.a2m.gz # 1fuoA read from 1fuoA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 30 :GGERRVEKQHSQGKQTARERLNNLLD 1fuoA 430 :KEGLTLKAAALALGYLSEAEFDSWVR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:1.4155 Ang CD2(79) at 154.14 125.369 81.0922 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:2.45482 Ang ND1(80) at 152.818 123.645 80.8278 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:1.62833 Ang CE1(81) at 153.944 123.378 80.1837 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:0.326001 Ang NE2(82) at 154.761 124.408 80.3284 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:2.40482 Ang CG(78) at 152.91 124.893 81.4153 in (null):H-9999 (10) and CG2(125) at 155.045 124.565 80.359 in (null):T-9999 (16) other bump:2.90006 Ang CD2(79) at 154.14 125.369 81.0922 in (null):H-9999 (10) and CB(124) at 155.985 123.523 79.8274 in (null):T-9999 (16) other bump:2.07696 Ang CE1(81) at 153.944 123.378 80.1837 in (null):H-9999 (10) and CB(124) at 155.985 123.523 79.8274 in (null):T-9999 (16) other bump:1.59088 Ang NE2(82) at 154.761 124.408 80.3284 in (null):H-9999 (10) and CB(124) at 155.985 123.523 79.8274 in (null):T-9999 (16) other bump:2.7382 Ang NE2(82) at 154.761 124.408 80.3284 in (null):H-9999 (10) and CA(123) at 157.014 122.959 80.898 in (null):T-9999 (16) other bump:2.2285 Ang CD(23) at 148.482 128.813 89.912 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:2.39592 Ang NE(24) at 148.703 127.797 90.9377 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:2.26058 Ang CZ(25) at 148.593 128.016 92.2456 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:1.80642 Ang NH1(26) at 148.265 129.224 92.6945 in (null):R-9999 (4) and NZ(63) at 149.425 129.999 91.5469 in (null):K-9999 (8) other bump:2.93748 Ang CG(22) at 147.043 129.309 89.9149 in (null):R-9999 (4) and CD(61) at 149.205 131.223 89.3744 in (null):K-9999 (8) other bump:2.57277 Ang CD(23) at 148.482 128.813 89.912 in (null):R-9999 (4) and CD(61) at 149.205 131.223 89.3744 in (null):K-9999 (8) other bump:2.56664 Ang CD(23) at 148.482 128.813 89.912 in (null):R-9999 (4) and CG(60) at 150.146 130.286 88.6284 in (null):K-9999 (8) Number of specific fragments= 1 total=157 Number of alignments=72 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 4 :NNLKLASTMEGRVEQ 1fuoA 46 :HALALTKRAAAKVNE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:0.76573 Ang O(76) at 98.955 166.661 33.76 in (null):E-9999 (10) and OE1(105) at 98.2264 166.887 33.6946 in (null):E-9999 (14) other bump:1.71731 Ang C(77) at 99.451 166.728 34.888 in (null):E-9999 (10) and OE1(105) at 98.2264 166.887 33.6946 in (null):E-9999 (14) other bump:1.79721 Ang O(76) at 98.955 166.661 33.76 in (null):E-9999 (10) and CD(104) at 97.256 166.115 33.5489 in (null):E-9999 (14) other bump:2.64345 Ang C(77) at 99.451 166.728 34.888 in (null):E-9999 (10) and CD(104) at 97.256 166.115 33.5489 in (null):E-9999 (14) T0136 19 :LAEQRQVIEAGG 1fuoA 73 :IRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.42789 Ang CZ(39) at 102.174 169.539 45.1969 in (null):R-9999 (5) and CD1(65) at 103.186 170.104 47.3302 in (null):I-9999 (8) other bump:2.00768 Ang NH1(40) at 101.62 170.345 46.097 in (null):R-9999 (5) and CD1(65) at 103.186 170.104 47.3302 in (null):I-9999 (8) other bump:2.28237 Ang NH2(41) at 103.067 168.638 45.585 in (null):R-9999 (5) and CD1(65) at 103.186 170.104 47.3302 in (null):I-9999 (8) other bump:2.83562 Ang NH1(40) at 101.62 170.345 46.097 in (null):R-9999 (5) and CG1(63) at 104.046 171.325 47.189 in (null):I-9999 (8) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLLNESL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.56309 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.47051 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.46669 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:3.16523 Ang CG(219) at 139.507 131.608 77.5249 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:1.89294 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) T0136 65 :FRKHRTTLFGMDKA 1fuoA 408 :LVTALNTHIGYDKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.41146 Ang CE2(83) at 151.525 116.489 79.1741 in (null):F-9999 (9) and CG(110) at 150.196 114.52 79.587 in (null):K-9999 (13) other bump:2.43531 Ang CD2(81) at 151.36 117.42 78.1489 in (null):F-9999 (9) and CB(109) at 149.795 115.961 79.312 in (null):K-9999 (13) other bump:1.81412 Ang CE2(83) at 151.525 116.489 79.1741 in (null):F-9999 (9) and CB(109) at 149.795 115.961 79.312 in (null):K-9999 (13) other bump:2.79814 Ang CZ(84) at 152.555 115.549 79.1033 in (null):F-9999 (9) and CB(109) at 149.795 115.961 79.312 in (null):K-9999 (13) Number of specific fragments= 4 total=161 Number of alignments=73 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 4 :NNLKLASTM 1fuoA 43 :SLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1fuoA 67 :EEKASAIRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42789 Ang CZ(88) at 102.174 169.539 45.1969 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.00768 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.28237 Ang NH2(90) at 103.067 168.638 45.585 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.83562 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CG1(112) at 104.046 171.325 47.189 in (null):I-9999 (14) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLLNESL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.56309 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.47051 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.46669 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:3.16523 Ang CG(219) at 139.507 131.608 77.5249 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:1.89294 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) T0136 64 :AFRKHRTTLFGMDKA 1fuoA 407 :MLVTALNTHIGYDKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.41146 Ang CE2(88) at 151.525 116.489 79.1741 in (null):F-9999 (10) and CG(115) at 150.196 114.52 79.587 in (null):K-9999 (14) other bump:1.81412 Ang CE2(88) at 151.525 116.489 79.1741 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) other bump:2.79814 Ang CZ(89) at 152.555 115.549 79.1033 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) other bump:2.43531 Ang CD2(86) at 151.36 117.42 78.1489 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) Number of specific fragments= 4 total=165 Number of alignments=74 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDP 1fuoA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.55713 Ang O(135) at 128.628 158.539 69.488 in (null):Q-9999 (17) and CD2(141) at 126.819 156.899 70.2477 in (null):H-9999 (18) other bump:1.92099 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:0.821144 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:2.83133 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) other bump:1.84608 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) Number of specific fragments= 1 total=166 Number of alignments=75 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 15 :RVEQLAEQRQ 1fuoA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.47051 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:2.56309 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:1.89294 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:2.46669 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:3.16523 Ang CG(241) at 139.507 131.608 77.5249 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) neighbor-bump: 2.55713 Ang O(91) at 128.628 158.539 69.488 in (null):Q-9999 (12) and CD2(97) at 126.819 156.899 70.2477 in (null):H-9999 (13) other bump:1.92099 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:0.821144 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:2.83133 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) other bump:1.84608 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) Number of specific fragments= 2 total=168 Number of alignments=76 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 4 :NNLKLASTMEGRVEQ 1fuoA 46 :HALALTKRAAAKVNE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:0.76573 Ang O(76) at 98.955 166.661 33.76 in (null):E-9999 (10) and OE1(105) at 98.2264 166.887 33.6946 in (null):E-9999 (14) other bump:1.71731 Ang C(77) at 99.451 166.728 34.888 in (null):E-9999 (10) and OE1(105) at 98.2264 166.887 33.6946 in (null):E-9999 (14) other bump:1.79721 Ang O(76) at 98.955 166.661 33.76 in (null):E-9999 (10) and CD(104) at 97.256 166.115 33.5489 in (null):E-9999 (14) other bump:2.64345 Ang C(77) at 99.451 166.728 34.888 in (null):E-9999 (10) and CD(104) at 97.256 166.115 33.5489 in (null):E-9999 (14) T0136 19 :LAEQRQVIEAGG 1fuoA 73 :IRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.42789 Ang CZ(39) at 102.174 169.539 45.1969 in (null):R-9999 (5) and CD1(65) at 103.186 170.104 47.3302 in (null):I-9999 (8) other bump:2.00768 Ang NH1(40) at 101.62 170.345 46.097 in (null):R-9999 (5) and CD1(65) at 103.186 170.104 47.3302 in (null):I-9999 (8) other bump:2.28237 Ang NH2(41) at 103.067 168.638 45.585 in (null):R-9999 (5) and CD1(65) at 103.186 170.104 47.3302 in (null):I-9999 (8) other bump:2.83562 Ang NH1(40) at 101.62 170.345 46.097 in (null):R-9999 (5) and CG1(63) at 104.046 171.325 47.189 in (null):I-9999 (8) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPH 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLLNES Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.27659 Ang O(191) at 141.294 136.329 78.821 in (null):L-9999 (23) and ND1(221) at 139.654 134.968 78.0191 in (null):H-9999 (27) other bump:3.1428 Ang C(192) at 141.502 137.478 78.425 in (null):L-9999 (23) and ND1(221) at 139.654 134.968 78.0191 in (null):H-9999 (27) neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) T0136 58 :SFDEVGAFRKHRT 1fuoA 446 :SEAEFDSWVRPEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.01924 Ang O(81) at 148.895 131.711 68.64 in (null):K-9999 (10) and OG1(108) at 149.669 130.842 66.99 in (null):T-9999 (13) other bump:2.14859 Ang O(50) at 155.407 128.979 70.437 in (null):A-9999 (7) and CE(79) at 155.604 130.937 69.5737 in (null):K-9999 (10) other bump:2.83425 Ang C(51) at 155.562 129.022 71.663 in (null):A-9999 (7) and CE(79) at 155.604 130.937 69.5737 in (null):K-9999 (10) Number of specific fragments= 4 total=172 Number of alignments=77 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 4 :NNLKLASTM 1fuoA 43 :SLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1fuoA 67 :EEKASAIRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42789 Ang CZ(88) at 102.174 169.539 45.1969 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.00768 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.28237 Ang NH2(90) at 103.067 168.638 45.585 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.83562 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CG1(112) at 104.046 171.325 47.189 in (null):I-9999 (14) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLLNESL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.56309 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.47051 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.46669 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:3.16523 Ang CG(219) at 139.507 131.608 77.5249 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:1.89294 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) Number of specific fragments= 3 total=175 Number of alignments=78 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 15 :RVEQLAEQRQVIEAG 1fuoA 365 :VIHNFLQSVRLLADG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0136 32 :ERRVEKQHSQGKQTARERLNNLL 1fuoA 380 :MESFNKHCAVGIEPNRERINQLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.55713 Ang O(65) at 128.628 158.539 69.488 in (null):Q-9999 (7) and CD2(71) at 126.819 156.899 70.2477 in (null):H-9999 (8) Number of specific fragments= 2 total=177 Number of alignments=79 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 14 :GRVEQLAEQRQVIE 1fuoA 364 :MVIHNFLQSVRLLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0136 30 :GGERRVEKQHSQGKQTARERLNNLLDPHSFD 1fuoA 378 :DGMESFNKHCAVGIEPNRERINQLLNESLML Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.01006 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CZ(244) at 135.733 129.799 76.217 in (null):F-9999 (30) other bump:2.22321 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CZ(244) at 135.733 129.799 76.217 in (null):F-9999 (30) other bump:2.93023 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CE2(243) at 136.244 128.748 75.4607 in (null):F-9999 (30) other bump:2.72423 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CE2(243) at 136.244 128.748 75.4607 in (null):F-9999 (30) other bump:1.98326 Ang CD2(224) at 138.168 131.806 77.3048 in (null):H-9999 (28) and CE1(242) at 136.581 130.812 76.6529 in (null):F-9999 (30) other bump:2.37183 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CE1(242) at 136.581 130.812 76.6529 in (null):F-9999 (30) other bump:1.16088 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CE1(242) at 136.581 130.812 76.6529 in (null):F-9999 (30) other bump:2.1626 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CD2(241) at 137.605 128.718 75.1448 in (null):F-9999 (30) other bump:2.50827 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CD2(241) at 137.605 128.718 75.1448 in (null):F-9999 (30) other bump:2.1419 Ang CG(223) at 139.507 131.608 77.5249 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:1.43899 Ang CD2(224) at 138.168 131.806 77.3048 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:1.32045 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:0.507593 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:2.09686 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CD1(240) at 137.938 130.771 76.3315 in (null):F-9999 (30) other bump:2.90326 Ang CG(223) at 139.507 131.608 77.5249 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:2.71895 Ang CD2(224) at 138.168 131.806 77.3048 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:1.13883 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:1.66566 Ang NE2(227) at 137.721 130.628 76.7675 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:2.15665 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CG(239) at 138.46 129.727 75.5773 in (null):F-9999 (30) other bump:1.90128 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CB(238) at 139.923 129.689 75.2302 in (null):F-9999 (30) other bump:2.01319 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CB(238) at 139.923 129.689 75.2302 in (null):F-9999 (30) other bump:2.56309 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and CA(237) at 140.726 128.417 75.86 in (null):F-9999 (30) other bump:2.47051 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and CA(237) at 140.726 128.417 75.86 in (null):F-9999 (30) other bump:3.16523 Ang CG(223) at 139.507 131.608 77.5249 in (null):H-9999 (28) and N(236) at 140.891 128.773 77.269 in (null):F-9999 (30) other bump:2.46669 Ang CE1(226) at 138.705 129.758 76.689 in (null):H-9999 (28) and N(236) at 140.891 128.773 77.269 in (null):F-9999 (30) other bump:1.89294 Ang ND1(225) at 139.823 130.33 77.1357 in (null):H-9999 (28) and N(236) at 140.891 128.773 77.269 in (null):F-9999 (30) neighbor-bump: 2.55713 Ang O(73) at 128.628 158.539 69.488 in (null):Q-9999 (9) and CD2(79) at 126.819 156.899 70.2477 in (null):H-9999 (10) Number of specific fragments= 2 total=179 Number of alignments=80 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 2 :ENNNLKLASTM 1fuoA 23 :GAQTQRSLEHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.3887 Ang CD1(56) at 88.6906 163.421 56.2324 in (null):L-9999 (7) and SD(82) at 89.5236 161.436 57.2679 in (null):M-9999 (11) T0136 13 :EGRVEQLAEQRQVIEAGG 1fuoA 67 :EEKASAIRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42789 Ang CZ(88) at 102.174 169.539 45.1969 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.00768 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.28237 Ang NH2(90) at 103.067 168.638 45.585 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.83562 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CG1(112) at 104.046 171.325 47.189 in (null):I-9999 (14) T0136 31 :GERRVEKQHSQGKQTARERLNNLL 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) T0136 60 :DEVGAFRKHRTTLFGMDKA 1fuoA 403 :NESLMLVTALNTHIGYDKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.41146 Ang CE2(116) at 151.525 116.489 79.1741 in (null):F-9999 (14) and CG(143) at 150.196 114.52 79.587 in (null):K-9999 (18) other bump:1.81412 Ang CE2(116) at 151.525 116.489 79.1741 in (null):F-9999 (14) and CB(142) at 149.795 115.961 79.312 in (null):K-9999 (18) other bump:2.79814 Ang CZ(117) at 152.555 115.549 79.1033 in (null):F-9999 (14) and CB(142) at 149.795 115.961 79.312 in (null):K-9999 (18) other bump:2.43531 Ang CD2(114) at 151.36 117.42 78.1489 in (null):F-9999 (14) and CB(142) at 149.795 115.961 79.312 in (null):K-9999 (18) other bump:2.55389 Ang CA(27) at 141.579 128.498 79.591 in (null):G-9999 (4) and NH2(54) at 141.309 126.428 81.0616 in (null):R-9999 (7) other bump:3.07807 Ang CA(27) at 141.579 128.498 79.591 in (null):G-9999 (4) and CZ(52) at 142.454 125.807 80.8024 in (null):R-9999 (7) other bump:2.15348 Ang O(0) at 143.627 134.554 77.171 in (null):G-9999 (0) and CE1(41) at 144.457 133.615 75.4198 in (null):F-9999 (6) other bump:2.94621 Ang C(1) at 143.723 135.771 77.289 in (null):G-9999 (0) and CE1(41) at 144.457 133.615 75.4198 in (null):F-9999 (6) Number of specific fragments= 4 total=183 Number of alignments=81 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 4 :NNLKLASTM 1fuoA 43 :SLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1fuoA 67 :EEKASAIRQAADEVLAGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.42789 Ang CZ(88) at 102.174 169.539 45.1969 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.00768 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.28237 Ang NH2(90) at 103.067 168.638 45.585 in (null):R-9999 (11) and CD1(114) at 103.186 170.104 47.3302 in (null):I-9999 (14) other bump:2.83562 Ang NH1(89) at 101.62 170.345 46.097 in (null):R-9999 (11) and CG1(112) at 104.046 171.325 47.189 in (null):I-9999 (14) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLLNESL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.56309 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.47051 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and CA(233) at 140.726 128.417 75.86 in (null):G-9999 (29) other bump:2.46669 Ang CE1(222) at 138.705 129.758 76.689 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:3.16523 Ang CG(219) at 139.507 131.608 77.5249 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) other bump:1.89294 Ang ND1(221) at 139.823 130.33 77.1357 in (null):H-9999 (27) and N(232) at 140.891 128.773 77.269 in (null):G-9999 (29) neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) T0136 64 :AFRKHRTTLFGMDK 1fuoA 407 :MLVTALNTHIGYDK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.41146 Ang CE2(88) at 151.525 116.489 79.1741 in (null):F-9999 (10) and CG(115) at 150.196 114.52 79.587 in (null):K-9999 (14) other bump:1.81412 Ang CE2(88) at 151.525 116.489 79.1741 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) other bump:2.79814 Ang CZ(89) at 152.555 115.549 79.1033 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) other bump:2.43531 Ang CD2(86) at 151.36 117.42 78.1489 in (null):F-9999 (10) and CB(114) at 149.795 115.961 79.312 in (null):K-9999 (14) Number of specific fragments= 4 total=187 Number of alignments=82 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDP 1fuoA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.55713 Ang O(135) at 128.628 158.539 69.488 in (null):Q-9999 (17) and CD2(141) at 126.819 156.899 70.2477 in (null):H-9999 (18) other bump:1.92099 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:0.821144 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and OE1(77) at 119.604 154.171 59.372 in (null):E-9999 (11) other bump:2.83133 Ang C(59) at 117.723 154.556 59.301 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) other bump:1.84608 Ang O(58) at 118.894 154.445 59.681 in (null):A-9999 (7) and CD(76) at 120.1 153.05 59.6087 in (null):E-9999 (11) Number of specific fragments= 1 total=188 Number of alignments=83 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 15 :RVEQLAEQRQ 1fuoA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.47051 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:2.56309 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and CA(255) at 140.726 128.417 75.86 in (null):G-9999 (33) other bump:1.89294 Ang ND1(243) at 139.823 130.33 77.1357 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:2.46669 Ang CE1(244) at 138.705 129.758 76.689 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) other bump:3.16523 Ang CG(241) at 139.507 131.608 77.5249 in (null):H-9999 (31) and N(254) at 140.891 128.773 77.269 in (null):G-9999 (33) neighbor-bump: 2.55713 Ang O(91) at 128.628 158.539 69.488 in (null):Q-9999 (12) and CD2(97) at 126.819 156.899 70.2477 in (null):H-9999 (13) other bump:1.92099 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:0.821144 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:2.83133 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) other bump:1.84608 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) T0136 64 :AFRKHRTTL 1fuoA 407 :MLVTALNTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 3 total=191 Number of alignments=84 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-local-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-local-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDP 1fuoA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.55713 Ang O(91) at 128.628 158.539 69.488 in (null):Q-9999 (12) and CD2(97) at 126.819 156.899 70.2477 in (null):H-9999 (13) other bump:1.92099 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:0.821144 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:2.83133 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) other bump:1.84608 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) Number of specific fragments= 1 total=192 Number of alignments=85 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-local-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-local-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 25 :VIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 373 :VRLLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.47051 Ang ND1(258) at 139.823 130.33 77.1357 in (null):H-9999 (33) and CA(270) at 140.726 128.417 75.86 in (null):G-9999 (35) other bump:2.56309 Ang CE1(259) at 138.705 129.758 76.689 in (null):H-9999 (33) and CA(270) at 140.726 128.417 75.86 in (null):G-9999 (35) other bump:1.89294 Ang ND1(258) at 139.823 130.33 77.1357 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) other bump:2.46669 Ang CE1(259) at 138.705 129.758 76.689 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) other bump:3.16523 Ang CG(256) at 139.507 131.608 77.5249 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) neighbor-bump: 2.55713 Ang O(106) at 128.628 158.539 69.488 in (null):Q-9999 (14) and CD2(112) at 126.819 156.899 70.2477 in (null):H-9999 (15) other bump:1.92099 Ang C(30) at 117.723 154.556 59.301 in (null):A-9999 (4) and OE1(48) at 119.604 154.171 59.372 in (null):E-9999 (8) other bump:0.821144 Ang O(29) at 118.894 154.445 59.681 in (null):A-9999 (4) and OE1(48) at 119.604 154.171 59.372 in (null):E-9999 (8) other bump:2.83133 Ang C(30) at 117.723 154.556 59.301 in (null):A-9999 (4) and CD(47) at 120.1 153.05 59.6087 in (null):E-9999 (8) other bump:1.84608 Ang O(29) at 118.894 154.445 59.681 in (null):A-9999 (4) and CD(47) at 120.1 153.05 59.6087 in (null):E-9999 (8) T0136 64 :AFRKHRTT 1fuoA 407 :MLVTALNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=194 Number of alignments=86 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-simpleSW-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLD 1fuoA 379 :GMESFNKHCAVGIEPNRERINQLLN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.55713 Ang O(69) at 128.628 158.539 69.488 in (null):Q-9999 (8) and CD2(75) at 126.819 156.899 70.2477 in (null):H-9999 (9) Number of specific fragments= 1 total=195 Number of alignments=87 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-simpleSW-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 28 :AGGGERRVEKQHSQGKQTARERLNNLLDPH 1fuoA 376 :LADGMESFNKHCAVGIEPNRERINQLLNES Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.27659 Ang O(204) at 141.294 136.329 78.821 in (null):L-9999 (26) and ND1(234) at 139.654 134.968 78.0191 in (null):H-9999 (30) other bump:3.1428 Ang C(205) at 141.502 137.478 78.425 in (null):L-9999 (26) and ND1(234) at 139.654 134.968 78.0191 in (null):H-9999 (30) neighbor-bump: 2.55713 Ang O(82) at 128.628 158.539 69.488 in (null):Q-9999 (11) and CD2(88) at 126.819 156.899 70.2477 in (null):H-9999 (12) other bump:0.821144 Ang O(5) at 118.894 154.445 59.681 in (null):A-9999 (1) and OE1(24) at 119.604 154.171 59.372 in (null):E-9999 (5) other bump:1.92099 Ang C(6) at 117.723 154.556 59.301 in (null):A-9999 (1) and OE1(24) at 119.604 154.171 59.372 in (null):E-9999 (5) other bump:1.84608 Ang O(5) at 118.894 154.445 59.681 in (null):A-9999 (1) and CD(23) at 120.1 153.05 59.6087 in (null):E-9999 (5) other bump:2.83133 Ang C(6) at 117.723 154.556 59.301 in (null):A-9999 (1) and CD(23) at 120.1 153.05 59.6087 in (null):E-9999 (5) T0136 59 :FDEVGAFR 1fuoA 406 :LMLVTALN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 71 :TLFGMDKA 1fuoA 414 :THIGYDKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.41146 Ang CE2(24) at 151.525 116.489 79.1741 in (null):F-9999 (3) and CG(51) at 150.196 114.52 79.587 in (null):K-9999 (7) other bump:2.79814 Ang CZ(25) at 152.555 115.549 79.1033 in (null):F-9999 (3) and CB(50) at 149.795 115.961 79.312 in (null):K-9999 (7) other bump:2.43531 Ang CD2(22) at 151.36 117.42 78.1489 in (null):F-9999 (3) and CB(50) at 149.795 115.961 79.312 in (null):K-9999 (7) other bump:1.81412 Ang CE2(24) at 151.525 116.489 79.1741 in (null):F-9999 (3) and CB(50) at 149.795 115.961 79.312 in (null):K-9999 (7) Number of specific fragments= 3 total=198 Number of alignments=88 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-vit-adpstyle1.pw.a2m.gz # 1fuoA read from T0136-1fuoA-vit-adpstyle1.pw.a2m.gz # found chain 1fuoA in template set T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDP 1fuoA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.55713 Ang O(91) at 128.628 158.539 69.488 in (null):Q-9999 (12) and CD2(97) at 126.819 156.899 70.2477 in (null):H-9999 (13) other bump:1.92099 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:0.821144 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and OE1(33) at 119.604 154.171 59.372 in (null):E-9999 (6) other bump:2.83133 Ang C(15) at 117.723 154.556 59.301 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) other bump:1.84608 Ang O(14) at 118.894 154.445 59.681 in (null):A-9999 (2) and CD(32) at 120.1 153.05 59.6087 in (null):E-9999 (6) Number of specific fragments= 1 total=199 Number of alignments=89 # Reading fragments from alignment file # T0136 read from T0136-1fuoA-vit-adpstyle5.pw.a2m.gz # 1fuoA read from T0136-1fuoA-vit-adpstyle5.pw.a2m.gz # found chain 1fuoA in template set T0136 25 :VIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1fuoA 373 :VRLLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.47051 Ang ND1(258) at 139.823 130.33 77.1357 in (null):H-9999 (33) and CA(270) at 140.726 128.417 75.86 in (null):G-9999 (35) other bump:2.56309 Ang CE1(259) at 138.705 129.758 76.689 in (null):H-9999 (33) and CA(270) at 140.726 128.417 75.86 in (null):G-9999 (35) other bump:1.89294 Ang ND1(258) at 139.823 130.33 77.1357 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) other bump:2.46669 Ang CE1(259) at 138.705 129.758 76.689 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) other bump:3.16523 Ang CG(256) at 139.507 131.608 77.5249 in (null):H-9999 (33) and N(269) at 140.891 128.773 77.269 in (null):G-9999 (35) neighbor-bump: 2.55713 Ang O(106) at 128.628 158.539 69.488 in (null):Q-9999 (14) and CD2(112) at 126.819 156.899 70.2477 in (null):H-9999 (15) other bump:1.92099 Ang C(30) at 117.723 154.556 59.301 in (null):A-9999 (4) and OE1(48) at 119.604 154.171 59.372 in (null):E-9999 (8) other bump:0.821144 Ang O(29) at 118.894 154.445 59.681 in (null):A-9999 (4) and OE1(48) at 119.604 154.171 59.372 in (null):E-9999 (8) other bump:2.83133 Ang C(30) at 117.723 154.556 59.301 in (null):A-9999 (4) and CD(47) at 120.1 153.05 59.6087 in (null):E-9999 (8) other bump:1.84608 Ang O(29) at 118.894 154.445 59.681 in (null):A-9999 (4) and CD(47) at 120.1 153.05 59.6087 in (null):E-9999 (8) T0136 64 :AFRKHRTT 1fuoA 407 :MLVTALNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=201 Number of alignments=90 # command:# Prefix for input files set to 1furA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1furA-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1furA read from 1furA-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 3 :NNNLKLASTMEGRVE 1furA 101 :QSNMNMNEVLANRAS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.4574 Ang O(75) at 96.303 175.21 42.91 in (null):M-9999 (10) and CG2(105) at 97.4711 175.763 40.8199 in (null):V-9999 (14) other bump:2.80749 Ang CG(46) at 97.9666 167.627 45.869 in (null):L-9999 (6) and CE(74) at 97.5053 168.876 43.3974 in (null):M-9999 (10) T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLLDPH 1furA 143 :VFPTAMHVAALLALRKQLIPQLKTLTQTLNEKSRAFADIV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.42608 Ang O(288) at 141.926 143.698 64.133 in (null):L-9999 (36) and CD(310) at 143.946 143.894 65.4626 in (null):P-9999 (39) other bump:2.84189 Ang C(289) at 142.17 144.645 63.375 in (null):L-9999 (36) and CD(310) at 143.946 143.894 65.4626 in (null):P-9999 (39) neighbor-bump: 2.67258 Ang N(298) at 144.792 142.998 63.091 in (null):D-9999 (38) and CD(310) at 143.946 143.894 65.4626 in (null):P-9999 (39) other bump:3.12702 Ang CA(267) at 140.994 146.793 58.439 in (null):N-9999 (34) and CG(293) at 142.372 144.08 59.1578 in (null):L-9999 (37) other bump:3.23513 Ang C(273) at 141.992 147.275 59.491 in (null):N-9999 (34) and CG(293) at 142.372 144.08 59.1578 in (null):L-9999 (37) other bump:3.07447 Ang NE2(39) at 104.106 161.852 46.8037 in (null):Q-9999 (5) and CG1(72) at 105.823 160.168 48.7186 in (null):I-9999 (9) T0136 58 :SFDEVGAFRKHRTTLFGMDKAV 1furA 305 :GIGEISIPENEPGSSIMPGKVN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.68701 Ang C(148) at 134.255 157.108 85.386 in (null):M-9999 (18) and CG(152) at 135.76 154.885 85.261 in (null):D-9999 (19) neighbor-bump: 1.87572 Ang O(147) at 134.78 156.249 86.097 in (null):M-9999 (18) and CG(152) at 135.76 154.885 85.261 in (null):D-9999 (19) neighbor-bump: 2.62837 Ang C(148) at 134.255 157.108 85.386 in (null):M-9999 (18) and CB(151) at 134.352 154.544 84.8174 in (null):D-9999 (19) neighbor-bump: 2.17443 Ang O(147) at 134.78 156.249 86.097 in (null):M-9999 (18) and CB(151) at 134.352 154.544 84.8174 in (null):D-9999 (19) self-bump: 1.2639 Ang CA(142) at 134.12 158.555 85.868 in (null):M-9999 (18) and CB(143) at 134.53 159.291 84.9261 in (null):M-9999 (18) self-bump: 1.35603 Ang CA(9) at 133.454 142.747 78.983 in (null):F-9999 (2) and CB(10) at 133.212 142.143 77.7933 in (null):F-9999 (2) neighbor-bump: 2.42743 Ang CB(4) at 131.647 145.155 81.2288 in (null):S-9999 (1) and N(8) at 132.492 143.284 79.934 in (null):F-9999 (2) Number of specific fragments= 3 total=204 Number of alignments=91 # Reading fragments from alignment file # T0136 read from 1furA-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1furA read from 1furA-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 6 :L 1furA 33 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 7 :KLAST 1furA 52 :KRAAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 12 :MEGRVEQLAEQRQVIE 1furA 168 :TQTLNEKSRAFADIVK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.9919 Ang CA(68) at 140.994 146.793 58.439 in (null):A-9999 (9) and CD(94) at 143.075 144.709 57.9118 in (null):R-9999 (12) other bump:3.09702 Ang CA(68) at 140.994 146.793 58.439 in (null):A-9999 (9) and CG(93) at 142.427 144.15 59.1812 in (null):R-9999 (12) other bump:3.17063 Ang C(71) at 141.992 147.275 59.491 in (null):A-9999 (9) and CG(93) at 142.427 144.15 59.1812 in (null):R-9999 (12) T0136 28 :AGGGERRVEKQHSQGKQTARERLNNL 1furA 200 :EISGWVAMLEHNLKHIEYSLPHVAEL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:1.53706 Ang O(161) at 109.774 147.884 39.993 in (null):E-9999 (21) and OD1(187) at 110.001 149.297 39.4329 in (null):N-9999 (24) other bump:2.50415 Ang C(162) at 110.488 147.224 40.75 in (null):E-9999 (21) and OD1(187) at 110.001 149.297 39.4329 in (null):N-9999 (24) other bump:3.33997 Ang NE(33) at 134.081 144.377 55.2798 in (null):R-9999 (6) and NZ(72) at 131.546 143.483 53.2971 in (null):K-9999 (10) other bump:2.24149 Ang O(5) at 132.592 141.053 63.076 in (null):A-9999 (1) and OE1(24) at 131.537 143.02 62.867 in (null):E-9999 (5) other bump:2.71588 Ang C(10) at 133.549 143.16 61.048 in (null):G-9999 (2) and OE1(24) at 131.537 143.02 62.867 in (null):E-9999 (5) other bump:2.38817 Ang CA(8) at 133.865 143.432 62.529 in (null):G-9999 (2) and OE1(24) at 131.537 143.02 62.867 in (null):E-9999 (5) T0136 55 :D 1furA 239 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 56 :PHS 1furA 262 :PNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0136 59 :FDEVGAFR 1furA 306 :IGEISIPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.35605 Ang CA(3) at 133.454 142.747 78.983 in (null):F-9999 (1) and CB(4) at 133.212 142.143 77.7932 in (null):F-9999 (1) T0136 67 :KHRTTLFGM 1furA 344 :DVAINMGGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 8 total=212 Number of alignments=92 # Reading fragments from alignment file # T0136 read from 1furA-T0136-local-adpstyle1.pw.a2m.gz # 1furA read from 1furA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHSFDE 1furA 12 :GAIDVPADKLWGAQTQRSLEHFRISTEKMPT Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.85654 Ang CB(203) at 95.8697 159.525 66.2773 in (null):D-9999 (25) and CD(213) at 97.849 161.114 67.5874 in (null):P-9999 (26) neighbor-bump: 1.89139 Ang O(199) at 94.172 160.803 64.561 in (null):L-9999 (24) and CG(204) at 95.69 159.696 64.7816 in (null):D-9999 (25) neighbor-bump: 2.58698 Ang C(200) at 93.396 160.651 65.502 in (null):L-9999 (24) and CG(204) at 95.69 159.696 64.7816 in (null):D-9999 (25) other bump:2.84953 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and NH1(137) at 79.682 169.398 54.636 in (null):R-9999 (17) other bump:2.96079 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and NE(135) at 81.335 168.752 53.157 in (null):R-9999 (17) other bump:2.57561 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CD(134) at 81.726 167.566 53.923 in (null):R-9999 (17) other bump:1.40066 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CG(133) at 82.46 167.909 55.221 in (null):R-9999 (17) other bump:2.36746 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CB(132) at 83.96 167.807 55.057 in (null):R-9999 (17) other bump:3.02076 Ang CZ(21) at 82.4834 170.203 56.5553 in (null):R-9999 (3) and CA(131) at 84.761 168.237 56.288 in (null):R-9999 (17) other bump:2.73321 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CA(131) at 84.761 168.237 56.288 in (null):R-9999 (17) other bump:2.98177 Ang NE(20) at 83.3481 171.022 55.964 in (null):R-9999 (3) and N(130) at 85.735 169.237 55.889 in (null):R-9999 (17) other bump:3.06154 Ang CD(19) at 83.7675 172.314 56.5019 in (null):R-9999 (3) and CB(127) at 86.769 172.214 55.907 in (null):A-9999 (16) other bump:2.30296 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and C(124) at 88.883 169.32 54.894 in (null):T-9999 (15) other bump:2.65942 Ang CD(91) at 90.8624 172.062 54.7302 in (null):Q-9999 (11) and CG2(121) at 91.756 169.617 54.186 in (null):T-9999 (15) other bump:1.73114 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and CG2(121) at 91.756 169.617 54.186 in (null):T-9999 (15) other bump:2.8068 Ang CG(90) at 91.0039 172.535 53.2823 in (null):Q-9999 (11) and CB(120) at 90.657 169.753 53.142 in (null):T-9999 (15) other bump:2.80995 Ang CD(91) at 90.8624 172.062 54.7302 in (null):Q-9999 (11) and CB(120) at 90.657 169.753 53.142 in (null):T-9999 (15) other bump:2.03359 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and CB(120) at 90.657 169.753 53.142 in (null):T-9999 (15) other bump:2.64619 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and CA(119) at 89.416 168.898 53.517 in (null):T-9999 (15) other bump:2.82716 Ang OE1(49) at 92.2937 178.115 60.9788 in (null):E-9999 (6) and CE1(77) at 94.1986 177.923 58.8987 in (null):H-9999 (9) Number of specific fragments= 1 total=213 Number of alignments=93 # Reading fragments from alignment file # T0136 read from 1furA-T0136-local-adpstyle5.pw.a2m.gz # 1furA read from 1furA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 21 :EQRQVIEAGGGERRVEKQHSQGKQT 1furA 411 :ALNTHIGYDKAAEIAKKAHKEGLTL Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68811 Ang NE2(143) at 144.21 128.059 82.263 in (null):Q-9999 (18) and CG2(196) at 145.814 127.933 80.1094 in (null):T-9999 (25) other bump:2.29554 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and CA(194) at 147.408 128.296 81.905 in (null):T-9999 (25) other bump:2.90124 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and CA(194) at 147.408 128.296 81.905 in (null):T-9999 (25) other bump:1.13874 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and N(193) at 146.832 129.447 82.593 in (null):T-9999 (25) other bump:2.22957 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and N(193) at 146.832 129.447 82.593 in (null):T-9999 (25) other bump:1.45002 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and C(192) at 146.986 129.631 83.9 in (null):Q-9999 (24) other bump:3.04553 Ang CG(140) at 144.409 128.197 84.6598 in (null):Q-9999 (18) and C(192) at 146.986 129.631 83.9 in (null):Q-9999 (24) other bump:2.42264 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and C(192) at 146.986 129.631 83.9 in (null):Q-9999 (24) other bump:2.08816 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and CA(185) at 146.337 130.874 84.504 in (null):Q-9999 (24) other bump:2.9492 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and CA(185) at 146.337 130.874 84.504 in (null):Q-9999 (24) other bump:2.74724 Ang CG(140) at 144.409 128.197 84.6598 in (null):Q-9999 (18) and C(183) at 145.289 130.019 86.518 in (null):K-9999 (23) other bump:1.85087 Ang CG(140) at 144.409 128.197 84.6598 in (null):Q-9999 (18) and O(182) at 144.326 129.58 85.887 in (null):K-9999 (23) other bump:1.85646 Ang CE(133) at 148.685 123.547 90.106 in (null):K-9999 (17) and NZ(181) at 149.018 125.303 90.606 in (null):K-9999 (23) other bump:2.43929 Ang NZ(134) at 150.021 123.08 90.571 in (null):K-9999 (17) and NZ(181) at 149.018 125.303 90.606 in (null):K-9999 (23) other bump:3.13014 Ang CE(133) at 148.685 123.547 90.106 in (null):K-9999 (17) and CE(180) at 148.169 126.535 90.8841 in (null):K-9999 (23) other bump:2.13037 Ang CA(129) at 144.44 122.601 87.562 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:1.89854 Ang C(136) at 144.24 124.111 87.546 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:2.70956 Ang CB(130) at 145.933 122.275 87.685 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:1.39224 Ang O(135) at 143.896 124.704 88.568 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:3.17442 Ang CA(129) at 144.44 122.601 87.562 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) other bump:3.128 Ang C(136) at 144.24 124.111 87.546 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) other bump:2.74684 Ang CG(131) at 146.632 123.095 88.77 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) other bump:2.45561 Ang O(135) at 143.896 124.704 88.568 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) Number of specific fragments= 1 total=214 Number of alignments=94 # Reading fragments from alignment file # T0136 read from 1furA-T0136-vit-adpstyle1.pw.a2m.gz # 1furA read from 1furA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHSFDE 1furA 12 :GAIDVPADKLWGAQTQRSLEHFRISTEKMPT Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.85654 Ang CB(203) at 95.8697 159.525 66.2773 in (null):D-9999 (25) and CD(213) at 97.849 161.114 67.5874 in (null):P-9999 (26) neighbor-bump: 1.89139 Ang O(199) at 94.172 160.803 64.561 in (null):L-9999 (24) and CG(204) at 95.69 159.696 64.7816 in (null):D-9999 (25) neighbor-bump: 2.58698 Ang C(200) at 93.396 160.651 65.502 in (null):L-9999 (24) and CG(204) at 95.69 159.696 64.7816 in (null):D-9999 (25) other bump:2.84953 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and NH1(137) at 79.682 169.398 54.636 in (null):R-9999 (17) other bump:2.96079 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and NE(135) at 81.335 168.752 53.157 in (null):R-9999 (17) other bump:2.57561 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CD(134) at 81.726 167.566 53.923 in (null):R-9999 (17) other bump:1.40066 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CG(133) at 82.46 167.909 55.221 in (null):R-9999 (17) other bump:2.36746 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CB(132) at 83.96 167.807 55.057 in (null):R-9999 (17) other bump:3.02076 Ang CZ(21) at 82.4834 170.203 56.5553 in (null):R-9999 (3) and CA(131) at 84.761 168.237 56.288 in (null):R-9999 (17) other bump:2.73321 Ang NH2(23) at 82.1688 169.048 55.9825 in (null):R-9999 (3) and CA(131) at 84.761 168.237 56.288 in (null):R-9999 (17) other bump:2.98177 Ang NE(20) at 83.3481 171.022 55.964 in (null):R-9999 (3) and N(130) at 85.735 169.237 55.889 in (null):R-9999 (17) other bump:3.06154 Ang CD(19) at 83.7675 172.314 56.5019 in (null):R-9999 (3) and CB(127) at 86.769 172.214 55.907 in (null):A-9999 (16) other bump:2.30296 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and C(124) at 88.883 169.32 54.894 in (null):T-9999 (15) other bump:2.65942 Ang CD(91) at 90.8624 172.062 54.7302 in (null):Q-9999 (11) and CG2(121) at 91.756 169.617 54.186 in (null):T-9999 (15) other bump:1.73114 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and CG2(121) at 91.756 169.617 54.186 in (null):T-9999 (15) other bump:2.8068 Ang CG(90) at 91.0039 172.535 53.2823 in (null):Q-9999 (11) and CB(120) at 90.657 169.753 53.142 in (null):T-9999 (15) other bump:2.80995 Ang CD(91) at 90.8624 172.062 54.7302 in (null):Q-9999 (11) and CB(120) at 90.657 169.753 53.142 in (null):T-9999 (15) other bump:2.03359 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and CB(120) at 90.657 169.753 53.142 in (null):T-9999 (15) other bump:2.64619 Ang NE2(93) at 90.6775 170.763 54.9067 in (null):Q-9999 (11) and CA(119) at 89.416 168.898 53.517 in (null):T-9999 (15) other bump:2.82716 Ang OE1(49) at 92.2937 178.115 60.9788 in (null):E-9999 (6) and CE1(77) at 94.1986 177.923 58.8987 in (null):H-9999 (9) Number of specific fragments= 1 total=215 Number of alignments=95 # Reading fragments from alignment file # T0136 read from 1furA-T0136-vit-adpstyle5.pw.a2m.gz # 1furA read from 1furA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 21 :EQRQVIEAGGGERRVEKQHSQGKQT 1furA 411 :ALNTHIGYDKAAEIAKKAHKEGLTL Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.68811 Ang NE2(143) at 144.21 128.059 82.263 in (null):Q-9999 (18) and CG2(196) at 145.814 127.933 80.1094 in (null):T-9999 (25) other bump:2.29554 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and CA(194) at 147.408 128.296 81.905 in (null):T-9999 (25) other bump:2.90124 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and CA(194) at 147.408 128.296 81.905 in (null):T-9999 (25) other bump:1.13874 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and N(193) at 146.832 129.447 82.593 in (null):T-9999 (25) other bump:2.22957 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and N(193) at 146.832 129.447 82.593 in (null):T-9999 (25) other bump:1.45002 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and C(192) at 146.986 129.631 83.9 in (null):Q-9999 (24) other bump:3.04553 Ang CG(140) at 144.409 128.197 84.6598 in (null):Q-9999 (18) and C(192) at 146.986 129.631 83.9 in (null):Q-9999 (24) other bump:2.42264 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and C(192) at 146.986 129.631 83.9 in (null):Q-9999 (24) other bump:2.08816 Ang OE1(142) at 145.804 129.441 83.0823 in (null):Q-9999 (18) and CA(185) at 146.337 130.874 84.504 in (null):Q-9999 (24) other bump:2.9492 Ang CD(141) at 144.87 128.632 83.2707 in (null):Q-9999 (18) and CA(185) at 146.337 130.874 84.504 in (null):Q-9999 (24) other bump:2.74724 Ang CG(140) at 144.409 128.197 84.6598 in (null):Q-9999 (18) and C(183) at 145.289 130.019 86.518 in (null):K-9999 (23) other bump:1.85087 Ang CG(140) at 144.409 128.197 84.6598 in (null):Q-9999 (18) and O(182) at 144.326 129.58 85.887 in (null):K-9999 (23) other bump:1.85646 Ang CE(133) at 148.685 123.547 90.106 in (null):K-9999 (17) and NZ(181) at 149.018 125.303 90.606 in (null):K-9999 (23) other bump:2.43929 Ang NZ(134) at 150.021 123.08 90.571 in (null):K-9999 (17) and NZ(181) at 149.018 125.303 90.606 in (null):K-9999 (23) other bump:3.13014 Ang CE(133) at 148.685 123.547 90.106 in (null):K-9999 (17) and CE(180) at 148.169 126.535 90.8841 in (null):K-9999 (23) other bump:2.13037 Ang CA(129) at 144.44 122.601 87.562 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:1.89854 Ang C(136) at 144.24 124.111 87.546 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:2.70956 Ang CB(130) at 145.933 122.275 87.685 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:1.39224 Ang O(135) at 143.896 124.704 88.568 in (null):K-9999 (17) and OE1(167) at 144.375 123.689 89.3922 in (null):Q-9999 (21) other bump:3.17442 Ang CA(129) at 144.44 122.601 87.562 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) other bump:3.128 Ang C(136) at 144.24 124.111 87.546 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) other bump:2.74684 Ang CG(131) at 146.632 123.095 88.77 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) other bump:2.45561 Ang O(135) at 143.896 124.704 88.568 in (null):K-9999 (17) and CD(166) at 144.623 123.523 90.5942 in (null):Q-9999 (21) Number of specific fragments= 1 total=216 Number of alignments=96 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 2 :ENNNLKLASTM 1furA 23 :GAQTQRSLEHF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLL 1furA 379 :GMESFNKHCAVGIEPNRERINQLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues T0136 60 :DEVGAFRKHRTTLFGMDKA 1furA 403 :NESLMLVTALNTHIGYDKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.3742 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CG(143) at 150.307 114.461 79.496 in (null):K-9999 (18) other bump:2.40915 Ang CD2(114) at 151.271 117.42 77.9904 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:1.62416 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:2.54548 Ang CZ(117) at 152.416 115.608 79.1052 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:3.00053 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CA(141) at 148.468 116.194 79.725 in (null):K-9999 (18) other bump:2.74458 Ang CA(27) at 141.848 128.357 79.259 in (null):G-9999 (4) and NH2(54) at 141.658 126.227 80.9796 in (null):R-9999 (7) other bump:2.22896 Ang O(0) at 143.905 134.23 76.896 in (null):G-9999 (0) and CE1(41) at 144.702 133.391 74.9906 in (null):F-9999 (6) other bump:2.96709 Ang C(1) at 143.983 135.449 77.004 in (null):G-9999 (0) and CE1(41) at 144.702 133.391 74.9906 in (null):F-9999 (6) Number of specific fragments= 4 total=220 Number of alignments=97 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 4 :NNLKLASTM 1furA 43 :SLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLLD 1furA 379 :GMESFNKHCAVGIEPNRERINQLLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues T0136 61 :EVGAFRKHRTTLFGMDK 1furA 404 :ESLMLVTALNTHIGYDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.3742 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CG(135) at 150.307 114.461 79.496 in (null):K-9999 (17) other bump:2.40915 Ang CD2(106) at 151.271 117.42 77.9904 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:1.62416 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:2.54548 Ang CZ(109) at 152.416 115.608 79.1052 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:3.00053 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CA(133) at 148.468 116.194 79.725 in (null):K-9999 (17) other bump:2.74458 Ang CA(19) at 141.848 128.357 79.259 in (null):G-9999 (3) and NH2(46) at 141.658 126.227 80.9796 in (null):R-9999 (6) Number of specific fragments= 4 total=224 Number of alignments=98 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1furA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:0.796205 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.92454 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.83592 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.85112 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.82604 Ang CG(14) at 107.952 155.593 61.6794 in (null):R-9999 (2) and OE2(52) at 109.828 153.71 62.6403 in (null):E-9999 (6) Number of specific fragments= 1 total=225 Number of alignments=99 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 15 :RVEQLAEQRQ 1furA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLD 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) T0136 61 :EVGAFRKHRTTLFG 1furA 404 :ESLMLVTALNTHIG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.74458 Ang CA(19) at 141.848 128.357 79.259 in (null):G-9999 (3) and NH2(46) at 141.658 126.227 80.9796 in (null):R-9999 (6) Number of specific fragments= 3 total=228 Number of alignments=100 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 2 :ENNNLKLASTM 1furA 23 :GAQTQRSLEHF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPH 1furA 379 :GMESFNKHCAVGIEPNRERINQLLNES Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.21686 Ang C(192) at 141.748 137.129 78.09 in (null):L-9999 (23) and CE1(222) at 138.968 135.559 77.698 in (null):H-9999 (27) other bump:2.03016 Ang O(191) at 141.564 135.981 78.495 in (null):L-9999 (23) and ND1(221) at 140.073 134.844 77.7165 in (null):H-9999 (27) other bump:2.85751 Ang C(192) at 141.748 137.129 78.09 in (null):L-9999 (23) and ND1(221) at 140.073 134.844 77.7165 in (null):H-9999 (27) T0136 58 :SFDEVGAFRKHRT 1furA 446 :SEAEFDSWVRPEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.1743 Ang O(81) at 148.98 131.529 68.481 in (null):K-9999 (10) and OG1(108) at 149.774 130.704 66.6326 in (null):T-9999 (13) other bump:2.2043 Ang O(50) at 155.73 128.854 70.367 in (null):A-9999 (7) and CE(79) at 155.681 130.918 69.5942 in (null):K-9999 (10) other bump:2.79841 Ang C(51) at 155.817 128.963 71.592 in (null):A-9999 (7) and CE(79) at 155.681 130.918 69.5942 in (null):K-9999 (10) Number of specific fragments= 4 total=232 Number of alignments=101 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 3 :NNNLKLASTM 1furA 42 :TSLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPH 1furA 379 :GMESFNKHCAVGIEPNRERINQLLNES Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.21686 Ang C(192) at 141.748 137.129 78.09 in (null):L-9999 (23) and CE1(222) at 138.968 135.559 77.698 in (null):H-9999 (27) other bump:2.03016 Ang O(191) at 141.564 135.981 78.495 in (null):L-9999 (23) and ND1(221) at 140.073 134.844 77.7165 in (null):H-9999 (27) other bump:2.85751 Ang C(192) at 141.748 137.129 78.09 in (null):L-9999 (23) and ND1(221) at 140.073 134.844 77.7165 in (null):H-9999 (27) T0136 58 :SFDEVGAFRKHRT 1furA 446 :SEAEFDSWVRPEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.1743 Ang O(81) at 148.98 131.529 68.481 in (null):K-9999 (10) and OG1(108) at 149.774 130.704 66.6326 in (null):T-9999 (13) other bump:2.2043 Ang O(50) at 155.73 128.854 70.367 in (null):A-9999 (7) and CE(79) at 155.681 130.918 69.5942 in (null):K-9999 (10) other bump:2.79841 Ang C(51) at 155.817 128.963 71.592 in (null):A-9999 (7) and CE(79) at 155.681 130.918 69.5942 in (null):K-9999 (10) Number of specific fragments= 4 total=236 Number of alignments=102 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 15 :RVEQLAEQRQVIEAG 1furA 365 :VIHNFLQSVRLLADG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0136 32 :ERRVEKQHSQGKQTARERLNNLL 1furA 380 :MESFNKHCAVGIEPNRERINQLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues Number of specific fragments= 2 total=238 Number of alignments=103 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 14 :GRVEQLAEQRQVIE 1furA 364 :MVIHNFLQSVRLLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0136 30 :GGERRVEKQHSQGKQTARERLNNLLDPHSFD 1furA 378 :DGMESFNKHCAVGIEPNRERINQLLNESLML Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42509 Ang NE2(227) at 138.126 130.528 76.4038 in (null):H-9999 (28) and CZ(244) at 135.962 129.559 75.8945 in (null):F-9999 (30) other bump:2.89223 Ang NE2(227) at 138.126 130.528 76.4038 in (null):H-9999 (28) and CE2(243) at 136.483 128.512 75.1386 in (null):F-9999 (30) other bump:2.18556 Ang CD2(224) at 138.569 131.702 76.9542 in (null):H-9999 (28) and CE1(242) at 136.801 130.58 76.3287 in (null):F-9999 (30) other bump:2.48226 Ang CE1(226) at 139.099 129.643 76.3677 in (null):H-9999 (28) and CE1(242) at 136.801 130.58 76.3287 in (null):F-9999 (30) other bump:1.3284 Ang NE2(227) at 138.126 130.528 76.4038 in (null):H-9999 (28) and CE1(242) at 136.801 130.58 76.3287 in (null):F-9999 (30) other bump:2.29951 Ang CE1(226) at 139.099 129.643 76.3677 in (null):H-9999 (28) and CD2(241) at 137.843 128.495 74.8217 in (null):F-9999 (30) other bump:2.59162 Ang NE2(227) at 138.126 130.528 76.4038 in (null):H-9999 (28) and CD2(241) at 137.843 128.495 74.8217 in (null):F-9999 (30) other bump:1.54587 Ang CD2(224) at 138.569 131.702 76.9542 in (null):H-9999 (28) and CD1(240) at 138.158 130.552 76.0063 in (null):F-9999 (30) other bump:1.35721 Ang CE1(226) at 139.099 129.643 76.3677 in (null):H-9999 (28) and CD1(240) at 138.158 130.552 76.0063 in (null):F-9999 (30) other bump:0.399484 Ang NE2(227) at 138.126 130.528 76.4038 in (null):H-9999 (28) and CD1(240) at 138.158 130.552 76.0063 in (null):F-9999 (30) other bump:2.3199 Ang CG(223) at 139.895 131.485 77.228 in (null):H-9999 (28) and CD1(240) at 138.158 130.552 76.0063 in (null):F-9999 (30) other bump:2.24632 Ang ND1(225) at 140.207 130.201 76.8564 in (null):H-9999 (28) and CD1(240) at 138.158 130.552 76.0063 in (null):F-9999 (30) other bump:2.77619 Ang CD2(224) at 138.569 131.702 76.9542 in (null):H-9999 (28) and CG(239) at 138.69 129.511 75.2525 in (null):F-9999 (30) other bump:1.19538 Ang CE1(226) at 139.099 129.643 76.3677 in (null):H-9999 (28) and CG(239) at 138.69 129.511 75.2525 in (null):F-9999 (30) other bump:1.63587 Ang NE2(227) at 138.126 130.528 76.4038 in (null):H-9999 (28) and CG(239) at 138.69 129.511 75.2525 in (null):F-9999 (30) other bump:3.04151 Ang CG(223) at 139.895 131.485 77.228 in (null):H-9999 (28) and CG(239) at 138.69 129.511 75.2525 in (null):F-9999 (30) other bump:2.31327 Ang ND1(225) at 140.207 130.201 76.8564 in (null):H-9999 (28) and CG(239) at 138.69 129.511 75.2525 in (null):F-9999 (30) other bump:1.8095 Ang CE1(226) at 139.099 129.643 76.3677 in (null):H-9999 (28) and CB(238) at 140.152 129.487 74.9042 in (null):F-9999 (30) other bump:2.72711 Ang NE2(227) at 138.126 130.528 76.4038 in (null):H-9999 (28) and CB(238) at 140.152 129.487 74.9042 in (null):F-9999 (30) other bump:2.07952 Ang ND1(225) at 140.207 130.201 76.8564 in (null):H-9999 (28) and CB(238) at 140.152 129.487 74.9042 in (null):F-9999 (30) other bump:2.4934 Ang CE1(226) at 139.099 129.643 76.3677 in (null):H-9999 (28) and CA(237) at 140.963 128.212 75.534 in (null):F-9999 (30) other bump:2.50501 Ang ND1(225) at 140.207 130.201 76.8564 in (null):H-9999 (28) and CA(237) at 140.963 128.212 75.534 in (null):F-9999 (30) other bump:2.3582 Ang CE1(226) at 139.099 129.643 76.3677 in (null):H-9999 (28) and N(236) at 141.134 128.597 76.939 in (null):F-9999 (30) other bump:3.15549 Ang CG(223) at 139.895 131.485 77.228 in (null):H-9999 (28) and N(236) at 141.134 128.597 76.939 in (null):F-9999 (30) other bump:1.85409 Ang ND1(225) at 140.207 130.201 76.8564 in (null):H-9999 (28) and N(236) at 141.134 128.597 76.939 in (null):F-9999 (30) neighbor-bump: 2.77026 Ang ND1(225) at 140.207 130.201 76.8564 in (null):H-9999 (28) and N(230) at 141.263 129.689 79.366 in (null):S-9999 (29) Number of specific fragments= 2 total=240 Number of alignments=104 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 2 :ENNNLKLASTM 1furA 23 :GAQTQRSLEHF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLL 1furA 379 :GMESFNKHCAVGIEPNRERINQLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues T0136 60 :DEVGAFRKHRTTLFGMDKA 1furA 403 :NESLMLVTALNTHIGYDKA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.3742 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CG(143) at 150.307 114.461 79.496 in (null):K-9999 (18) other bump:2.40915 Ang CD2(114) at 151.271 117.42 77.9904 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:1.62416 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:2.54548 Ang CZ(117) at 152.416 115.608 79.1052 in (null):F-9999 (14) and CB(142) at 149.892 115.902 79.254 in (null):K-9999 (18) other bump:3.00053 Ang CE2(116) at 151.375 116.537 79.0645 in (null):F-9999 (14) and CA(141) at 148.468 116.194 79.725 in (null):K-9999 (18) other bump:2.74458 Ang CA(27) at 141.848 128.357 79.259 in (null):G-9999 (4) and NH2(54) at 141.658 126.227 80.9796 in (null):R-9999 (7) other bump:2.22896 Ang O(0) at 143.905 134.23 76.896 in (null):G-9999 (0) and CE1(41) at 144.702 133.391 74.9906 in (null):F-9999 (6) other bump:2.96709 Ang C(1) at 143.983 135.449 77.004 in (null):G-9999 (0) and CE1(41) at 144.702 133.391 74.9906 in (null):F-9999 (6) Number of specific fragments= 4 total=244 Number of alignments=105 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 4 :NNLKLASTM 1furA 43 :SLIHALALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 13 :EGRVEQLAEQRQVIEAGG 1furA 67 :EEKASAIRQAADEVLAGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0136 31 :GERRVEKQHSQGKQTARERLNNLLD 1furA 379 :GMESFNKHCAVGIEPNRERINQLLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues T0136 61 :EVGAFRKHRTTLFGMDK 1furA 404 :ESLMLVTALNTHIGYDK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.3742 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CG(135) at 150.307 114.461 79.496 in (null):K-9999 (17) other bump:2.40915 Ang CD2(106) at 151.271 117.42 77.9904 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:1.62416 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:2.54548 Ang CZ(109) at 152.416 115.608 79.1052 in (null):F-9999 (13) and CB(134) at 149.892 115.902 79.254 in (null):K-9999 (17) other bump:3.00053 Ang CE2(108) at 151.375 116.537 79.0645 in (null):F-9999 (13) and CA(133) at 148.468 116.194 79.725 in (null):K-9999 (17) other bump:2.74458 Ang CA(19) at 141.848 128.357 79.259 in (null):G-9999 (3) and NH2(46) at 141.658 126.227 80.9796 in (null):R-9999 (6) Number of specific fragments= 4 total=248 Number of alignments=106 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 22 :QRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1furA 370 :LQSVRLLADGMESFNKHCAVGIEPNRERINQLL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:0.796205 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.92454 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and OE1(77) at 119.611 153.648 59.0797 in (null):E-9999 (11) other bump:1.83592 Ang O(58) at 118.92 153.922 59.364 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.85112 Ang C(59) at 117.734 154.071 59.066 in (null):A-9999 (7) and CD(76) at 120.122 152.535 59.3247 in (null):E-9999 (11) other bump:2.82604 Ang CG(14) at 107.952 155.593 61.6794 in (null):R-9999 (2) and OE2(52) at 109.828 153.71 62.6403 in (null):E-9999 (6) Number of specific fragments= 1 total=249 Number of alignments=107 # Reading fragments from alignment file # T0136 read from T0136-1furA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 15 :RVEQLAEQRQ 1furA 365 :VIHNFLQSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLD 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) T0136 61 :EVGAFRKHRTTLFGM 1furA 404 :ESLMLVTALNTHIGY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.74458 Ang CA(19) at 141.848 128.357 79.259 in (null):G-9999 (3) and NH2(46) at 141.658 126.227 80.9796 in (null):R-9999 (6) Number of specific fragments= 3 total=252 Number of alignments=108 # Reading fragments from alignment file # T0136 read from T0136-1furA-local-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-local-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDP 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) Number of specific fragments= 1 total=253 Number of alignments=109 # Reading fragments from alignment file # T0136 read from T0136-1furA-local-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-local-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 25 :VIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1furA 373 :VRLLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.4934 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.50501 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.3582 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:3.15549 Ang CG(256) at 139.895 131.485 77.228 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:1.85409 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) neighbor-bump: 2.77026 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(263) at 141.263 129.689 79.366 in (null):S-9999 (34) other bump:1.92454 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:0.796205 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:2.85112 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) other bump:1.83592 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) T0136 64 :AFRKHRTT 1furA 407 :MLVTALNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=255 Number of alignments=110 # Reading fragments from alignment file # T0136 read from T0136-1furA-simpleSW-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLD 1furA 379 :GMESFNKHCAVGIEPNRERINQLLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues Number of specific fragments= 1 total=256 Number of alignments=111 # Reading fragments from alignment file # T0136 read from T0136-1furA-simpleSW-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 28 :AGGGERRVEKQHSQGKQTARERLNNLLDPH 1furA 376 :LADGMESFNKHCAVGIEPNRERINQLLNES Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.21686 Ang C(205) at 141.748 137.129 78.09 in (null):L-9999 (26) and CE1(235) at 138.968 135.559 77.698 in (null):H-9999 (30) other bump:2.03016 Ang O(204) at 141.564 135.981 78.495 in (null):L-9999 (26) and ND1(234) at 140.073 134.844 77.7165 in (null):H-9999 (30) other bump:2.85751 Ang C(205) at 141.748 137.129 78.09 in (null):L-9999 (26) and ND1(234) at 140.073 134.844 77.7165 in (null):H-9999 (30) other bump:0.796205 Ang O(5) at 118.92 153.922 59.364 in (null):A-9999 (1) and OE1(24) at 119.611 153.648 59.0797 in (null):E-9999 (5) other bump:1.92454 Ang C(6) at 117.734 154.071 59.066 in (null):A-9999 (1) and OE1(24) at 119.611 153.648 59.0797 in (null):E-9999 (5) other bump:1.83592 Ang O(5) at 118.92 153.922 59.364 in (null):A-9999 (1) and CD(23) at 120.122 152.535 59.3247 in (null):E-9999 (5) other bump:2.85112 Ang C(6) at 117.734 154.071 59.066 in (null):A-9999 (1) and CD(23) at 120.122 152.535 59.3247 in (null):E-9999 (5) T0136 59 :FDEVGAFR 1furA 406 :LMLVTALN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0136 71 :TLFGMDKA 1furA 414 :THIGYDKA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.3742 Ang CE2(24) at 151.375 116.537 79.0645 in (null):F-9999 (3) and CG(51) at 150.307 114.461 79.496 in (null):K-9999 (7) other bump:2.54548 Ang CZ(25) at 152.416 115.608 79.1052 in (null):F-9999 (3) and CB(50) at 149.892 115.902 79.254 in (null):K-9999 (7) other bump:2.40915 Ang CD2(22) at 151.271 117.42 77.9904 in (null):F-9999 (3) and CB(50) at 149.892 115.902 79.254 in (null):K-9999 (7) other bump:1.62416 Ang CE2(24) at 151.375 116.537 79.0645 in (null):F-9999 (3) and CB(50) at 149.892 115.902 79.254 in (null):K-9999 (7) other bump:3.00053 Ang CE2(24) at 151.375 116.537 79.0645 in (null):F-9999 (3) and CA(49) at 148.468 116.194 79.725 in (null):K-9999 (7) Number of specific fragments= 3 total=259 Number of alignments=112 # Reading fragments from alignment file # T0136 read from T0136-1furA-vit-adpstyle1.pw.a2m.gz # 1furA read from T0136-1furA-vit-adpstyle1.pw.a2m.gz # found chain 1furA in template set T0136 27 :EAGGGERRVEKQHSQGKQTARERLNNLLDP 1furA 375 :LLADGMESFNKHCAVGIEPNRERINQLLNE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:1.92454 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:0.796205 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and OE1(33) at 119.611 153.648 59.0797 in (null):E-9999 (6) other bump:2.85112 Ang C(15) at 117.734 154.071 59.066 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) other bump:1.83592 Ang O(14) at 118.92 153.922 59.364 in (null):A-9999 (2) and CD(32) at 120.122 152.535 59.3247 in (null):E-9999 (6) Number of specific fragments= 1 total=260 Number of alignments=113 # Reading fragments from alignment file # T0136 read from T0136-1furA-vit-adpstyle5.pw.a2m.gz # 1furA read from T0136-1furA-vit-adpstyle5.pw.a2m.gz # found chain 1furA in template set T0136 25 :VIEAGGGERRVEKQHSQGKQTARERLNNLLDPHS 1furA 373 :VRLLADGMESFNKHCAVGIEPNRERINQLLNESL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.4934 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.50501 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and CA(270) at 140.963 128.212 75.534 in (null):G-9999 (35) other bump:2.3582 Ang CE1(259) at 139.099 129.643 76.3677 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:3.15549 Ang CG(256) at 139.895 131.485 77.228 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) other bump:1.85409 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(269) at 141.134 128.597 76.939 in (null):G-9999 (35) neighbor-bump: 2.77026 Ang ND1(258) at 140.207 130.201 76.8564 in (null):H-9999 (33) and N(263) at 141.263 129.689 79.366 in (null):S-9999 (34) other bump:1.92454 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:0.796205 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and OE1(48) at 119.611 153.648 59.0797 in (null):E-9999 (8) other bump:2.85112 Ang C(30) at 117.734 154.071 59.066 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) other bump:1.83592 Ang O(29) at 118.92 153.922 59.364 in (null):A-9999 (4) and CD(47) at 120.122 152.535 59.3247 in (null):E-9999 (8) T0136 64 :AFRKHRTT 1furA 407 :MLVTALNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 2 total=262 Number of alignments=114 # command:# Prefix for input files set to 1bpoA/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from 1bpoA-T0136-fssp-global-adpstyle1.pw.a2m.gz # 1bpoA read from 1bpoA-T0136-fssp-global-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AENNNLKLAS 1bpoA 1 :MAQILPIRFQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64521 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:3.19915 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.80055 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:3.04873 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.98988 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:1.86548 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:2.00257 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.90996 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) T0136 13 :EGRVE 1bpoA 23 :ANIGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 18 :QLAEQRQV 1bpoA 49 :QVVIIDMN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.97699 Ang CD(46) at 44.5499 92.71 6.15774 in (null):R-9999 (6) and CG1(65) at 47.5189 92.6854 5.94026 in (null):V-9999 (8) T0136 28 :AGGGERRVEKQHSQ 1bpoA 57 :DPSNPIRRPISADS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.14818 Ang ND1(89) at 30.4866 104.139 8.87201 in (null):H-9999 (12) and CA(110) at 33.476 104.588 9.751 in (null):G-9999 (15) other bump:2.57751 Ang CE1(90) at 31.5693 103.916 8.15234 in (null):H-9999 (12) and CA(110) at 33.476 104.588 9.751 in (null):G-9999 (15) other bump:2.77907 Ang CE1(90) at 31.5693 103.916 8.15234 in (null):H-9999 (12) and N(109) at 32.959 105.932 9.466 in (null):G-9999 (15) other bump:2.63478 Ang ND1(89) at 30.4866 104.139 8.87201 in (null):H-9999 (12) and C(108) at 31.714 106.278 9.799 in (null):Q-9999 (14) other bump:2.88336 Ang CE1(90) at 31.5693 103.916 8.15234 in (null):H-9999 (12) and C(108) at 31.714 106.278 9.799 in (null):Q-9999 (14) other bump:2.02797 Ang ND1(89) at 30.4866 104.139 8.87201 in (null):H-9999 (12) and O(107) at 30.924 105.496 10.314 in (null):Q-9999 (14) self-bump: 1.23007 Ang CA(58) at 27.441 98.272 1.418 in (null):E-9999 (9) and CB(59) at 26.835 98.9978 0.631149 in (null):E-9999 (9) T0136 43 :KQTAR 1bpoA 136 :SQPVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0136 48 :ERLNNLLDPHSFDEVGAFRKHRTTLFGMDKA 1bpoA 142 :FDRHSSLAGCQIINYRTDAKQKWLLLTGISA Fragment has 58 clashes (null) has 58 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.14164 Ang N(77) at 34.566 125.15 17.426 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:1.59369 Ang CA(78) at 35.809 124.804 16.756 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:0.664477 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:2.77981 Ang C(86) at 35.566 123.576 15.921 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:1.28128 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:2.5817 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:1.98814 Ang ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) and CE(231) at 36.5622 124.892 18.1577 in (null):M-9999 (28) other bump:3.22029 Ang CA(78) at 35.809 124.804 16.756 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.99095 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.59844 Ang CA(55) at 37.035 125.158 21.962 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.62788 Ang O(60) at 35.068 124.223 20.952 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.00716 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.60619 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:1.54163 Ang ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.18054 Ang CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.20843 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.79446 Ang CB(56) at 37.388 123.712 22.3 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:3.11655 Ang CG(57) at 38.812 123.205 22.079 in (null):L-9999 (7) and SD(230) at 37.2927 124.218 19.5534 in (null):M-9999 (28) other bump:2.49181 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and CG(229) at 38.9063 123.716 18.8578 in (null):M-9999 (28) other bump:2.12852 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and CG(229) at 38.9063 123.716 18.8578 in (null):M-9999 (28) other bump:1.8156 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and CG(229) at 38.9063 123.716 18.8578 in (null):M-9999 (28) other bump:2.84674 Ang CB(79) at 36.9871 124.764 17.6633 in (null):H-9999 (10) and CB(228) at 38.7674 122.553 17.8842 in (null):M-9999 (28) other bump:2.51591 Ang CG(80) at 36.7805 123.801 18.793 in (null):H-9999 (10) and CB(228) at 38.7674 122.553 17.8842 in (null):M-9999 (28) other bump:1.82591 Ang CD2(81) at 37.4462 122.674 19.1388 in (null):H-9999 (10) and CB(228) at 38.7674 122.553 17.8842 in (null):M-9999 (28) other bump:2.40638 Ang CG(96) at 35.8143 119.08 17.9812 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:1.09339 Ang CD1(97) at 36.4895 119.344 19.166 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:1.57066 Ang CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:2.90785 Ang CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) and CZ(219) at 37.0643 119.016 20.0365 in (null):F-9999 (26) other bump:2.16981 Ang CD1(97) at 36.4895 119.344 19.166 in (null):F-9999 (12) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:1.77027 Ang CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:3.09623 Ang CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:2.42775 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:2.4321 Ang CD2(59) at 38.814 121.673 22.047 in (null):L-9999 (7) and CE2(218) at 37.4432 119.947 21.0195 in (null):F-9999 (26) other bump:2.15296 Ang CD1(97) at 36.4895 119.344 19.166 in (null):F-9999 (12) and CE1(217) at 37.6534 117.746 20.0188 in (null):F-9999 (26) other bump:2.89968 Ang CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) and CE1(217) at 37.6534 117.746 20.0188 in (null):F-9999 (26) other bump:2.10084 Ang CD2(59) at 38.814 121.673 22.047 in (null):L-9999 (7) and CD2(216) at 38.4147 119.612 21.9762 in (null):F-9999 (26) other bump:3.17722 Ang CE2(144) at 52.2963 108.262 29.8756 in (null):F-9999 (18) and CD(163) at 51.724 105.918 31.943 in (null):K-9999 (20) other bump:2.87409 Ang CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) and CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) other bump:2.87334 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and CZ(101) at 34.5455 120.469 20.0619 in (null):F-9999 (12) other bump:2.97188 Ang CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) and CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) other bump:2.35858 Ang NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) and CE1(99) at 35.8754 120.029 20.2016 in (null):F-9999 (12) other bump:2.60064 Ang CB(56) at 37.388 123.712 22.3 in (null):L-9999 (7) and NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) other bump:2.69831 Ang CD2(59) at 38.814 121.673 22.047 in (null):L-9999 (7) and NE2(84) at 36.846 122.178 20.2713 in (null):H-9999 (10) other bump:2.83207 Ang CA(55) at 37.035 125.158 21.962 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:1.51196 Ang O(60) at 35.068 124.223 20.952 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:2.41677 Ang C(61) at 35.58 125.192 21.528 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:2.40546 Ang CB(56) at 37.388 123.712 22.3 in (null):L-9999 (7) and CE1(83) at 35.8461 122.973 20.6081 in (null):H-9999 (10) other bump:2.82381 Ang CA(55) at 37.035 125.158 21.962 in (null):L-9999 (7) and ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) other bump:1.43841 Ang O(60) at 35.068 124.223 20.952 in (null):L-9999 (7) and ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) other bump:2.18717 Ang C(61) at 35.58 125.192 21.528 in (null):L-9999 (7) and ND1(82) at 35.7833 123.96 19.732 in (null):H-9999 (10) self-bump: 2.19278 Ang CA(71) at 32.485 126.355 17.769 in (null):P-9999 (9) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.53973 Ang CG(65) at 31.4489 127.858 21.958 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.14865 Ang OD1(66) at 30.8363 127.171 21.1102 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 1.84165 Ang O(68) at 34.11 127.806 19.552 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 1.43164 Ang C(69) at 33.435 126.828 19.964 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.75109 Ang CB(64) at 32.9288 127.593 22.2488 in (null):D-9999 (8) and CD(74) at 32.2821 127.582 19.5748 in (null):P-9999 (9) neighbor-bump: 2.2409 Ang OD1(66) at 30.8363 127.171 21.1102 in (null):D-9999 (8) and CG(73) at 30.9412 127.52 18.8991 in (null):P-9999 (9) neighbor-bump: 2.7986 Ang C(69) at 33.435 126.828 19.964 in (null):D-9999 (8) and CG(73) at 30.9412 127.52 18.8991 in (null):P-9999 (9) T0136 79 :VV 1bpoA 298 :IS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 7 total=269 Number of alignments=115 # Reading fragments from alignment file # T0136 read from 1bpoA-T0136-fssp-global-adpstyle5.pw.a2m.gz # 1bpoA read from 1bpoA-T0136-fssp-global-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AENNNLKL 1bpoA 1 :MAQILPIR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.19915 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.64521 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.98988 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:3.04873 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.80055 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:1.90996 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:2.00257 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.86548 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) T0136 9 :ASTM 1bpoA 31 :TMES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 16 :VEQL 1bpoA 50 :VVII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 20 :AEQRQVIEA 1bpoA 135 :ESQPVKMFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0136 29 :GG 1bpoA 150 :GC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0136 31 :G 1bpoA 153 :I Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0136 32 :ERRVEKQHSQGKQTARE 1bpoA 155 :NYRTDAKQKWLLLTGIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0136 49 :RLNNL 1bpoA 182 :QLYSV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.39782 Ang CA(38) at 42.522 112.595 34.418 in (null):L-9999 (5) and CB(39) at 42.464 111.282 33.9434 in (null):L-9999 (5) T0136 54 :LDPH 1bpoA 201 :FAQF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0136 58 :S 1bpoA 222 :G Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues neighbor-bump: 1.87912 Ang O(6) at 51.743 132.104 17.661 in (null):S-9999 (1) and N(8) at 50.619 133.546 17.227 in (null):G-9999 (2) neighbor-bump: 1.15575 Ang C(7) at 50.792 132.445 16.921 in (null):S-9999 (1) and N(8) at 50.619 133.546 17.227 in (null):G-9999 (2) T0136 60 :DEVGAFR 1bpoA 226 :GKLHIIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0136 67 :KHRTTLFGMD 1bpoA 269 :KHDVVFLITK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 12 total=281 Number of alignments=116 # Reading fragments from alignment file # T0136 read from 1bpoA-T0136-local-adpstyle1.pw.a2m.gz # 1bpoA read from 1bpoA-T0136-local-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 30 :GGERRVEKQHSQGKQTARERLNNLLDPHSFD 1bpoA 443 :GRKQLLEKWLKEDKLECSEELGDLVKSVDPT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.80377 Ang OD2(210) at 85.0764 68.5563 33.5294 in (null):D-9999 (26) and CD1(240) at 84.6074 67.0599 35.8536 in (null):F-9999 (30) other bump:2.54111 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and NE2(227) at 89.7544 76.5453 40.8651 in (null):H-9999 (28) other bump:3.02869 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:1.7144 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.50467 Ang N(2) at 89.554 78.794 42.46 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.56212 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:3.16943 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.37692 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.26397 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CG(223) at 87.9472 75.3444 40.5319 in (null):H-9999 (28) self-bump: 1.39809 Ang CA(221) at 87.055 73.229 39.671 in (null):H-9999 (28) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.00947 Ang CD(14) at 84.7776 76.3155 41.4246 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:1.88295 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.11432 Ang C(196) at 87.793 75.537 33.697 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) other bump:2.41023 Ang O(195) at 88.398 75.133 34.649 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) self-bump: 1.38834 Ang CA(214) at 88.755 71.494 36.807 in (null):P-9999 (27) and CB(215) at 89.9011 72.2737 36.7296 in (null):P-9999 (27) other bump:3.02431 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CD(108) at 74.844 88.045 35.598 in (null):K-9999 (14) other bump:3.13326 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CG(107) at 74.598 87.326 34.321 in (null):K-9999 (14) Number of specific fragments= 1 total=282 Number of alignments=117 # Reading fragments from alignment file # T0136 read from 1bpoA-T0136-local-adpstyle5.pw.a2m.gz # 1bpoA read from 1bpoA-T0136-local-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 14 :GRVEQLAEQRQVIEA 1bpoA 428 :NKYESLELCRPVLQQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.67913 Ang CD(68) at 84.0881 80.686 33.7645 in (null):Q-9999 (9) and CD1(105) at 86.3602 79.9835 34.9982 in (null):I-9999 (13) other bump:2.21104 Ang CG(67) at 84.9096 81.6138 34.6421 in (null):Q-9999 (9) and CD1(105) at 86.3602 79.9835 34.9982 in (null):I-9999 (13) other bump:2.85856 Ang CG(67) at 84.9096 81.6138 34.6421 in (null):Q-9999 (9) and CG1(103) at 86.5268 80.1655 36.5017 in (null):I-9999 (13) self-bump: 1.37024 Ang CA(85) at 90.962 84.735 37.43 in (null):Q-9999 (11) and CB(86) at 91.401 85.9484 37.8911 in (null):Q-9999 (11) T0136 30 :GGERRVEKQHSQGKQTARERLNNLLDPHSFD 1bpoA 443 :GRKQLLEKWLKEDKLECSEELGDLVKSVDPT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.80377 Ang OD2(210) at 85.0764 68.5563 33.5294 in (null):D-9999 (26) and CD1(240) at 84.6074 67.0599 35.8536 in (null):F-9999 (30) other bump:2.54111 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and NE2(227) at 89.7544 76.5453 40.8651 in (null):H-9999 (28) other bump:3.02869 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:1.7144 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.50467 Ang N(2) at 89.554 78.794 42.46 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.56212 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:3.16943 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.37692 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.26397 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CG(223) at 87.9472 75.3444 40.5319 in (null):H-9999 (28) self-bump: 1.39809 Ang CA(221) at 87.055 73.229 39.671 in (null):H-9999 (28) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.00947 Ang CD(14) at 84.7776 76.3155 41.4246 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:1.88295 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.11432 Ang C(196) at 87.793 75.537 33.697 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) other bump:2.41023 Ang O(195) at 88.398 75.133 34.649 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) self-bump: 1.38834 Ang CA(214) at 88.755 71.494 36.807 in (null):P-9999 (27) and CB(215) at 89.9011 72.2737 36.7296 in (null):P-9999 (27) other bump:3.02431 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CD(108) at 74.844 88.045 35.598 in (null):K-9999 (14) other bump:3.13326 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CG(107) at 74.598 87.326 34.321 in (null):K-9999 (14) Number of specific fragments= 2 total=284 Number of alignments=118 # Reading fragments from alignment file # T0136 read from 1bpoA-T0136-vit-adpstyle1.pw.a2m.gz # 1bpoA read from 1bpoA-T0136-vit-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 30 :GGERRVEKQHSQGKQTARERLNNLLDPHSFD 1bpoA 443 :GRKQLLEKWLKEDKLECSEELGDLVKSVDPT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.80377 Ang OD2(210) at 85.0764 68.5563 33.5294 in (null):D-9999 (26) and CD1(240) at 84.6074 67.0599 35.8536 in (null):F-9999 (30) other bump:2.54111 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and NE2(227) at 89.7544 76.5453 40.8651 in (null):H-9999 (28) other bump:3.02869 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:1.7144 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.50467 Ang N(2) at 89.554 78.794 42.46 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.56212 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:3.16943 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.37692 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.26397 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CG(223) at 87.9472 75.3444 40.5319 in (null):H-9999 (28) self-bump: 1.39809 Ang CA(221) at 87.055 73.229 39.671 in (null):H-9999 (28) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.00947 Ang CD(14) at 84.7776 76.3155 41.4246 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:1.88295 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.11432 Ang C(196) at 87.793 75.537 33.697 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) other bump:2.41023 Ang O(195) at 88.398 75.133 34.649 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) self-bump: 1.38834 Ang CA(214) at 88.755 71.494 36.807 in (null):P-9999 (27) and CB(215) at 89.9011 72.2737 36.7296 in (null):P-9999 (27) other bump:3.02431 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CD(108) at 74.844 88.045 35.598 in (null):K-9999 (14) other bump:3.13326 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CG(107) at 74.598 87.326 34.321 in (null):K-9999 (14) Number of specific fragments= 1 total=285 Number of alignments=119 # Reading fragments from alignment file # T0136 read from 1bpoA-T0136-vit-adpstyle5.pw.a2m.gz # 1bpoA read from 1bpoA-T0136-vit-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 14 :GRVEQLAEQRQVIEA 1bpoA 428 :NKYESLELCRPVLQQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.67913 Ang CD(68) at 84.0881 80.686 33.7645 in (null):Q-9999 (9) and CD1(105) at 86.3602 79.9835 34.9982 in (null):I-9999 (13) other bump:2.21104 Ang CG(67) at 84.9096 81.6138 34.6421 in (null):Q-9999 (9) and CD1(105) at 86.3602 79.9835 34.9982 in (null):I-9999 (13) other bump:2.85856 Ang CG(67) at 84.9096 81.6138 34.6421 in (null):Q-9999 (9) and CG1(103) at 86.5268 80.1655 36.5017 in (null):I-9999 (13) self-bump: 1.37024 Ang CA(85) at 90.962 84.735 37.43 in (null):Q-9999 (11) and CB(86) at 91.401 85.9484 37.8911 in (null):Q-9999 (11) T0136 30 :GGERRVEKQHSQGKQTARERLNNLLDPHSFD 1bpoA 443 :GRKQLLEKWLKEDKLECSEELGDLVKSVDPT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.80377 Ang OD2(210) at 85.0764 68.5563 33.5294 in (null):D-9999 (26) and CD1(240) at 84.6074 67.0599 35.8536 in (null):F-9999 (30) other bump:2.54111 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and NE2(227) at 89.7544 76.5453 40.8651 in (null):H-9999 (28) other bump:3.02869 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:1.7144 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.50467 Ang N(2) at 89.554 78.794 42.46 in (null):G-9999 (1) and CE1(226) at 89.1882 76.3524 42.0379 in (null):H-9999 (28) other bump:2.56212 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:3.16943 Ang C(5) at 87.288 78.262 43.422 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.37692 Ang CA(3) at 88.541 77.785 42.722 in (null):G-9999 (1) and ND1(225) at 88.0777 75.6172 41.8642 in (null):H-9999 (28) other bump:2.26397 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CG(223) at 87.9472 75.3444 40.5319 in (null):H-9999 (28) self-bump: 1.39809 Ang CA(221) at 87.055 73.229 39.671 in (null):H-9999 (28) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.00947 Ang CD(14) at 84.7776 76.3155 41.4246 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:1.88295 Ang OE2(16) at 85.7841 75.9659 40.7769 in (null):E-9999 (3) and CB(222) at 86.7606 74.5553 40.0011 in (null):H-9999 (28) other bump:3.11432 Ang C(196) at 87.793 75.537 33.697 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) other bump:2.41023 Ang O(195) at 88.398 75.133 34.649 in (null):L-9999 (24) and CD(217) at 88.6203 72.7366 34.7798 in (null):P-9999 (27) self-bump: 1.38834 Ang CA(214) at 88.755 71.494 36.807 in (null):P-9999 (27) and CB(215) at 89.9011 72.2737 36.7296 in (null):P-9999 (27) other bump:3.02431 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CD(108) at 74.844 88.045 35.598 in (null):K-9999 (14) other bump:3.13326 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CG(107) at 74.598 87.326 34.321 in (null):K-9999 (14) Number of specific fragments= 2 total=287 Number of alignments=120 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLVKSVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.02869 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and CE1(222) at 89.1882 76.3524 42.0379 in (null):H-9999 (27) other bump:2.56212 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:3.16943 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:2.26397 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CG(219) at 87.9472 75.3444 40.5319 in (null):H-9999 (27) other bump:3.00947 Ang CD(10) at 84.7776 76.3155 41.4246 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:1.88295 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) self-bump: 1.39809 Ang CA(217) at 87.055 73.229 39.671 in (null):H-9999 (27) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:3.11432 Ang C(192) at 87.793 75.537 33.697 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) other bump:2.41023 Ang O(191) at 88.398 75.133 34.649 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) self-bump: 1.38834 Ang CA(210) at 88.755 71.494 36.807 in (null):P-9999 (26) and CB(211) at 89.9011 72.2737 36.7296 in (null):P-9999 (26) other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 2 total=289 Number of alignments=121 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AENNNL 1bpoA 1 :MAQILP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.19915 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.64521 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.98988 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:3.04873 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.80055 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:1.90996 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:2.00257 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.86548 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) T0136 31 :GERRVEKQHSQGKQTARERLNNLL 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 55 :DP 1bpoA 471 :DP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 2.66219 Ang OD1(6) at 80.989 70.94 40.104 in (null):D-9999 (1) and CD(14) at 82.83 69.163 39.369 in (null):P-9999 (2) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 4 total=293 Number of alignments=122 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 431 :ESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.57718 Ang OE2(83) at 85.3878 79.6887 34.5664 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.91585 Ang CD(81) at 86.4898 79.4202 35.0947 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.65689 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CD2(287) at 89.052 79.899 32.741 in (null):L-9999 (36) other bump:2.68421 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CB(284) at 88.297 77.525 32.346 in (null):L-9999 (36) other bump:2.41231 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.87161 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.46022 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.18383 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.619 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.38375 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.5706 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.86396 Ang CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.43866 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.55944 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:0.344623 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.99912 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.83376 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:1.77199 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.23086 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.66136 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.3808 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:3.14882 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and C(221) at 79.033 82.239 27.155 in (null):T-9999 (28) other bump:2.51727 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE2(212) at 80.4874 86.4798 32.6953 in (null):Q-9999 (27) other bump:1.63339 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:0.435765 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.75718 Ang CA(12) at 83.142 85.744 29.893 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.34496 Ang CB(13) at 82.0406 84.7951 29.378 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.79507 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:1.35441 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:2.2115 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CG(209) at 79.1927 84.4366 32.7415 in (null):Q-9999 (27) other bump:2.90526 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:2.50706 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:3.02431 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CD(201) at 74.844 88.045 35.598 in (null):K-9999 (26) other bump:3.13326 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CG(200) at 74.598 87.326 34.321 in (null):K-9999 (26) other bump:2.94432 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and NE(128) at 82.732 87.9522 40.2662 in (null):R-9999 (17) other bump:2.64218 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and CD(127) at 82.9511 86.6456 40.8791 in (null):R-9999 (17) other bump:2.7612 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) other bump:2.86498 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) other bump:2.1717 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.58518 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.91556 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) Number of specific fragments= 1 total=294 Number of alignments=123 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 17 :EQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 430 :YESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.57718 Ang OE2(92) at 85.3878 79.6887 34.5664 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.91585 Ang CD(90) at 86.4898 79.4202 35.0947 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.65689 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CD2(296) at 89.052 79.899 32.741 in (null):L-9999 (37) other bump:2.68421 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CB(293) at 88.297 77.525 32.346 in (null):L-9999 (37) other bump:2.41232 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.87162 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.46022 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.18383 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.619 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.38375 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.5706 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.86396 Ang CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.43866 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.55944 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:0.344623 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.99912 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.83376 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:1.77199 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.23086 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.66136 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.3808 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:1.65086 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:1.35182 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:2.19186 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:0.404315 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.23981 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:2.35586 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.61781 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:1.47205 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.15122 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.87991 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.76345 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NE(241) at 84.8748 82.4613 24.3943 in (null):R-9999 (31) other bump:3.14883 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and C(230) at 79.033 82.239 27.155 in (null):T-9999 (29) other bump:2.51724 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE2(221) at 80.4874 86.4798 32.6953 in (null):Q-9999 (28) other bump:1.63337 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:0.435744 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.75718 Ang CA(21) at 83.142 85.744 29.893 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.34495 Ang CB(22) at 82.0406 84.7951 29.378 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.79505 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:1.35439 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:2.2115 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CG(218) at 79.1927 84.4366 32.7415 in (null):Q-9999 (28) other bump:2.90524 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:2.50708 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:3.02431 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CD(210) at 74.844 88.045 35.598 in (null):K-9999 (27) other bump:3.13326 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CG(209) at 74.598 87.326 34.321 in (null):K-9999 (27) other bump:2.94432 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and NE(137) at 82.732 87.9522 40.2662 in (null):R-9999 (18) other bump:2.64218 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and CD(136) at 82.9511 86.6456 40.8791 in (null):R-9999 (18) other bump:2.76121 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) other bump:2.86499 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) other bump:2.1717 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.58519 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.91557 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) Number of specific fragments= 1 total=295 Number of alignments=124 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLVKSVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.02869 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and CE1(222) at 89.1882 76.3524 42.0379 in (null):H-9999 (27) other bump:2.56212 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:3.16943 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:2.26397 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CG(219) at 87.9472 75.3444 40.5319 in (null):H-9999 (27) other bump:3.00947 Ang CD(10) at 84.7776 76.3155 41.4246 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:1.88295 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) self-bump: 1.39809 Ang CA(217) at 87.055 73.229 39.671 in (null):H-9999 (27) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:3.11432 Ang C(192) at 87.793 75.537 33.697 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) other bump:2.41023 Ang O(191) at 88.398 75.133 34.649 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) self-bump: 1.38834 Ang CA(210) at 88.755 71.494 36.807 in (null):P-9999 (26) and CB(211) at 89.9011 72.2737 36.7296 in (null):P-9999 (26) other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 2 total=297 Number of alignments=125 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AEN 1bpoA 1 :MAQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues self-bump: 1.38362 Ang CA(15) at 75.686 115.719 1.659 in (null):N-9999 (2) and CB(16) at 77.0064 115.744 2.07169 in (null):N-9999 (2) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLVKSVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.02869 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and CE1(222) at 89.1882 76.3524 42.0379 in (null):H-9999 (27) other bump:2.56212 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:3.16943 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:2.26397 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CG(219) at 87.9472 75.3444 40.5319 in (null):H-9999 (27) other bump:3.00947 Ang CD(10) at 84.7776 76.3155 41.4246 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:1.88295 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) self-bump: 1.39809 Ang CA(217) at 87.055 73.229 39.671 in (null):H-9999 (27) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:3.11432 Ang C(192) at 87.793 75.537 33.697 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) other bump:2.41023 Ang O(191) at 88.398 75.133 34.649 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) self-bump: 1.38834 Ang CA(210) at 88.755 71.494 36.807 in (null):P-9999 (26) and CB(211) at 89.9011 72.2737 36.7296 in (null):P-9999 (26) other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 3 total=300 Number of alignments=126 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 431 :ESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.57718 Ang OE2(83) at 85.3878 79.6887 34.5664 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.91585 Ang CD(81) at 86.4898 79.4202 35.0947 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.65689 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CD2(287) at 89.052 79.899 32.741 in (null):L-9999 (36) other bump:2.68421 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CB(284) at 88.297 77.525 32.346 in (null):L-9999 (36) other bump:2.41231 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.87161 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.46022 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.18383 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.619 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.38375 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.5706 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.86396 Ang CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.43866 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.55944 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:0.344623 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.99912 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.83376 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:1.77199 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.23086 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.66136 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.3808 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:3.14882 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and C(221) at 79.033 82.239 27.155 in (null):T-9999 (28) other bump:2.51727 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE2(212) at 80.4874 86.4798 32.6953 in (null):Q-9999 (27) other bump:1.63339 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:0.435765 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.75718 Ang CA(12) at 83.142 85.744 29.893 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.34496 Ang CB(13) at 82.0406 84.7951 29.378 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.79507 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:1.35441 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:2.2115 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CG(209) at 79.1927 84.4366 32.7415 in (null):Q-9999 (27) other bump:2.90526 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:2.50706 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:3.02431 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CD(201) at 74.844 88.045 35.598 in (null):K-9999 (26) other bump:3.13326 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CG(200) at 74.598 87.326 34.321 in (null):K-9999 (26) other bump:2.94432 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and NE(128) at 82.732 87.9522 40.2662 in (null):R-9999 (17) other bump:2.64218 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and CD(127) at 82.9511 86.6456 40.8791 in (null):R-9999 (17) other bump:2.7612 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) other bump:2.86498 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) other bump:2.1717 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.58518 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.91556 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) Number of specific fragments= 1 total=301 Number of alignments=127 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 17 :EQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 430 :YESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.57718 Ang OE2(92) at 85.3878 79.6887 34.5664 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.91585 Ang CD(90) at 86.4898 79.4202 35.0947 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.65689 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CD2(296) at 89.052 79.899 32.741 in (null):L-9999 (37) other bump:2.68421 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CB(293) at 88.297 77.525 32.346 in (null):L-9999 (37) other bump:2.41232 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.87162 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.46022 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.18383 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.619 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.38375 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.5706 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.86396 Ang CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.43866 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.55944 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:0.344623 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.99912 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.83376 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:1.77199 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.23086 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.66136 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.3808 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:1.65086 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:1.35182 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:2.19186 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:0.404315 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.23981 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:2.35586 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.61781 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:1.47205 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.15122 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.87991 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.76345 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NE(241) at 84.8748 82.4613 24.3943 in (null):R-9999 (31) other bump:3.14883 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and C(230) at 79.033 82.239 27.155 in (null):T-9999 (29) other bump:2.51724 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE2(221) at 80.4874 86.4798 32.6953 in (null):Q-9999 (28) other bump:1.63337 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:0.435744 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.75718 Ang CA(21) at 83.142 85.744 29.893 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.34495 Ang CB(22) at 82.0406 84.7951 29.378 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.79505 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:1.35439 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:2.2115 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CG(218) at 79.1927 84.4366 32.7415 in (null):Q-9999 (28) other bump:2.90524 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:2.50708 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:3.02431 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CD(210) at 74.844 88.045 35.598 in (null):K-9999 (27) other bump:3.13326 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CG(209) at 74.598 87.326 34.321 in (null):K-9999 (27) other bump:2.94432 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and NE(137) at 82.732 87.9522 40.2662 in (null):R-9999 (18) other bump:2.64218 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and CD(136) at 82.9511 86.6456 40.8791 in (null):R-9999 (18) other bump:2.76121 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) other bump:2.86499 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) other bump:2.1717 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.58519 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.91557 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) Number of specific fragments= 1 total=302 Number of alignments=128 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLVKSVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.02869 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and CE1(222) at 89.1882 76.3524 42.0379 in (null):H-9999 (27) other bump:2.56212 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:3.16943 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:2.26397 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CG(219) at 87.9472 75.3444 40.5319 in (null):H-9999 (27) other bump:3.00947 Ang CD(10) at 84.7776 76.3155 41.4246 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:1.88295 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) self-bump: 1.39809 Ang CA(217) at 87.055 73.229 39.671 in (null):H-9999 (27) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:3.11432 Ang C(192) at 87.793 75.537 33.697 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) other bump:2.41023 Ang O(191) at 88.398 75.133 34.649 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) self-bump: 1.38834 Ang CA(210) at 88.755 71.494 36.807 in (null):P-9999 (26) and CB(211) at 89.9011 72.2737 36.7296 in (null):P-9999 (26) other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 2 total=304 Number of alignments=129 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 1 :AENNN 1bpoA 1 :MAQIL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:3.19915 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:2.64521 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and CA(31) at 69.844 112.009 2.983 in (null):N-9999 (4) other bump:3.04873 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.80055 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.98988 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and C(29) at 72.088 112.916 3.123 in (null):N-9999 (3) other bump:2.00257 Ang CD(9) at 70.0622 115.193 3.20647 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.86548 Ang OE2(11) at 69.9335 114.382 4.14937 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) other bump:1.90996 Ang CG(8) at 71.4332 115.83 2.98748 in (null):E-9999 (1) and O(28) at 71.646 114.006 3.512 in (null):N-9999 (3) T0136 31 :GERRVEKQHSQGKQTARERLNNLLDPHS 1bpoA 444 :RKQLLEKWLKEDKLECSEELGDLVKSVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.02869 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and CE1(222) at 89.1882 76.3524 42.0379 in (null):H-9999 (27) other bump:2.56212 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:3.16943 Ang C(1) at 87.288 78.262 43.422 in (null):G-9999 (0) and ND1(221) at 88.0777 75.6172 41.8642 in (null):H-9999 (27) other bump:2.26397 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CG(219) at 87.9472 75.3444 40.5319 in (null):H-9999 (27) other bump:3.00947 Ang CD(10) at 84.7776 76.3155 41.4246 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:1.88295 Ang OE2(12) at 85.7841 75.9659 40.7769 in (null):E-9999 (2) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) self-bump: 1.39809 Ang CA(217) at 87.055 73.229 39.671 in (null):H-9999 (27) and CB(218) at 86.7606 74.5553 40.0011 in (null):H-9999 (27) other bump:3.11432 Ang C(192) at 87.793 75.537 33.697 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) other bump:2.41023 Ang O(191) at 88.398 75.133 34.649 in (null):L-9999 (23) and CD(213) at 88.6203 72.7366 34.7798 in (null):P-9999 (26) self-bump: 1.38834 Ang CA(210) at 88.755 71.494 36.807 in (null):P-9999 (26) and CB(211) at 89.9011 72.2737 36.7296 in (null):P-9999 (26) other bump:3.02431 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CD(104) at 74.844 88.045 35.598 in (null):K-9999 (13) other bump:3.13326 Ang CB(89) at 72.8185 86.0041 36.5353 in (null):Q-9999 (11) and CG(103) at 74.598 87.326 34.321 in (null):K-9999 (13) T0136 59 :FDEVGAFRKHRTTL 1bpoA 473 :TLALSVYLRANVPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 3 total=307 Number of alignments=130 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 431 :ESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.57718 Ang OE2(83) at 85.3878 79.6887 34.5664 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.91585 Ang CD(81) at 86.4898 79.4202 35.0947 in (null):E-9999 (10) and CD2(295) at 84.2018 77.745 35.7734 in (null):L-9999 (37) other bump:2.65689 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CD2(287) at 89.052 79.899 32.741 in (null):L-9999 (36) other bump:2.68421 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CB(284) at 88.297 77.525 32.346 in (null):L-9999 (36) other bump:2.41231 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.87161 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.46022 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.18383 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.619 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.38375 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.5706 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.86396 Ang CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.43866 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.55944 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:0.344623 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.99912 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.83376 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:1.77199 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.23086 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.66136 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.3808 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:3.14882 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and C(221) at 79.033 82.239 27.155 in (null):T-9999 (28) other bump:2.51727 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE2(212) at 80.4874 86.4798 32.6953 in (null):Q-9999 (27) other bump:1.63339 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:0.435765 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.75718 Ang CA(12) at 83.142 85.744 29.893 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.34496 Ang CB(13) at 82.0406 84.7951 29.378 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.79507 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:1.35441 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:2.2115 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CG(209) at 79.1927 84.4366 32.7415 in (null):Q-9999 (27) other bump:2.90526 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:2.50706 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:3.02431 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CD(201) at 74.844 88.045 35.598 in (null):K-9999 (26) other bump:3.13326 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CG(200) at 74.598 87.326 34.321 in (null):K-9999 (26) other bump:2.94432 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and NE(128) at 82.732 87.9522 40.2662 in (null):R-9999 (17) other bump:2.64218 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and CD(127) at 82.9511 86.6456 40.8791 in (null):R-9999 (17) other bump:2.7612 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) other bump:2.86498 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) other bump:2.1717 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.58518 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.91556 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) Number of specific fragments= 1 total=308 Number of alignments=131 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 17 :EQLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 430 :YESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.57718 Ang OE2(92) at 85.3878 79.6887 34.5664 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.91585 Ang CD(90) at 86.4898 79.4202 35.0947 in (null):E-9999 (11) and CD2(304) at 84.2018 77.745 35.7734 in (null):L-9999 (38) other bump:2.65689 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CD2(296) at 89.052 79.899 32.741 in (null):L-9999 (37) other bump:2.68421 Ang OE1(91) at 87.4343 78.8046 34.5422 in (null):E-9999 (11) and CB(293) at 88.297 77.525 32.346 in (null):L-9999 (37) other bump:2.41232 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.87162 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.46022 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.18383 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:1.619 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.38375 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD2(272) at 82.198 80.852 30.311 in (null):L-9999 (34) other bump:2.5706 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.86396 Ang CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:2.43866 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.55944 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:0.344623 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CD1(271) at 84.238 80.369 31.647 in (null):L-9999 (34) other bump:1.99912 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.83376 Ang NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:1.77199 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CG(270) at 83.28 79.814 30.597 in (null):L-9999 (34) other bump:2.23086 Ang NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.66136 Ang CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:2.3808 Ang NH1(58) at 84.3073 80.5873 31.3895 in (null):R-9999 (7) and CB(269) at 84.048 79.461 29.308 in (null):L-9999 (34) other bump:1.65086 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:1.35182 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:2.19186 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and NH2(244) at 84.758 84.768 23.9988 in (null):R-9999 (31) other bump:0.404315 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.23981 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:2.35586 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and NH1(243) at 84.2645 83.9328 26.0871 in (null):R-9999 (31) other bump:1.61781 Ang O(0) at 84.301 84.262 26.319 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:1.47205 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.15122 Ang N(2) at 84.42 85.853 24.731 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.87991 Ang CA(3) at 85.747 86.348 25.152 in (null):E-9999 (1) and CZ(242) at 84.627 83.7141 24.8321 in (null):R-9999 (31) other bump:2.76345 Ang C(1) at 83.817 84.827 25.354 in (null):G-9999 (0) and NE(241) at 84.8748 82.4613 24.3943 in (null):R-9999 (31) other bump:3.14883 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and C(230) at 79.033 82.239 27.155 in (null):T-9999 (29) other bump:2.51724 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE2(221) at 80.4874 86.4798 32.6953 in (null):Q-9999 (28) other bump:1.63337 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:0.435744 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.75718 Ang CA(21) at 83.142 85.744 29.893 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.34495 Ang CB(22) at 82.0406 84.7951 29.378 in (null):L-9999 (3) and OE1(220) at 81.2318 84.6859 31.5764 in (null):Q-9999 (28) other bump:2.79505 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:1.35439 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(219) at 80.4035 85.2231 32.3124 in (null):Q-9999 (28) other bump:2.2115 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CG(218) at 79.1927 84.4366 32.7415 in (null):Q-9999 (28) other bump:2.90524 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:2.50708 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CB(217) at 78.6712 83.7302 31.4729 in (null):Q-9999 (28) other bump:3.02431 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CD(210) at 74.844 88.045 35.598 in (null):K-9999 (27) other bump:3.13326 Ang CB(195) at 72.8185 86.0041 36.5353 in (null):Q-9999 (25) and CG(209) at 74.598 87.326 34.321 in (null):K-9999 (27) other bump:2.94432 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and NE(137) at 82.732 87.9522 40.2662 in (null):R-9999 (18) other bump:2.64218 Ang CD1(83) at 85.0468 86.4191 39.286 in (null):I-9999 (10) and CD(136) at 82.9511 86.6456 40.8791 in (null):R-9999 (18) other bump:2.76121 Ang CD2(25) at 80.7679 82.709 29.7404 in (null):L-9999 (3) and NH2(59) at 83.2596 81.531 29.5732 in (null):R-9999 (7) other bump:2.86499 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and CZ(57) at 83.5439 81.5417 30.8889 in (null):R-9999 (7) other bump:2.1717 Ang CG(23) at 81.7067 83.6804 30.38 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.58519 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and NE(56) at 82.9002 82.4078 31.6732 in (null):R-9999 (7) other bump:2.91557 Ang CD1(24) at 81.1117 84.2744 31.6545 in (null):L-9999 (3) and CD(55) at 82.8046 82.3846 33.0909 in (null):R-9999 (7) Number of specific fragments= 1 total=309 Number of alignments=132 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-local-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-local-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 21 :EQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 434 :ELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.57718 Ang OE2(61) at 85.3878 79.6887 34.5664 in (null):E-9999 (7) and CD2(273) at 84.2018 77.745 35.7734 in (null):L-9999 (34) other bump:2.91585 Ang CD(59) at 86.4898 79.4202 35.0947 in (null):E-9999 (7) and CD2(273) at 84.2018 77.745 35.7734 in (null):L-9999 (34) other bump:2.65689 Ang OE1(60) at 87.4343 78.8046 34.5422 in (null):E-9999 (7) and CD2(265) at 89.052 79.899 32.741 in (null):L-9999 (33) other bump:2.68421 Ang OE1(60) at 87.4343 78.8046 34.5422 in (null):E-9999 (7) and CB(262) at 88.297 77.525 32.346 in (null):L-9999 (33) other bump:1.46022 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:1.619 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:2.38375 Ang NH1(27) at 84.3073 80.5873 31.3895 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:2.18383 Ang NE(25) at 82.9002 82.4078 31.6732 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:2.5706 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:1.55944 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:0.344623 Ang NH1(27) at 84.3073 80.5873 31.3895 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:2.86396 Ang CD(24) at 82.8046 82.3846 33.0909 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:2.43866 Ang NE(25) at 82.9002 82.4078 31.6732 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:1.99912 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CG(239) at 83.28 79.814 30.597 in (null):L-9999 (30) other bump:1.77199 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CG(239) at 83.28 79.814 30.597 in (null):L-9999 (30) other bump:2.83376 Ang NE(25) at 82.9002 82.4078 31.6732 in (null):R-9999 (3) and CG(239) at 83.28 79.814 30.597 in (null):L-9999 (30) other bump:2.23086 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CB(238) at 84.048 79.461 29.308 in (null):L-9999 (30) other bump:2.66136 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CB(238) at 84.048 79.461 29.308 in (null):L-9999 (30) other bump:2.3808 Ang NH1(27) at 84.3073 80.5873 31.3895 in (null):R-9999 (3) and CB(238) at 84.048 79.461 29.308 in (null):L-9999 (30) other bump:3.02431 Ang CB(164) at 72.8185 86.0041 36.5353 in (null):Q-9999 (21) and CD(179) at 74.844 88.045 35.598 in (null):K-9999 (23) other bump:3.13326 Ang CB(164) at 72.8185 86.0041 36.5353 in (null):Q-9999 (21) and CG(178) at 74.598 87.326 34.321 in (null):K-9999 (23) other bump:2.94432 Ang CD1(52) at 85.0468 86.4191 39.286 in (null):I-9999 (6) and NE(106) at 82.732 87.9522 40.2662 in (null):R-9999 (14) other bump:2.64218 Ang CD1(52) at 85.0468 86.4191 39.286 in (null):I-9999 (6) and CD(105) at 82.9511 86.6456 40.8791 in (null):R-9999 (14) Number of specific fragments= 1 total=310 Number of alignments=133 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-local-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-local-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNL 1bpoA 431 :ESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDL Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.65689 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CD2(287) at 89.052 79.899 32.741 in (null):L-9999 (36) other bump:2.68421 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CB(284) at 88.297 77.525 32.346 in (null):L-9999 (36) other bump:2.41231 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.87161 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.46022 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.18383 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.619 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.38375 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.5706 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.86396 Ang CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.43866 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.55944 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:0.344623 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.99912 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.83376 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:1.77199 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.23086 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.66136 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.3808 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:3.14882 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and C(221) at 79.033 82.239 27.155 in (null):T-9999 (28) other bump:2.51727 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE2(212) at 80.4874 86.4798 32.6953 in (null):Q-9999 (27) other bump:1.63339 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:0.435765 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.75718 Ang CA(12) at 83.142 85.744 29.893 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.34496 Ang CB(13) at 82.0406 84.7951 29.378 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.79507 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:1.35441 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:2.2115 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CG(209) at 79.1927 84.4366 32.7415 in (null):Q-9999 (27) other bump:2.90526 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:2.50706 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:3.02431 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CD(201) at 74.844 88.045 35.598 in (null):K-9999 (26) other bump:3.13326 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CG(200) at 74.598 87.326 34.321 in (null):K-9999 (26) other bump:2.94432 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and NE(128) at 82.732 87.9522 40.2662 in (null):R-9999 (17) other bump:2.64218 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and CD(127) at 82.9511 86.6456 40.8791 in (null):R-9999 (17) other bump:2.7612 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) other bump:2.86498 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) other bump:2.1717 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.58518 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.91556 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) Number of specific fragments= 1 total=311 Number of alignments=134 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-simpleSW-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 30 :GGERRVEKQHSQGKQTARERLNNLL 1bpoA 443 :GRKQLLEKWLKEDKLECSEELGDLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.02431 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CD(108) at 74.844 88.045 35.598 in (null):K-9999 (14) other bump:3.13326 Ang CB(93) at 72.8185 86.0041 36.5353 in (null):Q-9999 (12) and CG(107) at 74.598 87.326 34.321 in (null):K-9999 (14) Number of specific fragments= 1 total=312 Number of alignments=135 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-simpleSW-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set Number of specific fragments= 0 total=312 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-vit-adpstyle1.pw.a2m.gz # 1bpoA read from T0136-1bpoA-vit-adpstyle1.pw.a2m.gz # found chain 1bpoA in template set T0136 21 :EQRQVIEAGGGERRVEKQHSQGKQTARERLNNLL 1bpoA 434 :ELCRPVLQQGRKQLLEKWLKEDKLECSEELGDLV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.57718 Ang OE2(61) at 85.3878 79.6887 34.5664 in (null):E-9999 (7) and CD2(273) at 84.2018 77.745 35.7734 in (null):L-9999 (34) other bump:2.91585 Ang CD(59) at 86.4898 79.4202 35.0947 in (null):E-9999 (7) and CD2(273) at 84.2018 77.745 35.7734 in (null):L-9999 (34) other bump:2.65689 Ang OE1(60) at 87.4343 78.8046 34.5422 in (null):E-9999 (7) and CD2(265) at 89.052 79.899 32.741 in (null):L-9999 (33) other bump:2.68421 Ang OE1(60) at 87.4343 78.8046 34.5422 in (null):E-9999 (7) and CB(262) at 88.297 77.525 32.346 in (null):L-9999 (33) other bump:1.46022 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:1.619 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:2.38375 Ang NH1(27) at 84.3073 80.5873 31.3895 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:2.18383 Ang NE(25) at 82.9002 82.4078 31.6732 in (null):R-9999 (3) and CD2(241) at 82.198 80.852 30.311 in (null):L-9999 (30) other bump:2.5706 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:1.55944 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:0.344623 Ang NH1(27) at 84.3073 80.5873 31.3895 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:2.86396 Ang CD(24) at 82.8046 82.3846 33.0909 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:2.43866 Ang NE(25) at 82.9002 82.4078 31.6732 in (null):R-9999 (3) and CD1(240) at 84.238 80.369 31.647 in (null):L-9999 (30) other bump:1.99912 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CG(239) at 83.28 79.814 30.597 in (null):L-9999 (30) other bump:1.77199 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CG(239) at 83.28 79.814 30.597 in (null):L-9999 (30) other bump:2.83376 Ang NE(25) at 82.9002 82.4078 31.6732 in (null):R-9999 (3) and CG(239) at 83.28 79.814 30.597 in (null):L-9999 (30) other bump:2.23086 Ang NH2(28) at 83.2596 81.531 29.5732 in (null):R-9999 (3) and CB(238) at 84.048 79.461 29.308 in (null):L-9999 (30) other bump:2.66136 Ang CZ(26) at 83.5439 81.5417 30.8889 in (null):R-9999 (3) and CB(238) at 84.048 79.461 29.308 in (null):L-9999 (30) other bump:2.3808 Ang NH1(27) at 84.3073 80.5873 31.3895 in (null):R-9999 (3) and CB(238) at 84.048 79.461 29.308 in (null):L-9999 (30) other bump:3.02431 Ang CB(164) at 72.8185 86.0041 36.5353 in (null):Q-9999 (21) and CD(179) at 74.844 88.045 35.598 in (null):K-9999 (23) other bump:3.13326 Ang CB(164) at 72.8185 86.0041 36.5353 in (null):Q-9999 (21) and CG(178) at 74.598 87.326 34.321 in (null):K-9999 (23) other bump:2.94432 Ang CD1(52) at 85.0468 86.4191 39.286 in (null):I-9999 (6) and NE(106) at 82.732 87.9522 40.2662 in (null):R-9999 (14) other bump:2.64218 Ang CD1(52) at 85.0468 86.4191 39.286 in (null):I-9999 (6) and CD(105) at 82.9511 86.6456 40.8791 in (null):R-9999 (14) Number of specific fragments= 1 total=313 Number of alignments=136 # Reading fragments from alignment file # T0136 read from T0136-1bpoA-vit-adpstyle5.pw.a2m.gz # 1bpoA read from T0136-1bpoA-vit-adpstyle5.pw.a2m.gz # found chain 1bpoA in template set T0136 18 :QLAEQRQVIEAGGGERRVEKQHSQGKQTARERLNNL 1bpoA 431 :ESLELCRPVLQQGRKQLLEKWLKEDKLECSEELGDL Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.65689 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CD2(287) at 89.052 79.899 32.741 in (null):L-9999 (36) other bump:2.68421 Ang OE1(82) at 87.4343 78.8046 34.5422 in (null):E-9999 (10) and CB(284) at 88.297 77.525 32.346 in (null):L-9999 (36) other bump:2.41231 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.87161 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.46022 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.18383 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:1.619 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.38375 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD2(263) at 82.198 80.852 30.311 in (null):L-9999 (33) other bump:2.5706 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.86396 Ang CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:2.43866 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.55944 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:0.344623 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CD1(262) at 84.238 80.369 31.647 in (null):L-9999 (33) other bump:1.99912 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.83376 Ang NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:1.77199 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CG(261) at 83.28 79.814 30.597 in (null):L-9999 (33) other bump:2.23086 Ang NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.66136 Ang CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:2.3808 Ang NH1(49) at 84.3073 80.5873 31.3895 in (null):R-9999 (6) and CB(260) at 84.048 79.461 29.308 in (null):L-9999 (33) other bump:3.14882 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and C(221) at 79.033 82.239 27.155 in (null):T-9999 (28) other bump:2.51727 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE2(212) at 80.4874 86.4798 32.6953 in (null):Q-9999 (27) other bump:1.63339 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:0.435765 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.75718 Ang CA(12) at 83.142 85.744 29.893 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.34496 Ang CB(13) at 82.0406 84.7951 29.378 in (null):L-9999 (2) and OE1(211) at 81.2318 84.6859 31.5764 in (null):Q-9999 (27) other bump:2.79507 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:1.35441 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(210) at 80.4035 85.2231 32.3124 in (null):Q-9999 (27) other bump:2.2115 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CG(209) at 79.1927 84.4366 32.7415 in (null):Q-9999 (27) other bump:2.90526 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:2.50706 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CB(208) at 78.6712 83.7302 31.4729 in (null):Q-9999 (27) other bump:3.02431 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CD(201) at 74.844 88.045 35.598 in (null):K-9999 (26) other bump:3.13326 Ang CB(186) at 72.8185 86.0041 36.5353 in (null):Q-9999 (24) and CG(200) at 74.598 87.326 34.321 in (null):K-9999 (26) other bump:2.94432 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and NE(128) at 82.732 87.9522 40.2662 in (null):R-9999 (17) other bump:2.64218 Ang CD1(74) at 85.0468 86.4191 39.286 in (null):I-9999 (9) and CD(127) at 82.9511 86.6456 40.8791 in (null):R-9999 (17) other bump:2.7612 Ang CD2(16) at 80.7679 82.709 29.7404 in (null):L-9999 (2) and NH2(50) at 83.2596 81.531 29.5732 in (null):R-9999 (6) other bump:2.86498 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and CZ(48) at 83.5439 81.5417 30.8889 in (null):R-9999 (6) other bump:2.1717 Ang CG(14) at 81.7067 83.6804 30.38 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.58518 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and NE(47) at 82.9002 82.4078 31.6732 in (null):R-9999 (6) other bump:2.91556 Ang CD1(15) at 81.1117 84.2744 31.6545 in (null):L-9999 (2) and CD(46) at 82.8046 82.3846 33.0909 in (null):R-9999 (6) Number of specific fragments= 1 total=314 Number of alignments=137 # command:# Prefix for input files set to 1a5lC/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-1a5lC-local-adpstyle1.pw.a2m.gz # 1a5lC read from T0136-1a5lC-local-adpstyle1.pw.a2m.gz # found chain 1a5lC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1a5lC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.75467 Ang OE1(98) at 47.8423 87.3663 107.382 in (null):Q-9999 (13) and CB(112) at 47.716 84.619 107.225 in (null):A-9999 (15) other bump:2.95884 Ang CD(88) at 43.7712 90.9724 101.03 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) other bump:2.38148 Ang OE1(89) at 44.5859 90.5865 100.165 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) self-bump: 2.12671 Ang CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) and C(18) at 65.649 102.342 102.537 in (null):K-9999 (2) self-bump: 1.22781 Ang CA(11) at 65.395 101.137 101.625 in (null):K-9999 (2) and CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1a5lC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.54862 Ang NE(18) at 50.5345 75.341 108.435 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.57794 Ang C(23) at 54.848 72.977 108.99 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.63533 Ang CB(15) at 54.0327 75.1645 109.872 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:1.94398 Ang CG(16) at 52.521 75.039 109.84 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.29527 Ang CD(17) at 51.8981 75.8287 108.697 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.21696 Ang O(22) at 54.079 72.02 108.899 in (null):R-9999 (2) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:2.65018 Ang C(23) at 54.848 72.977 108.99 in (null):R-9999 (2) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:3.02974 Ang N(24) at 55.693 73.309 108.018 in (null):V-9999 (3) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:3.04631 Ang CA(25) at 55.73 72.54 106.774 in (null):V-9999 (3) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) self-bump: 1.29742 Ang CA(59) at 51.076 68.923 109.235 in (null):H-9999 (7) and CB(60) at 51.5157 69.5113 110.305 in (null):H-9999 (7) neighbor-bump: 2.31449 Ang O(47) at 53.448 65.16 108.773 in (null):K-9999 (5) and CB(51) at 51.3226 64.2501 108.881 in (null):Q-9999 (6) neighbor-bump: 2.62729 Ang C(48) at 53.275 65.44 107.587 in (null):K-9999 (5) and CB(51) at 51.3226 64.2501 108.881 in (null):Q-9999 (6) Number of specific fragments= 2 total=316 Number of alignments=138 # Reading fragments from alignment file # T0136 read from T0136-1a5lC-local-adpstyle5.pw.a2m.gz # 1a5lC read from T0136-1a5lC-local-adpstyle5.pw.a2m.gz # found chain 1a5lC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1a5lC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.03516 Ang CG(171) at 58.3864 78.9038 110.075 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:2.35209 Ang CD(172) at 58.568 79.2972 111.517 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:2.18738 Ang OE1(173) at 58.4841 78.4074 112.39 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:3.03847 Ang C(181) at 60.9 76.03 108.088 in (null):A-9999 (23) and CD(198) at 60.1901 76.437 111.014 in (null):E-9999 (27) other bump:2.34604 Ang N(182) at 61.311 74.817 108.446 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.38951 Ang O(184) at 61.227 72.863 110.295 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.71341 Ang C(181) at 60.9 76.03 108.088 in (null):A-9999 (23) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.61659 Ang CA(183) at 62.478 74.638 109.272 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.59798 Ang C(185) at 62.29 73.491 110.238 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.75467 Ang OE1(98) at 47.8423 87.3663 107.382 in (null):Q-9999 (13) and CB(112) at 47.716 84.619 107.225 in (null):A-9999 (15) other bump:2.95884 Ang CD(88) at 43.7712 90.9724 101.03 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) other bump:2.38148 Ang OE1(89) at 44.5859 90.5865 100.165 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) self-bump: 2.12671 Ang CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) and C(18) at 65.649 102.342 102.537 in (null):K-9999 (2) self-bump: 1.22781 Ang CA(11) at 65.395 101.137 101.625 in (null):K-9999 (2) and CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1a5lC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 1.77957 Ang C(184) at 55.713 83.306 103.017 in (null):D-9999 (22) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) self-bump: 2.20455 Ang CA(186) at 54.489 85.09 104.183 in (null):P-9999 (23) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) neighbor-bump: 2.41558 Ang O(183) at 56.767 83.93 103.016 in (null):D-9999 (22) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) other bump:2.57794 Ang C(12) at 54.848 72.977 108.99 in (null):R-9999 (1) and OG(60) at 52.3826 73.5899 108.552 in (null):S-9999 (7) other bump:2.45533 Ang CB(4) at 53.766 74.909 110.093 in (null):R-9999 (1) and OG(60) at 52.3826 73.5899 108.552 in (null):S-9999 (7) other bump:2.21696 Ang O(11) at 54.079 72.02 108.899 in (null):R-9999 (1) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:2.65018 Ang C(12) at 54.848 72.977 108.99 in (null):R-9999 (1) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:3.02974 Ang N(13) at 55.693 73.309 108.018 in (null):V-9999 (2) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:3.04631 Ang CA(14) at 55.73 72.54 106.774 in (null):V-9999 (2) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) self-bump: 1.29742 Ang CA(48) at 51.076 68.923 109.235 in (null):H-9999 (6) and CB(49) at 51.5157 69.5113 110.305 in (null):H-9999 (6) neighbor-bump: 2.31449 Ang O(36) at 53.448 65.16 108.773 in (null):K-9999 (4) and CB(40) at 51.3226 64.2501 108.881 in (null):Q-9999 (5) neighbor-bump: 2.62729 Ang C(37) at 53.275 65.44 107.587 in (null):K-9999 (4) and CB(40) at 51.3226 64.2501 108.881 in (null):Q-9999 (5) Number of specific fragments= 2 total=318 Number of alignments=139 # Reading fragments from alignment file # T0136 read from T0136-1a5lC-simpleSW-adpstyle1.pw.a2m.gz # 1a5lC read from T0136-1a5lC-simpleSW-adpstyle1.pw.a2m.gz # found chain 1a5lC in template set T0136 17 :EQLAEQRQVIEAGG 1a5lC 117 :EVIAAEGKIVTAGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=319 # Reading fragments from alignment file # T0136 read from T0136-1a5lC-simpleSW-adpstyle5.pw.a2m.gz # 1a5lC read from T0136-1a5lC-simpleSW-adpstyle5.pw.a2m.gz # found chain 1a5lC in template set T0136 16 :VEQLAEQRQVIEAGGGER 1a5lC 116 :TEVIAAEGKIVTAGGIDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.44785 Ang CG2(6) at 55.3207 73.5584 98.0466 in (null):V-9999 (1) and NE2(24) at 56.4662 74.9767 99.6801 in (null):Q-9999 (3) Number of specific fragments= 1 total=320 # Reading fragments from alignment file # T0136 read from T0136-1a5lC-vit-adpstyle1.pw.a2m.gz # 1a5lC read from T0136-1a5lC-vit-adpstyle1.pw.a2m.gz # found chain 1a5lC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1a5lC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.75467 Ang OE1(98) at 47.8423 87.3663 107.382 in (null):Q-9999 (13) and CB(112) at 47.716 84.619 107.225 in (null):A-9999 (15) other bump:2.95884 Ang CD(88) at 43.7712 90.9724 101.03 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) other bump:2.38148 Ang OE1(89) at 44.5859 90.5865 100.165 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) self-bump: 2.12671 Ang CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) and C(18) at 65.649 102.342 102.537 in (null):K-9999 (2) self-bump: 1.22781 Ang CA(11) at 65.395 101.137 101.625 in (null):K-9999 (2) and CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1a5lC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.54862 Ang NE(18) at 50.5345 75.341 108.435 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.57794 Ang C(23) at 54.848 72.977 108.99 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.63533 Ang CB(15) at 54.0327 75.1645 109.872 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:1.94398 Ang CG(16) at 52.521 75.039 109.84 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.29527 Ang CD(17) at 51.8981 75.8287 108.697 in (null):R-9999 (2) and OG(71) at 52.3826 73.5899 108.552 in (null):S-9999 (8) other bump:2.21696 Ang O(22) at 54.079 72.02 108.899 in (null):R-9999 (2) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:2.65018 Ang C(23) at 54.848 72.977 108.99 in (null):R-9999 (2) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:3.02974 Ang N(24) at 55.693 73.309 108.018 in (null):V-9999 (3) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) other bump:3.04631 Ang CA(25) at 55.73 72.54 106.774 in (null):V-9999 (3) and CB(70) at 52.7631 72.9143 107.355 in (null):S-9999 (8) self-bump: 1.29742 Ang CA(59) at 51.076 68.923 109.235 in (null):H-9999 (7) and CB(60) at 51.5157 69.5113 110.305 in (null):H-9999 (7) neighbor-bump: 2.31449 Ang O(47) at 53.448 65.16 108.773 in (null):K-9999 (5) and CB(51) at 51.3226 64.2501 108.881 in (null):Q-9999 (6) neighbor-bump: 2.62729 Ang C(48) at 53.275 65.44 107.587 in (null):K-9999 (5) and CB(51) at 51.3226 64.2501 108.881 in (null):Q-9999 (6) Number of specific fragments= 2 total=322 Number of alignments=140 # Reading fragments from alignment file # T0136 read from T0136-1a5lC-vit-adpstyle5.pw.a2m.gz # 1a5lC read from T0136-1a5lC-vit-adpstyle5.pw.a2m.gz # found chain 1a5lC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1a5lC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.03516 Ang CG(171) at 58.3864 78.9038 110.075 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:2.35209 Ang CD(172) at 58.568 79.2972 111.517 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:2.18738 Ang OE1(173) at 58.4841 78.4074 112.39 in (null):E-9999 (22) and OE1(199) at 59.2327 77.1777 110.743 in (null):E-9999 (27) other bump:3.03847 Ang C(181) at 60.9 76.03 108.088 in (null):A-9999 (23) and CD(198) at 60.1901 76.437 111.014 in (null):E-9999 (27) other bump:2.34604 Ang N(182) at 61.311 74.817 108.446 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.38951 Ang O(184) at 61.227 72.863 110.295 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.71341 Ang C(181) at 60.9 76.03 108.088 in (null):A-9999 (23) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.61659 Ang CA(183) at 62.478 74.638 109.272 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.59798 Ang C(185) at 62.29 73.491 110.238 in (null):G-9999 (24) and CG(197) at 60.1991 75.0101 110.503 in (null):E-9999 (27) other bump:2.75467 Ang OE1(98) at 47.8423 87.3663 107.382 in (null):Q-9999 (13) and CB(112) at 47.716 84.619 107.225 in (null):A-9999 (15) other bump:2.95884 Ang CD(88) at 43.7712 90.9724 101.03 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) other bump:2.38148 Ang OE1(89) at 44.5859 90.5865 100.165 in (null):E-9999 (12) and CD1(106) at 45.695 88.728 101.159 in (null):L-9999 (14) self-bump: 2.12671 Ang CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) and C(18) at 65.649 102.342 102.537 in (null):K-9999 (2) self-bump: 1.22781 Ang CA(11) at 65.395 101.137 101.625 in (null):K-9999 (2) and CB(12) at 66.5218 100.969 101.167 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1a5lC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 1.77957 Ang C(184) at 55.713 83.306 103.017 in (null):D-9999 (22) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) self-bump: 2.20455 Ang CA(186) at 54.489 85.09 104.183 in (null):P-9999 (23) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) neighbor-bump: 2.41558 Ang O(183) at 56.767 83.93 103.016 in (null):D-9999 (22) and CD(189) at 55.2789 83.1062 104.731 in (null):P-9999 (23) other bump:2.57794 Ang C(12) at 54.848 72.977 108.99 in (null):R-9999 (1) and OG(60) at 52.3826 73.5899 108.552 in (null):S-9999 (7) other bump:2.45533 Ang CB(4) at 53.766 74.909 110.093 in (null):R-9999 (1) and OG(60) at 52.3826 73.5899 108.552 in (null):S-9999 (7) other bump:2.21696 Ang O(11) at 54.079 72.02 108.899 in (null):R-9999 (1) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:2.65018 Ang C(12) at 54.848 72.977 108.99 in (null):R-9999 (1) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:3.02974 Ang N(13) at 55.693 73.309 108.018 in (null):V-9999 (2) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) other bump:3.04631 Ang CA(14) at 55.73 72.54 106.774 in (null):V-9999 (2) and CB(59) at 52.7631 72.9143 107.355 in (null):S-9999 (7) self-bump: 1.29742 Ang CA(48) at 51.076 68.923 109.235 in (null):H-9999 (6) and CB(49) at 51.5157 69.5113 110.305 in (null):H-9999 (6) neighbor-bump: 2.31449 Ang O(36) at 53.448 65.16 108.773 in (null):K-9999 (4) and CB(40) at 51.3226 64.2501 108.881 in (null):Q-9999 (5) neighbor-bump: 2.62729 Ang C(37) at 53.275 65.44 107.587 in (null):K-9999 (4) and CB(40) at 51.3226 64.2501 108.881 in (null):Q-9999 (5) Number of specific fragments= 2 total=324 Number of alignments=141 # command:# Prefix for input files set to 1a5oC/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-1a5oC-local-adpstyle1.pw.a2m.gz # 1a5oC read from T0136-1a5oC-local-adpstyle1.pw.a2m.gz # found chain 1a5oC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1a5oC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.7392 Ang OE1(98) at 47.5044 87.3125 107.422 in (null):Q-9999 (13) and CB(112) at 47.734 84.59 107.225 in (null):A-9999 (15) other bump:2.6939 Ang CD(88) at 43.7556 91.0698 101.098 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) other bump:2.23941 Ang OE1(89) at 44.5778 90.6701 100.247 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) self-bump: 2.14173 Ang CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) and C(18) at 65.704 102.379 102.555 in (null):K-9999 (2) self-bump: 1.22873 Ang CA(11) at 65.441 101.192 101.629 in (null):K-9999 (2) and CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1a5oC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.69192 Ang OE1(101) at 45.1562 66.271 96.4688 in (null):Q-9999 (12) and CD(132) at 44.3137 66.0035 93.9262 in (null):E-9999 (16) other bump:2.28475 Ang CD(17) at 51.7692 75.745 108.556 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.51144 Ang NE(18) at 50.4167 75.2272 108.294 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:1.82902 Ang CG(16) at 52.4021 74.9824 109.712 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.62477 Ang C(23) at 54.766 72.959 108.888 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.6012 Ang CB(15) at 53.9109 75.138 109.749 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.12401 Ang O(22) at 54.023 71.975 108.82 in (null):R-9999 (2) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:2.5688 Ang C(23) at 54.766 72.959 108.888 in (null):R-9999 (2) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:3.04427 Ang N(24) at 55.608 73.286 107.912 in (null):V-9999 (3) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:3.15023 Ang CA(25) at 55.661 72.516 106.665 in (null):V-9999 (3) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) self-bump: 1.28705 Ang CA(59) at 50.888 68.903 109.35 in (null):H-9999 (7) and CB(60) at 51.2764 69.5284 110.406 in (null):H-9999 (7) neighbor-bump: 2.3016 Ang O(47) at 53.326 65.25 108.833 in (null):K-9999 (5) and CB(51) at 51.2571 64.258 109.014 in (null):Q-9999 (6) neighbor-bump: 2.62731 Ang C(48) at 53.115 65.509 107.641 in (null):K-9999 (5) and CB(51) at 51.2571 64.258 109.014 in (null):Q-9999 (6) Number of specific fragments= 2 total=326 Number of alignments=142 # Reading fragments from alignment file # T0136 read from T0136-1a5oC-local-adpstyle5.pw.a2m.gz # 1a5oC read from T0136-1a5oC-local-adpstyle5.pw.a2m.gz # found chain 1a5oC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1a5oC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.75306 Ang CB(170) at 56.9819 78.668 109.763 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:1.92902 Ang CG(171) at 58.4544 78.8994 110.05 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:2.28819 Ang CD(172) at 58.7071 79.3157 111.475 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:2.13305 Ang OE1(173) at 58.6586 78.4414 112.366 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:3.05567 Ang C(181) at 60.768 75.975 108.079 in (null):A-9999 (23) and CD(198) at 60.0668 76.4687 111.012 in (null):E-9999 (27) other bump:3.28426 Ang CA(183) at 62.209 74.558 109.416 in (null):G-9999 (24) and CD(198) at 60.0668 76.4687 111.012 in (null):E-9999 (27) other bump:2.27288 Ang N(182) at 61.085 74.759 108.523 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.52361 Ang O(184) at 61.018 72.692 110.348 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.72929 Ang C(181) at 60.768 75.975 108.079 in (null):A-9999 (23) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.45414 Ang CA(183) at 62.209 74.558 109.416 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.56086 Ang C(185) at 62.038 73.386 110.359 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:3.12694 Ang N(182) at 61.085 74.759 108.523 in (null):G-9999 (24) and CB(196) at 58.6922 74.4055 110.505 in (null):E-9999 (27) other bump:2.7392 Ang OE1(98) at 47.5044 87.3125 107.422 in (null):Q-9999 (13) and CB(112) at 47.734 84.59 107.225 in (null):A-9999 (15) other bump:2.6939 Ang CD(88) at 43.7556 91.0698 101.098 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) other bump:2.23941 Ang OE1(89) at 44.5778 90.6701 100.247 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) self-bump: 2.14173 Ang CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) and C(18) at 65.704 102.379 102.555 in (null):K-9999 (2) self-bump: 1.22873 Ang CA(11) at 65.441 101.192 101.629 in (null):K-9999 (2) and CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1a5oC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.84218 Ang CB(179) at 55.4158 80.6346 103.253 in (null):D-9999 (22) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) neighbor-bump: 1.92807 Ang C(184) at 55.632 83.232 102.975 in (null):D-9999 (22) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) self-bump: 2.22462 Ang CA(186) at 54.448 85.014 104.216 in (null):P-9999 (23) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) other bump:2.69192 Ang OE1(90) at 45.1562 66.271 96.4688 in (null):Q-9999 (11) and CD(121) at 44.3137 66.0035 93.9262 in (null):E-9999 (15) other bump:2.62477 Ang C(12) at 54.766 72.959 108.888 in (null):R-9999 (1) and OG(60) at 52.2096 73.5051 108.651 in (null):S-9999 (7) other bump:2.38858 Ang CB(4) at 53.6456 74.8767 109.978 in (null):R-9999 (1) and OG(60) at 52.2096 73.5051 108.651 in (null):S-9999 (7) other bump:2.12401 Ang O(11) at 54.023 71.975 108.82 in (null):R-9999 (1) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:2.5688 Ang C(12) at 54.766 72.959 108.888 in (null):R-9999 (1) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:3.04427 Ang N(13) at 55.608 73.286 107.912 in (null):V-9999 (2) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:3.15023 Ang CA(14) at 55.661 72.516 106.665 in (null):V-9999 (2) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) self-bump: 1.28705 Ang CA(48) at 50.888 68.903 109.35 in (null):H-9999 (6) and CB(49) at 51.2764 69.5284 110.406 in (null):H-9999 (6) neighbor-bump: 2.3016 Ang O(36) at 53.326 65.25 108.833 in (null):K-9999 (4) and CB(40) at 51.2571 64.258 109.014 in (null):Q-9999 (5) neighbor-bump: 2.62731 Ang C(37) at 53.115 65.509 107.641 in (null):K-9999 (4) and CB(40) at 51.2571 64.258 109.014 in (null):Q-9999 (5) Number of specific fragments= 2 total=328 Number of alignments=143 # Reading fragments from alignment file # T0136 read from T0136-1a5oC-simpleSW-adpstyle1.pw.a2m.gz # 1a5oC read from T0136-1a5oC-simpleSW-adpstyle1.pw.a2m.gz # found chain 1a5oC in template set T0136 17 :EQLAEQRQVIEAGG 1a5oC 117 :EVIAAEGKIVTAGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=329 # Reading fragments from alignment file # T0136 read from T0136-1a5oC-simpleSW-adpstyle5.pw.a2m.gz # 1a5oC read from T0136-1a5oC-simpleSW-adpstyle5.pw.a2m.gz # found chain 1a5oC in template set T0136 16 :VEQLAEQRQVIEAGGGER 1a5oC 116 :TEVIAAEGKIVTAGGIDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.47228 Ang CG2(6) at 55.2261 73.6589 97.8119 in (null):V-9999 (1) and NE2(24) at 56.3844 74.9254 99.5913 in (null):Q-9999 (3) Number of specific fragments= 1 total=330 # Reading fragments from alignment file # T0136 read from T0136-1a5oC-vit-adpstyle1.pw.a2m.gz # 1a5oC read from T0136-1a5oC-vit-adpstyle1.pw.a2m.gz # found chain 1a5oC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1a5oC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.7392 Ang OE1(98) at 47.5044 87.3125 107.422 in (null):Q-9999 (13) and CB(112) at 47.734 84.59 107.225 in (null):A-9999 (15) other bump:2.6939 Ang CD(88) at 43.7556 91.0698 101.098 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) other bump:2.23941 Ang OE1(89) at 44.5778 90.6701 100.247 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) self-bump: 2.14173 Ang CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) and C(18) at 65.704 102.379 102.555 in (null):K-9999 (2) self-bump: 1.22873 Ang CA(11) at 65.441 101.192 101.629 in (null):K-9999 (2) and CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1a5oC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.69192 Ang OE1(101) at 45.1562 66.271 96.4688 in (null):Q-9999 (12) and CD(132) at 44.3137 66.0035 93.9262 in (null):E-9999 (16) other bump:2.28475 Ang CD(17) at 51.7692 75.745 108.556 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.51144 Ang NE(18) at 50.4167 75.2272 108.294 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:1.82902 Ang CG(16) at 52.4021 74.9824 109.712 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.62477 Ang C(23) at 54.766 72.959 108.888 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.6012 Ang CB(15) at 53.9109 75.138 109.749 in (null):R-9999 (2) and OG(71) at 52.2096 73.5051 108.651 in (null):S-9999 (8) other bump:2.12401 Ang O(22) at 54.023 71.975 108.82 in (null):R-9999 (2) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:2.5688 Ang C(23) at 54.766 72.959 108.888 in (null):R-9999 (2) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:3.04427 Ang N(24) at 55.608 73.286 107.912 in (null):V-9999 (3) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) other bump:3.15023 Ang CA(25) at 55.661 72.516 106.665 in (null):V-9999 (3) and CB(70) at 52.6308 72.8341 107.465 in (null):S-9999 (8) self-bump: 1.28705 Ang CA(59) at 50.888 68.903 109.35 in (null):H-9999 (7) and CB(60) at 51.2764 69.5284 110.406 in (null):H-9999 (7) neighbor-bump: 2.3016 Ang O(47) at 53.326 65.25 108.833 in (null):K-9999 (5) and CB(51) at 51.2571 64.258 109.014 in (null):Q-9999 (6) neighbor-bump: 2.62731 Ang C(48) at 53.115 65.509 107.641 in (null):K-9999 (5) and CB(51) at 51.2571 64.258 109.014 in (null):Q-9999 (6) Number of specific fragments= 2 total=332 Number of alignments=144 # Reading fragments from alignment file # T0136 read from T0136-1a5oC-vit-adpstyle5.pw.a2m.gz # 1a5oC read from T0136-1a5oC-vit-adpstyle5.pw.a2m.gz # found chain 1a5oC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1a5oC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.75306 Ang CB(170) at 56.9819 78.668 109.763 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:1.92902 Ang CG(171) at 58.4544 78.8994 110.05 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:2.28819 Ang CD(172) at 58.7071 79.3157 111.475 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:2.13305 Ang OE1(173) at 58.6586 78.4414 112.366 in (null):E-9999 (22) and OE1(199) at 59.1236 77.2071 110.69 in (null):E-9999 (27) other bump:3.05567 Ang C(181) at 60.768 75.975 108.079 in (null):A-9999 (23) and CD(198) at 60.0668 76.4687 111.012 in (null):E-9999 (27) other bump:3.28426 Ang CA(183) at 62.209 74.558 109.416 in (null):G-9999 (24) and CD(198) at 60.0668 76.4687 111.012 in (null):E-9999 (27) other bump:2.27288 Ang N(182) at 61.085 74.759 108.523 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.52361 Ang O(184) at 61.018 72.692 110.348 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.72929 Ang C(181) at 60.768 75.975 108.079 in (null):A-9999 (23) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.45414 Ang CA(183) at 62.209 74.558 109.416 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:2.56086 Ang C(185) at 62.038 73.386 110.359 in (null):G-9999 (24) and CG(197) at 60.0806 75.0268 110.544 in (null):E-9999 (27) other bump:3.12694 Ang N(182) at 61.085 74.759 108.523 in (null):G-9999 (24) and CB(196) at 58.6922 74.4055 110.505 in (null):E-9999 (27) other bump:2.7392 Ang OE1(98) at 47.5044 87.3125 107.422 in (null):Q-9999 (13) and CB(112) at 47.734 84.59 107.225 in (null):A-9999 (15) other bump:2.6939 Ang CD(88) at 43.7556 91.0698 101.098 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) other bump:2.23941 Ang OE1(89) at 44.5778 90.6701 100.247 in (null):E-9999 (12) and CD1(106) at 45.217 88.819 101.333 in (null):L-9999 (14) self-bump: 2.14173 Ang CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) and C(18) at 65.704 102.379 102.555 in (null):K-9999 (2) self-bump: 1.22873 Ang CA(11) at 65.441 101.192 101.629 in (null):K-9999 (2) and CB(12) at 66.5515 101.022 101.131 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1a5oC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.84218 Ang CB(179) at 55.4158 80.6346 103.253 in (null):D-9999 (22) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) neighbor-bump: 1.92807 Ang C(184) at 55.632 83.232 102.975 in (null):D-9999 (22) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) self-bump: 2.22462 Ang CA(186) at 54.448 85.014 104.216 in (null):P-9999 (23) and CD(189) at 55.1381 82.988 104.823 in (null):P-9999 (23) other bump:2.69192 Ang OE1(90) at 45.1562 66.271 96.4688 in (null):Q-9999 (11) and CD(121) at 44.3137 66.0035 93.9262 in (null):E-9999 (15) other bump:2.62477 Ang C(12) at 54.766 72.959 108.888 in (null):R-9999 (1) and OG(60) at 52.2096 73.5051 108.651 in (null):S-9999 (7) other bump:2.38858 Ang CB(4) at 53.6456 74.8767 109.978 in (null):R-9999 (1) and OG(60) at 52.2096 73.5051 108.651 in (null):S-9999 (7) other bump:2.12401 Ang O(11) at 54.023 71.975 108.82 in (null):R-9999 (1) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:2.5688 Ang C(12) at 54.766 72.959 108.888 in (null):R-9999 (1) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:3.04427 Ang N(13) at 55.608 73.286 107.912 in (null):V-9999 (2) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) other bump:3.15023 Ang CA(14) at 55.661 72.516 106.665 in (null):V-9999 (2) and CB(59) at 52.6308 72.8341 107.465 in (null):S-9999 (7) self-bump: 1.28705 Ang CA(48) at 50.888 68.903 109.35 in (null):H-9999 (6) and CB(49) at 51.2764 69.5284 110.406 in (null):H-9999 (6) neighbor-bump: 2.3016 Ang O(36) at 53.326 65.25 108.833 in (null):K-9999 (4) and CB(40) at 51.2571 64.258 109.014 in (null):Q-9999 (5) neighbor-bump: 2.62731 Ang C(37) at 53.115 65.509 107.641 in (null):K-9999 (4) and CB(40) at 51.2571 64.258 109.014 in (null):Q-9999 (5) Number of specific fragments= 2 total=334 Number of alignments=145 # command:# Prefix for input files set to 1ejsC/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-1ejsC-local-adpstyle1.pw.a2m.gz # 1ejsC read from T0136-1ejsC-local-adpstyle1.pw.a2m.gz # found chain 1ejsC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1ejsC 1023 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78698 Ang OE1(98) at 47.7656 87.3727 107.41 in (null):Q-9999 (13) and CB(112) at 47.743 84.59 107.257 in (null):A-9999 (15) other bump:2.59575 Ang CD(88) at 43.7332 91.0949 101.08 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) other bump:2.37883 Ang OE1(89) at 44.5379 90.6871 100.216 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) self-bump: 2.13396 Ang CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) and C(18) at 65.635 102.391 102.397 in (null):K-9999 (2) self-bump: 1.23395 Ang CA(11) at 65.305 101.188 101.504 in (null):K-9999 (2) and CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1ejsC 1049 :KVIRDGMGQGQMLAADCVDLVL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.66823 Ang CG(99) at 48.7419 67.56 97.5469 in (null):Q-9999 (12) and CD(141) at 51.1578 68.6884 97.6432 in (null):R-9999 (17) other bump:3.0787 Ang CD(100) at 48.089 68.8839 97.7933 in (null):Q-9999 (12) and CD(141) at 51.1578 68.6884 97.6432 in (null):R-9999 (17) other bump:2.72816 Ang NE2(102) at 47.3866 69.3853 96.7896 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.32058 Ang CG(99) at 48.7419 67.56 97.5469 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.31177 Ang CD(100) at 48.089 68.8839 97.7933 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.60668 Ang NE2(102) at 47.3866 69.3853 96.7896 in (null):Q-9999 (12) and C(136) at 47.77 69.572 94.218 in (null):E-9999 (16) other bump:2.53285 Ang NE(18) at 50.6436 75.3214 108.595 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.61617 Ang CB(15) at 54.1671 75.1656 109.971 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:1.92238 Ang CG(16) at 52.6552 75.0369 109.967 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.2697 Ang CD(17) at 52.0106 75.8142 108.827 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.55976 Ang C(23) at 54.956 72.991 109.084 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.27921 Ang O(22) at 54.228 72.003 109.048 in (null):R-9999 (2) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.63965 Ang C(23) at 54.956 72.991 109.084 in (null):R-9999 (2) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.97882 Ang N(24) at 55.75 73.327 108.071 in (null):V-9999 (3) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.98847 Ang CA(25) at 55.745 72.543 106.835 in (null):V-9999 (3) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) self-bump: 1.29779 Ang CA(59) at 51.11 69.014 109.422 in (null):H-9999 (7) and CB(60) at 51.5905 69.6129 110.468 in (null):H-9999 (7) Number of specific fragments= 2 total=336 Number of alignments=146 # Reading fragments from alignment file # T0136 read from T0136-1ejsC-local-adpstyle5.pw.a2m.gz # 1ejsC read from T0136-1ejsC-local-adpstyle5.pw.a2m.gz # found chain 1ejsC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1ejsC 1023 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.28349 Ang CG(171) at 58.6014 79.0547 110.021 in (null):E-9999 (22) and OE1(199) at 59.4741 77.0387 110.645 in (null):E-9999 (27) other bump:2.67216 Ang CD(172) at 58.8388 79.5106 111.436 in (null):E-9999 (22) and OE1(199) at 59.4741 77.0387 110.645 in (null):E-9999 (27) other bump:2.9973 Ang N(182) at 61.381 74.853 108.472 in (null):G-9999 (24) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:2.98995 Ang C(181) at 61.003 76.041 108.005 in (null):A-9999 (23) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:3.17581 Ang CA(183) at 62.599 74.702 109.247 in (null):G-9999 (24) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:2.25373 Ang N(182) at 61.381 74.853 108.472 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.28726 Ang O(184) at 61.417 72.828 110.16 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.8297 Ang C(181) at 61.003 76.041 108.005 in (null):A-9999 (23) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.56594 Ang CA(183) at 62.599 74.702 109.247 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.48267 Ang C(185) at 62.445 73.526 110.187 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.78698 Ang OE1(98) at 47.7656 87.3727 107.41 in (null):Q-9999 (13) and CB(112) at 47.743 84.59 107.257 in (null):A-9999 (15) other bump:2.59575 Ang CD(88) at 43.7332 91.0949 101.08 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) other bump:2.37883 Ang OE1(89) at 44.5379 90.6871 100.216 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) self-bump: 2.13396 Ang CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) and C(18) at 65.635 102.391 102.397 in (null):K-9999 (2) self-bump: 1.23395 Ang CA(11) at 65.305 101.188 101.504 in (null):K-9999 (2) and CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1ejsC 1050 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.85472 Ang CB(179) at 55.3684 80.7655 103.198 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) self-bump: 2.20386 Ang CA(186) at 54.595 85.171 104.195 in (null):P-9999 (23) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) neighbor-bump: 2.39829 Ang O(183) at 56.857 83.962 103.029 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) neighbor-bump: 1.75473 Ang C(184) at 55.778 83.366 103.036 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) other bump:2.66823 Ang CG(88) at 48.7419 67.56 97.5469 in (null):Q-9999 (11) and CD(130) at 51.1578 68.6884 97.6432 in (null):R-9999 (16) other bump:3.0787 Ang CD(89) at 48.089 68.8839 97.7933 in (null):Q-9999 (11) and CD(130) at 51.1578 68.6884 97.6432 in (null):R-9999 (16) other bump:2.32058 Ang CG(88) at 48.7419 67.56 97.5469 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.31177 Ang CD(89) at 48.089 68.8839 97.7933 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.72816 Ang NE2(91) at 47.3866 69.3853 96.7896 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.60668 Ang NE2(91) at 47.3866 69.3853 96.7896 in (null):Q-9999 (11) and C(125) at 47.77 69.572 94.218 in (null):E-9999 (15) other bump:2.55976 Ang C(12) at 54.956 72.991 109.084 in (null):R-9999 (1) and OG(60) at 52.5005 73.6018 108.697 in (null):S-9999 (7) other bump:2.43701 Ang CB(4) at 53.9086 74.9165 110.19 in (null):R-9999 (1) and OG(60) at 52.5005 73.6018 108.697 in (null):S-9999 (7) other bump:2.27921 Ang O(11) at 54.228 72.003 109.048 in (null):R-9999 (1) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.63965 Ang C(12) at 54.956 72.991 109.084 in (null):R-9999 (1) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.97882 Ang N(13) at 55.75 73.327 108.071 in (null):V-9999 (2) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.98847 Ang CA(14) at 55.745 72.543 106.835 in (null):V-9999 (2) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) self-bump: 1.29779 Ang CA(48) at 51.11 69.014 109.422 in (null):H-9999 (6) and CB(49) at 51.5905 69.6129 110.468 in (null):H-9999 (6) Number of specific fragments= 2 total=338 Number of alignments=147 # Reading fragments from alignment file # T0136 read from T0136-1ejsC-simpleSW-adpstyle1.pw.a2m.gz # 1ejsC read from T0136-1ejsC-simpleSW-adpstyle1.pw.a2m.gz # found chain 1ejsC in template set T0136 17 :EQLAEQRQVIEAGG 1ejsC 1117 :EVIAAEGKIVTAGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=339 # Reading fragments from alignment file # T0136 read from T0136-1ejsC-simpleSW-adpstyle5.pw.a2m.gz # 1ejsC read from T0136-1ejsC-simpleSW-adpstyle5.pw.a2m.gz # found chain 1ejsC in template set T0136 16 :VEQLAEQRQVIEAGGGER 1ejsC 1116 :TEVIAAEGKIVTAGGIDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.4869 Ang CG2(6) at 55.2808 73.5502 97.9243 in (null):V-9999 (1) and NE2(24) at 56.3082 75.0578 99.6143 in (null):Q-9999 (3) Number of specific fragments= 1 total=340 # Reading fragments from alignment file # T0136 read from T0136-1ejsC-vit-adpstyle1.pw.a2m.gz # 1ejsC read from T0136-1ejsC-vit-adpstyle1.pw.a2m.gz # found chain 1ejsC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1ejsC 1023 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78698 Ang OE1(98) at 47.7656 87.3727 107.41 in (null):Q-9999 (13) and CB(112) at 47.743 84.59 107.257 in (null):A-9999 (15) other bump:2.59575 Ang CD(88) at 43.7332 91.0949 101.08 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) other bump:2.37883 Ang OE1(89) at 44.5379 90.6871 100.216 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) self-bump: 2.13396 Ang CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) and C(18) at 65.635 102.391 102.397 in (null):K-9999 (2) self-bump: 1.23395 Ang CA(11) at 65.305 101.188 101.504 in (null):K-9999 (2) and CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1ejsC 1049 :KVIRDGMGQGQMLAADCVDLVL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.66823 Ang CG(99) at 48.7419 67.56 97.5469 in (null):Q-9999 (12) and CD(141) at 51.1578 68.6884 97.6432 in (null):R-9999 (17) other bump:3.0787 Ang CD(100) at 48.089 68.8839 97.7933 in (null):Q-9999 (12) and CD(141) at 51.1578 68.6884 97.6432 in (null):R-9999 (17) other bump:2.72816 Ang NE2(102) at 47.3866 69.3853 96.7896 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.32058 Ang CG(99) at 48.7419 67.56 97.5469 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.31177 Ang CD(100) at 48.089 68.8839 97.7933 in (null):Q-9999 (12) and CG(140) at 50.1107 69.2478 96.7329 in (null):R-9999 (17) other bump:2.60668 Ang NE2(102) at 47.3866 69.3853 96.7896 in (null):Q-9999 (12) and C(136) at 47.77 69.572 94.218 in (null):E-9999 (16) other bump:2.53285 Ang NE(18) at 50.6436 75.3214 108.595 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.61617 Ang CB(15) at 54.1671 75.1656 109.971 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:1.92238 Ang CG(16) at 52.6552 75.0369 109.967 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.2697 Ang CD(17) at 52.0106 75.8142 108.827 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.55976 Ang C(23) at 54.956 72.991 109.084 in (null):R-9999 (2) and OG(71) at 52.5005 73.6018 108.697 in (null):S-9999 (8) other bump:2.27921 Ang O(22) at 54.228 72.003 109.048 in (null):R-9999 (2) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.63965 Ang C(23) at 54.956 72.991 109.084 in (null):R-9999 (2) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.97882 Ang N(24) at 55.75 73.327 108.071 in (null):V-9999 (3) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) other bump:2.98847 Ang CA(25) at 55.745 72.543 106.835 in (null):V-9999 (3) and CB(70) at 52.8552 72.9371 107.487 in (null):S-9999 (8) self-bump: 1.29779 Ang CA(59) at 51.11 69.014 109.422 in (null):H-9999 (7) and CB(60) at 51.5905 69.6129 110.468 in (null):H-9999 (7) Number of specific fragments= 2 total=342 Number of alignments=148 # Reading fragments from alignment file # T0136 read from T0136-1ejsC-vit-adpstyle5.pw.a2m.gz # 1ejsC read from T0136-1ejsC-vit-adpstyle5.pw.a2m.gz # found chain 1ejsC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1ejsC 1023 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.28349 Ang CG(171) at 58.6014 79.0547 110.021 in (null):E-9999 (22) and OE1(199) at 59.4741 77.0387 110.645 in (null):E-9999 (27) other bump:2.67216 Ang CD(172) at 58.8388 79.5106 111.436 in (null):E-9999 (22) and OE1(199) at 59.4741 77.0387 110.645 in (null):E-9999 (27) other bump:2.9973 Ang N(182) at 61.381 74.853 108.472 in (null):G-9999 (24) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:2.98995 Ang C(181) at 61.003 76.041 108.005 in (null):A-9999 (23) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:3.17581 Ang CA(183) at 62.599 74.702 109.247 in (null):G-9999 (24) and CD(198) at 60.4081 76.2725 110.926 in (null):E-9999 (27) other bump:2.25373 Ang N(182) at 61.381 74.853 108.472 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.28726 Ang O(184) at 61.417 72.828 110.16 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.8297 Ang C(181) at 61.003 76.041 108.005 in (null):A-9999 (23) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.56594 Ang CA(183) at 62.599 74.702 109.247 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.48267 Ang C(185) at 62.445 73.526 110.187 in (null):G-9999 (24) and CG(197) at 60.3499 74.8263 110.476 in (null):E-9999 (27) other bump:2.78698 Ang OE1(98) at 47.7656 87.3727 107.41 in (null):Q-9999 (13) and CB(112) at 47.743 84.59 107.257 in (null):A-9999 (15) other bump:2.59575 Ang CD(88) at 43.7332 91.0949 101.08 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) other bump:2.37883 Ang OE1(89) at 44.5379 90.6871 100.216 in (null):E-9999 (12) and CD2(107) at 44.406 88.603 101.355 in (null):L-9999 (14) self-bump: 2.13396 Ang CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) and C(18) at 65.635 102.391 102.397 in (null):K-9999 (2) self-bump: 1.23395 Ang CA(11) at 65.305 101.188 101.504 in (null):K-9999 (2) and CB(12) at 66.408 100.986 100.989 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1ejsC 1050 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.85472 Ang CB(179) at 55.3684 80.7655 103.198 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) self-bump: 2.20386 Ang CA(186) at 54.595 85.171 104.195 in (null):P-9999 (23) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) neighbor-bump: 2.39829 Ang O(183) at 56.857 83.962 103.029 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) neighbor-bump: 1.75473 Ang C(184) at 55.778 83.366 103.036 in (null):D-9999 (22) and CD(189) at 55.3603 83.1746 104.73 in (null):P-9999 (23) other bump:2.66823 Ang CG(88) at 48.7419 67.56 97.5469 in (null):Q-9999 (11) and CD(130) at 51.1578 68.6884 97.6432 in (null):R-9999 (16) other bump:3.0787 Ang CD(89) at 48.089 68.8839 97.7933 in (null):Q-9999 (11) and CD(130) at 51.1578 68.6884 97.6432 in (null):R-9999 (16) other bump:2.32058 Ang CG(88) at 48.7419 67.56 97.5469 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.31177 Ang CD(89) at 48.089 68.8839 97.7933 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.72816 Ang NE2(91) at 47.3866 69.3853 96.7896 in (null):Q-9999 (11) and CG(129) at 50.1107 69.2478 96.7329 in (null):R-9999 (16) other bump:2.60668 Ang NE2(91) at 47.3866 69.3853 96.7896 in (null):Q-9999 (11) and C(125) at 47.77 69.572 94.218 in (null):E-9999 (15) other bump:2.55976 Ang C(12) at 54.956 72.991 109.084 in (null):R-9999 (1) and OG(60) at 52.5005 73.6018 108.697 in (null):S-9999 (7) other bump:2.43701 Ang CB(4) at 53.9086 74.9165 110.19 in (null):R-9999 (1) and OG(60) at 52.5005 73.6018 108.697 in (null):S-9999 (7) other bump:2.27921 Ang O(11) at 54.228 72.003 109.048 in (null):R-9999 (1) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.63965 Ang C(12) at 54.956 72.991 109.084 in (null):R-9999 (1) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.97882 Ang N(13) at 55.75 73.327 108.071 in (null):V-9999 (2) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) other bump:2.98847 Ang CA(14) at 55.745 72.543 106.835 in (null):V-9999 (2) and CB(59) at 52.8552 72.9371 107.487 in (null):S-9999 (7) self-bump: 1.29779 Ang CA(48) at 51.11 69.014 109.422 in (null):H-9999 (6) and CB(49) at 51.5905 69.6129 110.468 in (null):H-9999 (6) Number of specific fragments= 2 total=344 Number of alignments=149 # command:# Prefix for input files set to 2pbg/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-2pbg-local-adpstyle1.pw.a2m.gz # 2pbg read from T0136-2pbg-local-adpstyle1.pw.a2m.gz # found chain 2pbg in template set T0136 36 :EKQHSQGKQTARERLNNLLDPHSFD 2pbg 121 :EALHSNGDFLNRENIEHFIDYAAFC Fragment has 54 clashes (null) has 54 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.56921 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.6521 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:3.28374 Ang CA(144) at 28.631 78.64 10.096 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.9451 Ang C(150) at 29.515 79.72 10.705 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.00473 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:3.14637 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:2.06801 Ang OE1(25) at 24.7359 77.361 4.81201 in (null):Q-9999 (3) and OD1(140) at 25.9847 78.75 3.92443 in (null):N-9999 (17) other bump:2.62465 Ang C(44) at 21.577 69.701 1.258 in (null):S-9999 (5) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.41758 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.88132 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.64014 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.44591 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.75992 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.91139 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.18334 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.2748 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.75873 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.20048 Ang C(57) at 26.201 69.108 3.385 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.76239 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.39453 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.07226 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.55902 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.93791 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.26236 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:3.07848 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.24552 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.66157 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.86525 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.63333 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.82985 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.76172 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.69607 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.77087 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:1.70483 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:3.06196 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.88383 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:3.2463 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:2.50179 Ang O(65) at 27.606 71.579 5.348 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) self-bump: 2.15572 Ang CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) and C(66) at 27.239 70.48 5.769 in (null):K-9999 (8) other bump:2.37015 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.7257 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.47714 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.15267 Ang O(0) at 19.883 73.495 6.982 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.76546 Ang C(1) at 18.997 73.618 7.833 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.56416 Ang CG(32) at 21.203 68.425 7.099 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.69445 Ang CD2(33) at 21.866 68.027 8.212 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.78667 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.35497 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.00064 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.70285 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.30663 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.85871 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.84715 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CG(61) at 24.0983 69.544 7.23514 in (null):K-9999 (8) self-bump: 1.27949 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) Number of specific fragments= 1 total=345 Number of alignments=150 # Reading fragments from alignment file # T0136 read from T0136-2pbg-local-adpstyle5.pw.a2m.gz # 2pbg read from T0136-2pbg-local-adpstyle5.pw.a2m.gz # found chain 2pbg in template set T0136 32 :ERRVEKQHSQGKQTARERLNNLLDPHS 2pbg 117 :FDTPEALHSNGDFLNRENIEHFIDYAA Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:1.56921 Ang O(179) at 27.146 80.697 9.036 in (null):N-9999 (21) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.6521 Ang C(180) at 27.771 79.968 8.264 in (null):N-9999 (21) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:3.28374 Ang CA(182) at 28.631 78.64 10.096 in (null):L-9999 (22) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.9451 Ang C(188) at 29.515 79.72 10.705 in (null):L-9999 (22) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.00473 Ang O(179) at 27.146 80.697 9.036 in (null):N-9999 (21) and CG(208) at 26.0317 80.9981 10.6751 in (null):P-9999 (25) other bump:3.14637 Ang C(180) at 27.771 79.968 8.264 in (null):N-9999 (21) and CG(208) at 26.0317 80.9981 10.6751 in (null):P-9999 (25) other bump:2.06801 Ang OE1(63) at 24.7359 77.361 4.81201 in (null):Q-9999 (7) and OD1(178) at 25.9847 78.75 3.92443 in (null):N-9999 (21) other bump:2.62465 Ang C(82) at 21.577 69.701 1.258 in (null):S-9999 (9) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.41758 Ang N(83) at 22.062 70.937 1.338 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.88132 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.44591 Ang CA(84) at 23.148 71.426 0.492 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.75992 Ang CB(85) at 22.7511 73.0404 0.727132 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.91139 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.64014 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.18334 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.76239 Ang O(90) at 25.505 71.663 1.037 in (null):Q-9999 (10) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.39453 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.2748 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.75873 Ang CA(93) at 25.835 69.065 1.903 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.20048 Ang C(95) at 26.201 69.108 3.385 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.07226 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.55902 Ang N(83) at 22.062 70.937 1.338 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.93791 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.24552 Ang CA(84) at 23.148 71.426 0.492 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.66157 Ang CB(85) at 22.7511 73.0404 0.727132 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.86525 Ang O(90) at 25.505 71.663 1.037 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.63333 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.26236 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:3.07848 Ang CA(93) at 25.835 69.065 1.903 in (null):G-9999 (11) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.82985 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.76172 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.69607 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:2.77087 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:1.70483 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:3.06196 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:2.88383 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:3.2463 Ang CA(97) at 25.786 70.04 5.601 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:2.50179 Ang O(103) at 27.606 71.579 5.348 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:2.38462 Ang NH1(29) at 27.672 72.2151 10.2379 in (null):R-9999 (3) and NE2(111) at 29.1295 72.9975 8.52031 in (null):Q-9999 (13) other bump:2.97213 Ang CZ(28) at 27.5531 70.9978 10.7799 in (null):R-9999 (3) and CD(109) at 29.7572 71.9224 9.01333 in (null):Q-9999 (13) other bump:2.43578 Ang NH1(29) at 27.672 72.2151 10.2379 in (null):R-9999 (3) and CD(109) at 29.7572 71.9224 9.01333 in (null):Q-9999 (13) self-bump: 2.15572 Ang CB(98) at 25.5514 69.5959 6.77782 in (null):K-9999 (12) and C(104) at 27.239 70.48 5.769 in (null):K-9999 (12) other bump:2.37015 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.7257 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.47714 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.61437 Ang C(32) at 20.603 72.773 10.127 in (null):R-9999 (3) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.15267 Ang O(38) at 19.883 73.495 6.982 in (null):V-9999 (4) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.76546 Ang C(39) at 18.997 73.618 7.833 in (null):V-9999 (4) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.56416 Ang CG(70) at 21.203 68.425 7.099 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.69445 Ang CD2(71) at 21.866 68.027 8.212 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.78667 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.35497 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.00064 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.5757 Ang CB(24) at 22.928 71.764 10.1114 in (null):R-9999 (3) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.70285 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.30663 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.85871 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.99148 Ang CB(24) at 22.928 71.764 10.1114 in (null):R-9999 (3) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.84715 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CG(99) at 24.0983 69.544 7.23514 in (null):K-9999 (12) self-bump: 1.27949 Ang CA(97) at 25.786 70.04 5.601 in (null):K-9999 (12) and CB(98) at 25.5514 69.5959 6.77782 in (null):K-9999 (12) T0136 59 :FDEVG 2pbg 146 :FEEFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 2 total=347 Number of alignments=151 # Reading fragments from alignment file # T0136 read from T0136-2pbg-simpleSW-adpstyle1.pw.a2m.gz # 2pbg read from T0136-2pbg-simpleSW-adpstyle1.pw.a2m.gz # found chain 2pbg in template set T0136 36 :EKQHSQGKQTARERLNNLLDPHSF 2pbg 121 :EALHSNGDFLNRENIEHFIDYAAF Fragment has 54 clashes (null) has 54 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.56921 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.6521 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:3.28374 Ang CA(144) at 28.631 78.64 10.096 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.9451 Ang C(150) at 29.515 79.72 10.705 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.00473 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:3.14637 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:2.06801 Ang OE1(25) at 24.7359 77.361 4.81201 in (null):Q-9999 (3) and OD1(140) at 25.9847 78.75 3.92443 in (null):N-9999 (17) other bump:2.62465 Ang C(44) at 21.577 69.701 1.258 in (null):S-9999 (5) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.41758 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.88132 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.64014 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.44591 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.75992 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.91139 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.18334 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.2748 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.75873 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.20048 Ang C(57) at 26.201 69.108 3.385 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.76239 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.39453 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.07226 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.55902 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.93791 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.26236 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:3.07848 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.24552 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.66157 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.86525 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.63333 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.82985 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.76172 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.69607 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.77087 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:1.70483 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:3.06196 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.88383 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:3.2463 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:2.50179 Ang O(65) at 27.606 71.579 5.348 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) self-bump: 2.15572 Ang CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) and C(66) at 27.239 70.48 5.769 in (null):K-9999 (8) other bump:2.37015 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.7257 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.15267 Ang O(0) at 19.883 73.495 6.982 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.47714 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.76546 Ang C(1) at 18.997 73.618 7.833 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.56416 Ang CG(32) at 21.203 68.425 7.099 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.69445 Ang CD2(33) at 21.866 68.027 8.212 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.78667 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.35497 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.00064 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.70285 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.30663 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.85871 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.84715 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CG(61) at 24.0983 69.544 7.23514 in (null):K-9999 (8) self-bump: 1.27949 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) Number of specific fragments= 1 total=348 Number of alignments=152 # Reading fragments from alignment file # T0136 read from T0136-2pbg-simpleSW-adpstyle5.pw.a2m.gz # 2pbg read from T0136-2pbg-simpleSW-adpstyle5.pw.a2m.gz # found chain 2pbg in template set T0136 38 :QHSQGKQTARERLNNLLDPHSF 2pbg 123 :LHSNGDFLNRENIEHFIDYAAF Fragment has 51 clashes (null) has 51 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.56921 Ang O(123) at 27.146 80.697 9.036 in (null):N-9999 (15) and CD(153) at 27.3374 81.6535 10.2652 in (null):P-9999 (19) other bump:2.6521 Ang C(124) at 27.771 79.968 8.264 in (null):N-9999 (15) and CD(153) at 27.3374 81.6535 10.2652 in (null):P-9999 (19) other bump:3.28374 Ang CA(126) at 28.631 78.64 10.096 in (null):L-9999 (16) and CD(153) at 27.3374 81.6535 10.2652 in (null):P-9999 (19) other bump:2.9451 Ang C(132) at 29.515 79.72 10.705 in (null):L-9999 (16) and CD(153) at 27.3374 81.6535 10.2652 in (null):P-9999 (19) other bump:2.00473 Ang O(123) at 27.146 80.697 9.036 in (null):N-9999 (15) and CG(152) at 26.0317 80.9981 10.6751 in (null):P-9999 (19) other bump:3.14637 Ang C(124) at 27.771 79.968 8.264 in (null):N-9999 (15) and CG(152) at 26.0317 80.9981 10.6751 in (null):P-9999 (19) other bump:2.62465 Ang C(26) at 21.577 69.701 1.258 in (null):S-9999 (3) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:1.41758 Ang N(27) at 22.062 70.937 1.338 in (null):Q-9999 (4) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:2.64014 Ang N(36) at 24.584 69.65 1.438 in (null):G-9999 (5) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:1.44591 Ang CA(28) at 23.148 71.426 0.492 in (null):Q-9999 (4) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:1.75992 Ang CB(29) at 22.7511 73.0404 0.727132 in (null):Q-9999 (4) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:1.91139 Ang C(35) at 24.527 70.911 1 in (null):Q-9999 (4) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:2.18334 Ang O(9) at 23.453 72.01 4.031 in (null):Q-9999 (1) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:2.88132 Ang C(10) at 22.498 72.493 4.624 in (null):Q-9999 (1) and NH2(98) at 23.0696 71.7636 1.89576 in (null):R-9999 (12) other bump:1.2748 Ang N(36) at 24.584 69.65 1.438 in (null):G-9999 (5) and NH1(97) at 24.9502 70.5386 2.27551 in (null):R-9999 (12) other bump:1.75873 Ang CA(37) at 25.835 69.065 1.903 in (null):G-9999 (5) and NH1(97) at 24.9502 70.5386 2.27551 in (null):R-9999 (12) other bump:2.20048 Ang C(39) at 26.201 69.108 3.385 in (null):G-9999 (5) and NH1(97) at 24.9502 70.5386 2.27551 in (null):R-9999 (12) other bump:1.76239 Ang O(34) at 25.505 71.663 1.037 in (null):Q-9999 (4) and NH1(97) at 24.9502 70.5386 2.27551 in (null):R-9999 (12) other bump:1.39453 Ang C(35) at 24.527 70.911 1 in (null):Q-9999 (4) and NH1(97) at 24.9502 70.5386 2.27551 in (null):R-9999 (12) other bump:2.07226 Ang N(40) at 25.499 69.912 4.173 in (null):K-9999 (6) and NH1(97) at 24.9502 70.5386 2.27551 in (null):R-9999 (12) other bump:2.55902 Ang N(27) at 22.062 70.937 1.338 in (null):Q-9999 (4) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:2.26236 Ang N(36) at 24.584 69.65 1.438 in (null):G-9999 (5) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:3.07848 Ang CA(37) at 25.835 69.065 1.903 in (null):G-9999 (5) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:2.24552 Ang CA(28) at 23.148 71.426 0.492 in (null):Q-9999 (4) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:2.66157 Ang CB(29) at 22.7511 73.0404 0.727132 in (null):Q-9999 (4) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:1.86525 Ang O(34) at 25.505 71.663 1.037 in (null):Q-9999 (4) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:1.63333 Ang C(35) at 24.527 70.911 1 in (null):Q-9999 (4) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:1.82985 Ang O(9) at 23.453 72.01 4.031 in (null):Q-9999 (1) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:2.93791 Ang C(10) at 22.498 72.493 4.624 in (null):Q-9999 (1) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:2.76172 Ang N(40) at 25.499 69.912 4.173 in (null):K-9999 (6) and CZ(96) at 24.262 71.6587 2.42775 in (null):R-9999 (12) other bump:2.77087 Ang C(35) at 24.527 70.911 1 in (null):Q-9999 (4) and NE(95) at 24.7283 72.6824 3.12115 in (null):R-9999 (12) other bump:1.70483 Ang O(9) at 23.453 72.01 4.031 in (null):Q-9999 (1) and NE(95) at 24.7283 72.6824 3.12115 in (null):R-9999 (12) other bump:2.69607 Ang C(10) at 22.498 72.493 4.624 in (null):Q-9999 (1) and NE(95) at 24.7283 72.6824 3.12115 in (null):R-9999 (12) other bump:3.06196 Ang N(40) at 25.499 69.912 4.173 in (null):K-9999 (6) and NE(95) at 24.7283 72.6824 3.12115 in (null):R-9999 (12) other bump:2.88383 Ang N(40) at 25.499 69.912 4.173 in (null):K-9999 (6) and CD(94) at 26.0199 72.722 3.787 in (null):R-9999 (12) other bump:3.2463 Ang CA(41) at 25.786 70.04 5.601 in (null):K-9999 (6) and CD(94) at 26.0199 72.722 3.787 in (null):R-9999 (12) other bump:2.50179 Ang O(47) at 27.606 71.579 5.348 in (null):K-9999 (6) and CD(94) at 26.0199 72.722 3.787 in (null):R-9999 (12) self-bump: 2.15572 Ang CB(42) at 25.5514 69.5959 6.77782 in (null):K-9999 (6) and C(48) at 27.239 70.48 5.769 in (null):K-9999 (6) other bump:2.37015 Ang N(11) at 21.687 71.781 5.4 in (null):H-9999 (2) and NZ(46) at 21.2162 71.9721 7.71505 in (null):K-9999 (6) other bump:2.7257 Ang CA(12) at 21.901 70.366 5.622 in (null):H-9999 (2) and NZ(46) at 21.2162 71.9721 7.71505 in (null):K-9999 (6) other bump:2.47714 Ang CB(13) at 20.861 69.794 6.59 in (null):H-9999 (2) and NZ(46) at 21.2162 71.9721 7.71505 in (null):K-9999 (6) other bump:2.56416 Ang CG(14) at 21.203 68.425 7.099 in (null):H-9999 (2) and CE(45) at 22.0116 70.7047 7.94986 in (null):K-9999 (6) other bump:2.69445 Ang CD2(15) at 21.866 68.027 8.212 in (null):H-9999 (2) and CE(45) at 22.0116 70.7047 7.94986 in (null):K-9999 (6) other bump:2.78667 Ang N(11) at 21.687 71.781 5.4 in (null):H-9999 (2) and CE(45) at 22.0116 70.7047 7.94986 in (null):K-9999 (6) other bump:2.35497 Ang CA(12) at 21.901 70.366 5.622 in (null):H-9999 (2) and CE(45) at 22.0116 70.7047 7.94986 in (null):K-9999 (6) other bump:2.00064 Ang CB(13) at 20.861 69.794 6.59 in (null):H-9999 (2) and CE(45) at 22.0116 70.7047 7.94986 in (null):K-9999 (6) other bump:2.70285 Ang N(11) at 21.687 71.781 5.4 in (null):H-9999 (2) and CD(44) at 23.405 70.8947 7.28902 in (null):K-9999 (6) other bump:2.30663 Ang CA(12) at 21.901 70.366 5.622 in (null):H-9999 (2) and CD(44) at 23.405 70.8947 7.28902 in (null):K-9999 (6) other bump:2.85871 Ang CB(13) at 20.861 69.794 6.59 in (null):H-9999 (2) and CD(44) at 23.405 70.8947 7.28902 in (null):K-9999 (6) other bump:2.84715 Ang CA(12) at 21.901 70.366 5.622 in (null):H-9999 (2) and CG(43) at 24.0983 69.544 7.23514 in (null):K-9999 (6) self-bump: 1.27949 Ang CA(41) at 25.786 70.04 5.601 in (null):K-9999 (6) and CB(42) at 25.5514 69.5959 6.77782 in (null):K-9999 (6) Number of specific fragments= 1 total=349 Number of alignments=153 # Reading fragments from alignment file # T0136 read from T0136-2pbg-vit-adpstyle1.pw.a2m.gz # 2pbg read from T0136-2pbg-vit-adpstyle1.pw.a2m.gz # found chain 2pbg in template set T0136 36 :EKQHSQGKQTARERLNNLLDPHSFD 2pbg 121 :EALHSNGDFLNRENIEHFIDYAAFC Fragment has 54 clashes (null) has 54 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.56921 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.6521 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:3.28374 Ang CA(144) at 28.631 78.64 10.096 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.9451 Ang C(150) at 29.515 79.72 10.705 in (null):L-9999 (18) and CD(171) at 27.3374 81.6535 10.2652 in (null):P-9999 (21) other bump:2.00473 Ang O(141) at 27.146 80.697 9.036 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:3.14637 Ang C(142) at 27.771 79.968 8.264 in (null):N-9999 (17) and CG(170) at 26.0317 80.9981 10.6751 in (null):P-9999 (21) other bump:2.06801 Ang OE1(25) at 24.7359 77.361 4.81201 in (null):Q-9999 (3) and OD1(140) at 25.9847 78.75 3.92443 in (null):N-9999 (17) other bump:2.62465 Ang C(44) at 21.577 69.701 1.258 in (null):S-9999 (5) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.41758 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.88132 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.64014 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.44591 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.75992 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.91139 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:2.18334 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NH2(116) at 23.0696 71.7636 1.89576 in (null):R-9999 (14) other bump:1.2748 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.75873 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.20048 Ang C(57) at 26.201 69.108 3.385 in (null):G-9999 (7) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.76239 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:1.39453 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.07226 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NH1(115) at 24.9502 70.5386 2.27551 in (null):R-9999 (14) other bump:2.55902 Ang N(45) at 22.062 70.937 1.338 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.93791 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.26236 Ang N(54) at 24.584 69.65 1.438 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:3.07848 Ang CA(55) at 25.835 69.065 1.903 in (null):G-9999 (7) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.24552 Ang CA(46) at 23.148 71.426 0.492 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.66157 Ang CB(47) at 22.7511 73.0404 0.727132 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.86525 Ang O(52) at 25.505 71.663 1.037 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.63333 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:1.82985 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.76172 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CZ(114) at 24.262 71.6587 2.42775 in (null):R-9999 (14) other bump:2.69607 Ang C(28) at 22.498 72.493 4.624 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.77087 Ang C(53) at 24.527 70.911 1 in (null):Q-9999 (6) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:1.70483 Ang O(27) at 23.453 72.01 4.031 in (null):Q-9999 (3) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:3.06196 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and NE(113) at 24.7283 72.6824 3.12115 in (null):R-9999 (14) other bump:2.88383 Ang N(58) at 25.499 69.912 4.173 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:3.2463 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) other bump:2.50179 Ang O(65) at 27.606 71.579 5.348 in (null):K-9999 (8) and CD(112) at 26.0199 72.722 3.787 in (null):R-9999 (14) self-bump: 2.15572 Ang CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) and C(66) at 27.239 70.48 5.769 in (null):K-9999 (8) other bump:2.37015 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.7257 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.47714 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.15267 Ang O(0) at 19.883 73.495 6.982 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.76546 Ang C(1) at 18.997 73.618 7.833 in (null):G-9999 (0) and NZ(64) at 21.2162 71.9721 7.71505 in (null):K-9999 (8) other bump:2.56416 Ang CG(32) at 21.203 68.425 7.099 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.69445 Ang CD2(33) at 21.866 68.027 8.212 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.78667 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.35497 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.00064 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CE(63) at 22.0116 70.7047 7.94986 in (null):K-9999 (8) other bump:2.70285 Ang N(29) at 21.687 71.781 5.4 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.30663 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.85871 Ang CB(31) at 20.861 69.794 6.59 in (null):H-9999 (4) and CD(62) at 23.405 70.8947 7.28902 in (null):K-9999 (8) other bump:2.84715 Ang CA(30) at 21.901 70.366 5.622 in (null):H-9999 (4) and CG(61) at 24.0983 69.544 7.23514 in (null):K-9999 (8) self-bump: 1.27949 Ang CA(59) at 25.786 70.04 5.601 in (null):K-9999 (8) and CB(60) at 25.5514 69.5959 6.77782 in (null):K-9999 (8) Number of specific fragments= 1 total=350 Number of alignments=154 # Reading fragments from alignment file # T0136 read from T0136-2pbg-vit-adpstyle5.pw.a2m.gz # 2pbg read from T0136-2pbg-vit-adpstyle5.pw.a2m.gz # found chain 2pbg in template set T0136 32 :ERRVEKQHSQGKQTARERLNNLLDPHS 2pbg 117 :FDTPEALHSNGDFLNRENIEHFIDYAA Fragment has 60 clashes (null) has 60 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:1.56921 Ang O(179) at 27.146 80.697 9.036 in (null):N-9999 (21) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.6521 Ang C(180) at 27.771 79.968 8.264 in (null):N-9999 (21) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:3.28374 Ang CA(182) at 28.631 78.64 10.096 in (null):L-9999 (22) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.9451 Ang C(188) at 29.515 79.72 10.705 in (null):L-9999 (22) and CD(209) at 27.3374 81.6535 10.2652 in (null):P-9999 (25) other bump:2.00473 Ang O(179) at 27.146 80.697 9.036 in (null):N-9999 (21) and CG(208) at 26.0317 80.9981 10.6751 in (null):P-9999 (25) other bump:3.14637 Ang C(180) at 27.771 79.968 8.264 in (null):N-9999 (21) and CG(208) at 26.0317 80.9981 10.6751 in (null):P-9999 (25) other bump:2.06801 Ang OE1(63) at 24.7359 77.361 4.81201 in (null):Q-9999 (7) and OD1(178) at 25.9847 78.75 3.92443 in (null):N-9999 (21) other bump:2.62465 Ang C(82) at 21.577 69.701 1.258 in (null):S-9999 (9) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.41758 Ang N(83) at 22.062 70.937 1.338 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.88132 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.44591 Ang CA(84) at 23.148 71.426 0.492 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.75992 Ang CB(85) at 22.7511 73.0404 0.727132 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.91139 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.64014 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:2.18334 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and NH2(154) at 23.0696 71.7636 1.89576 in (null):R-9999 (18) other bump:1.76239 Ang O(90) at 25.505 71.663 1.037 in (null):Q-9999 (10) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.39453 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.2748 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:1.75873 Ang CA(93) at 25.835 69.065 1.903 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.20048 Ang C(95) at 26.201 69.108 3.385 in (null):G-9999 (11) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.07226 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and NH1(153) at 24.9502 70.5386 2.27551 in (null):R-9999 (18) other bump:2.55902 Ang N(83) at 22.062 70.937 1.338 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.93791 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.24552 Ang CA(84) at 23.148 71.426 0.492 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.66157 Ang CB(85) at 22.7511 73.0404 0.727132 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.86525 Ang O(90) at 25.505 71.663 1.037 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.63333 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.26236 Ang N(92) at 24.584 69.65 1.438 in (null):G-9999 (11) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:3.07848 Ang CA(93) at 25.835 69.065 1.903 in (null):G-9999 (11) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:1.82985 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.76172 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and CZ(152) at 24.262 71.6587 2.42775 in (null):R-9999 (18) other bump:2.69607 Ang C(66) at 22.498 72.493 4.624 in (null):Q-9999 (7) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:2.77087 Ang C(91) at 24.527 70.911 1 in (null):Q-9999 (10) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:1.70483 Ang O(65) at 23.453 72.01 4.031 in (null):Q-9999 (7) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:3.06196 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and NE(151) at 24.7283 72.6824 3.12115 in (null):R-9999 (18) other bump:2.88383 Ang N(96) at 25.499 69.912 4.173 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:3.2463 Ang CA(97) at 25.786 70.04 5.601 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:2.50179 Ang O(103) at 27.606 71.579 5.348 in (null):K-9999 (12) and CD(150) at 26.0199 72.722 3.787 in (null):R-9999 (18) other bump:2.38462 Ang NH1(29) at 27.672 72.2151 10.2379 in (null):R-9999 (3) and NE2(111) at 29.1295 72.9975 8.52031 in (null):Q-9999 (13) other bump:2.97213 Ang CZ(28) at 27.5531 70.9978 10.7799 in (null):R-9999 (3) and CD(109) at 29.7572 71.9224 9.01333 in (null):Q-9999 (13) other bump:2.43578 Ang NH1(29) at 27.672 72.2151 10.2379 in (null):R-9999 (3) and CD(109) at 29.7572 71.9224 9.01333 in (null):Q-9999 (13) self-bump: 2.15572 Ang CB(98) at 25.5514 69.5959 6.77782 in (null):K-9999 (12) and C(104) at 27.239 70.48 5.769 in (null):K-9999 (12) other bump:2.37015 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.7257 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.47714 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.61437 Ang C(32) at 20.603 72.773 10.127 in (null):R-9999 (3) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.15267 Ang O(38) at 19.883 73.495 6.982 in (null):V-9999 (4) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.76546 Ang C(39) at 18.997 73.618 7.833 in (null):V-9999 (4) and NZ(102) at 21.2162 71.9721 7.71505 in (null):K-9999 (12) other bump:2.56416 Ang CG(70) at 21.203 68.425 7.099 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.69445 Ang CD2(71) at 21.866 68.027 8.212 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.78667 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.35497 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.00064 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.5757 Ang CB(24) at 22.928 71.764 10.1114 in (null):R-9999 (3) and CE(101) at 22.0116 70.7047 7.94986 in (null):K-9999 (12) other bump:2.70285 Ang N(67) at 21.687 71.781 5.4 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.30663 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.85871 Ang CB(69) at 20.861 69.794 6.59 in (null):H-9999 (8) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.99148 Ang CB(24) at 22.928 71.764 10.1114 in (null):R-9999 (3) and CD(100) at 23.405 70.8947 7.28902 in (null):K-9999 (12) other bump:2.84715 Ang CA(68) at 21.901 70.366 5.622 in (null):H-9999 (8) and CG(99) at 24.0983 69.544 7.23514 in (null):K-9999 (12) self-bump: 1.27949 Ang CA(97) at 25.786 70.04 5.601 in (null):K-9999 (12) and CB(98) at 25.5514 69.5959 6.77782 in (null):K-9999 (12) T0136 59 :FDEVG 2pbg 146 :FEEFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 2 total=352 Number of alignments=155 # command:# Prefix for input files set to 1fwgC/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-1fwgC-local-adpstyle1.pw.a2m.gz # 1fwgC read from T0136-1fwgC-local-adpstyle1.pw.a2m.gz # found chain 1fwgC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1fwgC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.76507 Ang OE1(98) at 47.8468 87.3855 107.359 in (null):Q-9999 (13) and CB(112) at 47.685 84.63 107.196 in (null):A-9999 (15) other bump:2.60677 Ang CD(88) at 43.5973 91.0698 101.153 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) other bump:2.16153 Ang OE1(89) at 44.3774 90.6516 100.271 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) self-bump: 2.13177 Ang CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) and C(18) at 65.59 102.381 102.393 in (null):K-9999 (2) self-bump: 1.22801 Ang CA(11) at 65.29 101.19 101.479 in (null):K-9999 (2) and CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1fwgC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.73238 Ang CG(99) at 48.6154 67.4846 97.5346 in (null):Q-9999 (12) and CD(141) at 51.0569 68.7028 97.6805 in (null):R-9999 (17) other bump:2.39172 Ang CG(99) at 48.6154 67.4846 97.5346 in (null):Q-9999 (12) and CG(140) at 50.0203 69.2561 96.7546 in (null):R-9999 (17) other bump:2.40258 Ang CD(100) at 47.9113 68.7779 97.8013 in (null):Q-9999 (12) and CG(140) at 50.0203 69.2561 96.7546 in (null):R-9999 (17) other bump:2.49461 Ang NE(18) at 50.5418 75.3096 108.487 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.23941 Ang CD(17) at 51.9073 75.8003 108.733 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.60595 Ang C(23) at 54.855 72.962 109.018 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.62386 Ang CB(15) at 54.0524 75.1474 109.895 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:1.91265 Ang CG(16) at 52.5405 75.021 109.877 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.28634 Ang O(22) at 54.106 71.991 108.96 in (null):R-9999 (2) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:2.67342 Ang C(23) at 54.855 72.962 109.018 in (null):R-9999 (2) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:3.0338 Ang N(24) at 55.678 73.288 108.021 in (null):V-9999 (3) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:3.05366 Ang CA(25) at 55.69 72.507 106.773 in (null):V-9999 (3) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) self-bump: 1.30451 Ang CA(59) at 51.08 68.942 109.317 in (null):H-9999 (7) and CB(60) at 51.5308 69.5494 110.38 in (null):H-9999 (7) Number of specific fragments= 2 total=354 Number of alignments=156 # Reading fragments from alignment file # T0136 read from T0136-1fwgC-local-adpstyle5.pw.a2m.gz # 1fwgC read from T0136-1fwgC-local-adpstyle5.pw.a2m.gz # found chain 1fwgC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1fwgC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.09015 Ang CG(171) at 58.514 79.0402 110.025 in (null):E-9999 (22) and OE1(199) at 59.2086 77.1568 110.608 in (null):E-9999 (27) other bump:2.53496 Ang CD(172) at 58.7527 79.5087 111.436 in (null):E-9999 (22) and OE1(199) at 59.2086 77.1568 110.608 in (null):E-9999 (27) other bump:2.9668 Ang C(181) at 60.86 76.041 107.993 in (null):A-9999 (23) and CD(198) at 60.1796 76.4257 110.855 in (null):E-9999 (27) other bump:3.27746 Ang CA(183) at 62.443 74.685 109.246 in (null):G-9999 (24) and CD(198) at 60.1796 76.4257 110.855 in (null):E-9999 (27) other bump:2.23957 Ang N(182) at 61.264 74.844 108.416 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.44943 Ang O(184) at 61.301 72.817 110.246 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.6861 Ang C(181) at 60.86 76.041 107.993 in (null):A-9999 (23) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.54702 Ang CA(183) at 62.443 74.685 109.246 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.61387 Ang C(185) at 62.326 73.511 110.202 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.76507 Ang OE1(98) at 47.8468 87.3855 107.359 in (null):Q-9999 (13) and CB(112) at 47.685 84.63 107.196 in (null):A-9999 (15) other bump:2.60677 Ang CD(88) at 43.5973 91.0698 101.153 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) other bump:2.16153 Ang OE1(89) at 44.3774 90.6516 100.271 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) self-bump: 2.13177 Ang CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) and C(18) at 65.59 102.381 102.393 in (null):K-9999 (2) self-bump: 1.22801 Ang CA(11) at 65.29 101.19 101.479 in (null):K-9999 (2) and CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1fwgC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.81227 Ang CB(179) at 55.4193 80.7542 103.112 in (null):D-9999 (22) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) self-bump: 2.21706 Ang CA(186) at 54.486 85.105 104.146 in (null):P-9999 (23) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) neighbor-bump: 1.8119 Ang C(184) at 55.703 83.36 102.905 in (null):D-9999 (22) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) other bump:2.73238 Ang CG(88) at 48.6154 67.4846 97.5346 in (null):Q-9999 (11) and CD(130) at 51.0569 68.7028 97.6805 in (null):R-9999 (16) other bump:2.39172 Ang CG(88) at 48.6154 67.4846 97.5346 in (null):Q-9999 (11) and CG(129) at 50.0203 69.2561 96.7546 in (null):R-9999 (16) other bump:2.40258 Ang CD(89) at 47.9113 68.7779 97.8013 in (null):Q-9999 (11) and CG(129) at 50.0203 69.2561 96.7546 in (null):R-9999 (16) other bump:2.60595 Ang C(12) at 54.855 72.962 109.018 in (null):R-9999 (1) and OG(60) at 52.3675 73.6131 108.594 in (null):S-9999 (7) other bump:2.44612 Ang CB(4) at 53.79 74.8966 110.115 in (null):R-9999 (1) and OG(60) at 52.3675 73.6131 108.594 in (null):S-9999 (7) other bump:2.28634 Ang O(11) at 54.106 71.991 108.96 in (null):R-9999 (1) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:2.67342 Ang C(12) at 54.855 72.962 109.018 in (null):R-9999 (1) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:3.0338 Ang N(13) at 55.678 73.288 108.021 in (null):V-9999 (2) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:3.05366 Ang CA(14) at 55.69 72.507 106.773 in (null):V-9999 (2) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) self-bump: 1.30451 Ang CA(48) at 51.08 68.942 109.317 in (null):H-9999 (6) and CB(49) at 51.5308 69.5494 110.38 in (null):H-9999 (6) Number of specific fragments= 2 total=356 Number of alignments=157 # Reading fragments from alignment file # T0136 read from T0136-1fwgC-simpleSW-adpstyle1.pw.a2m.gz # 1fwgC read from T0136-1fwgC-simpleSW-adpstyle1.pw.a2m.gz # found chain 1fwgC in template set T0136 17 :EQLAEQRQVIEAGG 1fwgC 117 :EVIAAEGKIVTAGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=357 # Reading fragments from alignment file # T0136 read from T0136-1fwgC-simpleSW-adpstyle5.pw.a2m.gz # 1fwgC read from T0136-1fwgC-simpleSW-adpstyle5.pw.a2m.gz # found chain 1fwgC in template set T0136 17 :EQLAEQRQVIEAGGGER 1fwgC 117 :EVIAAEGKIVTAGGIDT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues Number of specific fragments= 1 total=358 # Reading fragments from alignment file # T0136 read from T0136-1fwgC-vit-adpstyle1.pw.a2m.gz # 1fwgC read from T0136-1fwgC-vit-adpstyle1.pw.a2m.gz # found chain 1fwgC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1fwgC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.76507 Ang OE1(98) at 47.8468 87.3855 107.359 in (null):Q-9999 (13) and CB(112) at 47.685 84.63 107.196 in (null):A-9999 (15) other bump:2.60677 Ang CD(88) at 43.5973 91.0698 101.153 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) other bump:2.16153 Ang OE1(89) at 44.3774 90.6516 100.271 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) self-bump: 2.13177 Ang CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) and C(18) at 65.59 102.381 102.393 in (null):K-9999 (2) self-bump: 1.22801 Ang CA(11) at 65.29 101.19 101.479 in (null):K-9999 (2) and CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1fwgC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.73238 Ang CG(99) at 48.6154 67.4846 97.5346 in (null):Q-9999 (12) and CD(141) at 51.0569 68.7028 97.6805 in (null):R-9999 (17) other bump:2.39172 Ang CG(99) at 48.6154 67.4846 97.5346 in (null):Q-9999 (12) and CG(140) at 50.0203 69.2561 96.7546 in (null):R-9999 (17) other bump:2.40258 Ang CD(100) at 47.9113 68.7779 97.8013 in (null):Q-9999 (12) and CG(140) at 50.0203 69.2561 96.7546 in (null):R-9999 (17) other bump:2.49461 Ang NE(18) at 50.5418 75.3096 108.487 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.23941 Ang CD(17) at 51.9073 75.8003 108.733 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.60595 Ang C(23) at 54.855 72.962 109.018 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.62386 Ang CB(15) at 54.0524 75.1474 109.895 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:1.91265 Ang CG(16) at 52.5405 75.021 109.877 in (null):R-9999 (2) and OG(71) at 52.3675 73.6131 108.594 in (null):S-9999 (8) other bump:2.28634 Ang O(22) at 54.106 71.991 108.96 in (null):R-9999 (2) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:2.67342 Ang C(23) at 54.855 72.962 109.018 in (null):R-9999 (2) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:3.0338 Ang N(24) at 55.678 73.288 108.021 in (null):V-9999 (3) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) other bump:3.05366 Ang CA(25) at 55.69 72.507 106.773 in (null):V-9999 (3) and CB(70) at 52.7308 72.9328 107.395 in (null):S-9999 (8) self-bump: 1.30451 Ang CA(59) at 51.08 68.942 109.317 in (null):H-9999 (7) and CB(60) at 51.5308 69.5494 110.38 in (null):H-9999 (7) Number of specific fragments= 2 total=360 Number of alignments=158 # Reading fragments from alignment file # T0136 read from T0136-1fwgC-vit-adpstyle5.pw.a2m.gz # 1fwgC read from T0136-1fwgC-vit-adpstyle5.pw.a2m.gz # found chain 1fwgC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1fwgC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.09015 Ang CG(171) at 58.514 79.0402 110.025 in (null):E-9999 (22) and OE1(199) at 59.2086 77.1568 110.608 in (null):E-9999 (27) other bump:2.53496 Ang CD(172) at 58.7527 79.5087 111.436 in (null):E-9999 (22) and OE1(199) at 59.2086 77.1568 110.608 in (null):E-9999 (27) other bump:2.9668 Ang C(181) at 60.86 76.041 107.993 in (null):A-9999 (23) and CD(198) at 60.1796 76.4257 110.855 in (null):E-9999 (27) other bump:3.27746 Ang CA(183) at 62.443 74.685 109.246 in (null):G-9999 (24) and CD(198) at 60.1796 76.4257 110.855 in (null):E-9999 (27) other bump:2.23957 Ang N(182) at 61.264 74.844 108.416 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.44943 Ang O(184) at 61.301 72.817 110.246 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.6861 Ang C(181) at 60.86 76.041 107.993 in (null):A-9999 (23) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.54702 Ang CA(183) at 62.443 74.685 109.246 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.61387 Ang C(185) at 62.326 73.511 110.202 in (null):G-9999 (24) and CG(197) at 60.1772 74.99 110.369 in (null):E-9999 (27) other bump:2.76507 Ang OE1(98) at 47.8468 87.3855 107.359 in (null):Q-9999 (13) and CB(112) at 47.685 84.63 107.196 in (null):A-9999 (15) other bump:2.60677 Ang CD(88) at 43.5973 91.0698 101.153 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) other bump:2.16153 Ang OE1(89) at 44.3774 90.6516 100.271 in (null):E-9999 (12) and CD1(106) at 45.051 88.917 101.371 in (null):L-9999 (14) self-bump: 2.13177 Ang CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) and C(18) at 65.59 102.381 102.393 in (null):K-9999 (2) self-bump: 1.22801 Ang CA(11) at 65.29 101.19 101.479 in (null):K-9999 (2) and CB(12) at 66.3959 101.005 100.978 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1fwgC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.81227 Ang CB(179) at 55.4193 80.7542 103.112 in (null):D-9999 (22) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) self-bump: 2.21706 Ang CA(186) at 54.486 85.105 104.146 in (null):P-9999 (23) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) neighbor-bump: 1.8119 Ang C(184) at 55.703 83.36 102.905 in (null):D-9999 (22) and CD(189) at 55.2954 83.1039 104.652 in (null):P-9999 (23) other bump:2.73238 Ang CG(88) at 48.6154 67.4846 97.5346 in (null):Q-9999 (11) and CD(130) at 51.0569 68.7028 97.6805 in (null):R-9999 (16) other bump:2.39172 Ang CG(88) at 48.6154 67.4846 97.5346 in (null):Q-9999 (11) and CG(129) at 50.0203 69.2561 96.7546 in (null):R-9999 (16) other bump:2.40258 Ang CD(89) at 47.9113 68.7779 97.8013 in (null):Q-9999 (11) and CG(129) at 50.0203 69.2561 96.7546 in (null):R-9999 (16) other bump:2.60595 Ang C(12) at 54.855 72.962 109.018 in (null):R-9999 (1) and OG(60) at 52.3675 73.6131 108.594 in (null):S-9999 (7) other bump:2.44612 Ang CB(4) at 53.79 74.8966 110.115 in (null):R-9999 (1) and OG(60) at 52.3675 73.6131 108.594 in (null):S-9999 (7) other bump:2.28634 Ang O(11) at 54.106 71.991 108.96 in (null):R-9999 (1) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:2.67342 Ang C(12) at 54.855 72.962 109.018 in (null):R-9999 (1) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:3.0338 Ang N(13) at 55.678 73.288 108.021 in (null):V-9999 (2) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) other bump:3.05366 Ang CA(14) at 55.69 72.507 106.773 in (null):V-9999 (2) and CB(59) at 52.7308 72.9328 107.395 in (null):S-9999 (7) self-bump: 1.30451 Ang CA(48) at 51.08 68.942 109.317 in (null):H-9999 (6) and CB(49) at 51.5308 69.5494 110.38 in (null):H-9999 (6) Number of specific fragments= 2 total=362 Number of alignments=159 # command:# Prefix for input files set to 1krbC/ # command:# reading script from file read-alignments.under # Reading fragments from alignment file # T0136 read from T0136-1krbC-local-adpstyle1.pw.a2m.gz # 1krbC read from T0136-1krbC-local-adpstyle1.pw.a2m.gz # found chain 1krbC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1krbC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.77683 Ang OE1(98) at 47.9485 87.4129 107.392 in (null):Q-9999 (13) and CB(112) at 47.854 84.643 107.22 in (null):A-9999 (15) other bump:3.01189 Ang CD(88) at 43.4989 91.2061 101.311 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) other bump:2.44523 Ang OE1(89) at 44.2143 90.7874 100.377 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) self-bump: 2.14181 Ang CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) and C(18) at 65.632 102.434 102.407 in (null):K-9999 (2) self-bump: 1.24042 Ang CA(11) at 65.318 101.255 101.5 in (null):K-9999 (2) and CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1krbC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.91135 Ang OE1(101) at 45.3597 66.5416 96.6206 in (null):Q-9999 (12) and CB(130) at 46.4028 67.5877 94.1119 in (null):E-9999 (16) other bump:2.41039 Ang NE(18) at 50.7341 75.2779 108.926 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:1.98976 Ang CG(16) at 52.821 75.024 110.187 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.26111 Ang CD(17) at 52.0992 75.8011 109.095 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.7466 Ang C(23) at 55.121 73.046 109.158 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.33874 Ang O(22) at 54.413 72.039 109.135 in (null):R-9999 (2) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:2.71934 Ang C(23) at 55.121 73.046 109.158 in (null):R-9999 (2) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:3.05432 Ang N(24) at 55.837 73.447 108.11 in (null):V-9999 (3) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:3.07991 Ang CA(25) at 55.818 72.687 106.862 in (null):V-9999 (3) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) self-bump: 1.32433 Ang CA(59) at 51.144 69.011 109.46 in (null):H-9999 (7) and CB(60) at 51.7163 69.5415 110.53 in (null):H-9999 (7) Number of specific fragments= 2 total=364 Number of alignments=160 # Reading fragments from alignment file # T0136 read from T0136-1krbC-local-adpstyle5.pw.a2m.gz # 1krbC read from T0136-1krbC-local-adpstyle5.pw.a2m.gz # found chain 1krbC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1krbC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.23111 Ang CG(171) at 58.6417 79.067 110.019 in (null):E-9999 (22) and OE1(199) at 59.6482 77.1317 110.487 in (null):E-9999 (27) other bump:2.66614 Ang CD(172) at 58.8842 79.5018 111.44 in (null):E-9999 (22) and OE1(199) at 59.6482 77.1317 110.487 in (null):E-9999 (27) other bump:2.84388 Ang N(182) at 61.565 75.041 108.388 in (null):G-9999 (24) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:2.78508 Ang C(181) at 61.104 76.212 107.974 in (null):A-9999 (23) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:3.03841 Ang CA(183) at 62.785 74.93 109.162 in (null):G-9999 (24) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:2.14431 Ang N(182) at 61.565 75.041 108.388 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.21727 Ang O(184) at 61.675 73.032 110.129 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.68709 Ang C(181) at 61.104 76.212 107.974 in (null):A-9999 (23) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.50761 Ang CA(183) at 62.785 74.93 109.162 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.49879 Ang C(185) at 62.706 73.711 110.064 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.77683 Ang OE1(98) at 47.9485 87.4129 107.392 in (null):Q-9999 (13) and CB(112) at 47.854 84.643 107.22 in (null):A-9999 (15) other bump:3.01189 Ang CD(88) at 43.4989 91.2061 101.311 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) other bump:2.44523 Ang OE1(89) at 44.2143 90.7874 100.377 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) self-bump: 2.14181 Ang CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) and C(18) at 65.632 102.434 102.407 in (null):K-9999 (2) self-bump: 1.24042 Ang CA(11) at 65.318 101.255 101.5 in (null):K-9999 (2) and CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1krbC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.84231 Ang CB(179) at 55.3837 80.7016 103.155 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) neighbor-bump: 1.77815 Ang C(184) at 55.764 83.317 103.027 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) self-bump: 2.22627 Ang CA(186) at 54.553 85.089 104.239 in (null):P-9999 (23) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) neighbor-bump: 2.41552 Ang O(183) at 56.835 83.917 103.043 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) other bump:2.91135 Ang OE1(90) at 45.3597 66.5416 96.6206 in (null):Q-9999 (11) and CB(119) at 46.4028 67.5877 94.1119 in (null):E-9999 (15) other bump:2.7466 Ang C(12) at 55.121 73.046 109.158 in (null):R-9999 (1) and OG(60) at 52.441 73.5767 108.876 in (null):S-9999 (7) other bump:2.58735 Ang CB(4) at 54.0883 74.9339 110.338 in (null):R-9999 (1) and OG(60) at 52.441 73.5767 108.876 in (null):S-9999 (7) other bump:2.33874 Ang O(11) at 54.413 72.039 109.135 in (null):R-9999 (1) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:2.71934 Ang C(12) at 55.121 73.046 109.158 in (null):R-9999 (1) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:3.07991 Ang CA(14) at 55.818 72.687 106.862 in (null):V-9999 (2) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:3.05432 Ang N(13) at 55.837 73.447 108.11 in (null):V-9999 (2) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) self-bump: 1.32433 Ang CA(48) at 51.144 69.011 109.46 in (null):H-9999 (6) and CB(49) at 51.7163 69.5415 110.53 in (null):H-9999 (6) Number of specific fragments= 2 total=366 Number of alignments=161 # Reading fragments from alignment file # T0136 read from T0136-1krbC-simpleSW-adpstyle1.pw.a2m.gz # 1krbC read from T0136-1krbC-simpleSW-adpstyle1.pw.a2m.gz # found chain 1krbC in template set T0136 17 :EQLAEQRQVIEAGG 1krbC 117 :EVIAAEGKIVTAGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 1 total=367 # Reading fragments from alignment file # T0136 read from T0136-1krbC-simpleSW-adpstyle5.pw.a2m.gz # 1krbC read from T0136-1krbC-simpleSW-adpstyle5.pw.a2m.gz # found chain 1krbC in template set T0136 16 :VEQLAEQRQVIEAGGGER 1krbC 116 :TEVIAAEGKIVTAGGIDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.39174 Ang CG2(6) at 55.3344 73.5617 97.8715 in (null):V-9999 (1) and NE2(24) at 56.3546 75.0178 99.4712 in (null):Q-9999 (3) Number of specific fragments= 1 total=368 # Reading fragments from alignment file # T0136 read from T0136-1krbC-vit-adpstyle1.pw.a2m.gz # 1krbC read from T0136-1krbC-vit-adpstyle1.pw.a2m.gz # found chain 1krbC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGG 1krbC 23 :LADTELWIEVEDDLTTYGEEVKFGGG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.77683 Ang OE1(98) at 47.9485 87.4129 107.392 in (null):Q-9999 (13) and CB(112) at 47.854 84.643 107.22 in (null):A-9999 (15) other bump:3.01189 Ang CD(88) at 43.4989 91.2061 101.311 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) other bump:2.44523 Ang OE1(89) at 44.2143 90.7874 100.377 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) self-bump: 2.14181 Ang CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) and C(18) at 65.632 102.434 102.407 in (null):K-9999 (2) self-bump: 1.24042 Ang CA(11) at 65.318 101.255 101.5 in (null):K-9999 (2) and CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) T0136 33 :RRVEKQHSQGKQTARERLNNLL 1krbC 49 :KVIRDGMGQGQMLAADCVDLVL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.91135 Ang OE1(101) at 45.3597 66.5416 96.6206 in (null):Q-9999 (12) and CB(130) at 46.4028 67.5877 94.1119 in (null):E-9999 (16) other bump:2.41039 Ang NE(18) at 50.7341 75.2779 108.926 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:1.98976 Ang CG(16) at 52.821 75.024 110.187 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.26111 Ang CD(17) at 52.0992 75.8011 109.095 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.7466 Ang C(23) at 55.121 73.046 109.158 in (null):R-9999 (2) and OG(71) at 52.441 73.5767 108.876 in (null):S-9999 (8) other bump:2.33874 Ang O(22) at 54.413 72.039 109.135 in (null):R-9999 (2) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:2.71934 Ang C(23) at 55.121 73.046 109.158 in (null):R-9999 (2) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:3.05432 Ang N(24) at 55.837 73.447 108.11 in (null):V-9999 (3) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) other bump:3.07991 Ang CA(25) at 55.818 72.687 106.862 in (null):V-9999 (3) and CB(70) at 52.8553 72.9648 107.656 in (null):S-9999 (8) self-bump: 1.32433 Ang CA(59) at 51.144 69.011 109.46 in (null):H-9999 (7) and CB(60) at 51.7163 69.5415 110.53 in (null):H-9999 (7) Number of specific fragments= 2 total=370 Number of alignments=162 # Reading fragments from alignment file # T0136 read from T0136-1krbC-vit-adpstyle5.pw.a2m.gz # 1krbC read from T0136-1krbC-vit-adpstyle5.pw.a2m.gz # found chain 1krbC in template set T0136 6 :LKLASTMEGRVEQLAEQRQVIEAGGGE 1krbC 23 :LADTELWIEVEDDLTTYGEEVKFGGGK Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.23111 Ang CG(171) at 58.6417 79.067 110.019 in (null):E-9999 (22) and OE1(199) at 59.6482 77.1317 110.487 in (null):E-9999 (27) other bump:2.66614 Ang CD(172) at 58.8842 79.5018 111.44 in (null):E-9999 (22) and OE1(199) at 59.6482 77.1317 110.487 in (null):E-9999 (27) other bump:2.84388 Ang N(182) at 61.565 75.041 108.388 in (null):G-9999 (24) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:2.78508 Ang C(181) at 61.104 76.212 107.974 in (null):A-9999 (23) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:3.03841 Ang CA(183) at 62.785 74.93 109.162 in (null):G-9999 (24) and CD(198) at 60.6053 76.3746 110.709 in (null):E-9999 (27) other bump:2.14431 Ang N(182) at 61.565 75.041 108.388 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.21727 Ang O(184) at 61.675 73.032 110.129 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.68709 Ang C(181) at 61.104 76.212 107.974 in (null):A-9999 (23) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.50761 Ang CA(183) at 62.785 74.93 109.162 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.49879 Ang C(185) at 62.706 73.711 110.064 in (null):G-9999 (24) and CG(197) at 60.5325 74.9275 110.264 in (null):E-9999 (27) other bump:2.77683 Ang OE1(98) at 47.9485 87.4129 107.392 in (null):Q-9999 (13) and CB(112) at 47.854 84.643 107.22 in (null):A-9999 (15) other bump:3.01189 Ang CD(88) at 43.4989 91.2061 101.311 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) other bump:2.44523 Ang OE1(89) at 44.2143 90.7874 100.377 in (null):E-9999 (12) and CD1(106) at 45.429 88.894 101.335 in (null):L-9999 (14) self-bump: 2.14181 Ang CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) and C(18) at 65.632 102.434 102.407 in (null):K-9999 (2) self-bump: 1.24042 Ang CA(11) at 65.318 101.255 101.5 in (null):K-9999 (2) and CB(12) at 66.4236 101.051 100.976 in (null):K-9999 (2) T0136 34 :RVEKQHSQGKQTARERLNNLLDP 1krbC 50 :VIRDGMGQGQMLAADCVDLVLTN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.84231 Ang CB(179) at 55.3837 80.7016 103.155 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) neighbor-bump: 1.77815 Ang C(184) at 55.764 83.317 103.027 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) self-bump: 2.22627 Ang CA(186) at 54.553 85.089 104.239 in (null):P-9999 (23) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) neighbor-bump: 2.41552 Ang O(183) at 56.835 83.917 103.043 in (null):D-9999 (22) and CD(189) at 55.3358 83.0646 104.734 in (null):P-9999 (23) other bump:2.91135 Ang OE1(90) at 45.3597 66.5416 96.6206 in (null):Q-9999 (11) and CB(119) at 46.4028 67.5877 94.1119 in (null):E-9999 (15) other bump:2.7466 Ang C(12) at 55.121 73.046 109.158 in (null):R-9999 (1) and OG(60) at 52.441 73.5767 108.876 in (null):S-9999 (7) other bump:2.58735 Ang CB(4) at 54.0883 74.9339 110.338 in (null):R-9999 (1) and OG(60) at 52.441 73.5767 108.876 in (null):S-9999 (7) other bump:2.33874 Ang O(11) at 54.413 72.039 109.135 in (null):R-9999 (1) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:2.71934 Ang C(12) at 55.121 73.046 109.158 in (null):R-9999 (1) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:3.07991 Ang CA(14) at 55.818 72.687 106.862 in (null):V-9999 (2) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) other bump:3.05432 Ang N(13) at 55.837 73.447 108.11 in (null):V-9999 (2) and CB(59) at 52.8553 72.9648 107.656 in (null):S-9999 (7) self-bump: 1.32433 Ang CA(48) at 51.144 69.011 109.46 in (null):H-9999 (6) and CB(49) at 51.7163 69.5415 110.53 in (null):H-9999 (6) Number of specific fragments= 2 total=372 Number of alignments=163 # command:# Prefix for input files set to # command:CPU_time= 46120 msec, elapsed time= 47733.6 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 163 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 164: T0136.rand+T0136-1furA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1furA at pool[119] 85.9177 cost/residue, 118 clashes 0.155637 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 163 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 164: T0136.rand+T0136-1furA-2track-...+1ivhA-T0136-local-adpstyle1.pw.a2m.gz:1ivhA at pool[75] 76.4577 cost/residue, 132 clashes # 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 163 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 164: T0136.try1-al2+T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1bpoA at pool[28] 73.4511 cost/residue, 234 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 163 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 164: T0136.try1-al2+T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1bpoA 73.4511 cost/residue, 234 clashes # 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 163 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 164: T0136.try1-al4+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[73] 73.4511 cost/residue, 234 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 163 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 164: T0136.try1-al4+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 73.4511 cost/residue, 234 clashes # 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 163 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 164: T0136.try1-al6 73.4511 cost/residue, 234 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 163 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 164: T0136.try1-al6+1furA-T0136-loc...+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz:1bpoA at pool[21] 73.2248 cost/residue, 123 clashes # 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 163 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 164: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[32] 72.6692 cost/residue, 122 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 163 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 164: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 72.6692 cost/residue, 122 clashes # 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 163 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 164: T0136.try1-al10 72.6692 cost/residue, 122 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 163 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 164: T0136.try1-al10 72.6692 cost/residue, 122 clashes # command:# naming current conformation T0136.try1-al12 # command:# command:# CostConform T0136.try1-al12 costs 72.6692 T0136.try1-al10 costs 72.6692 T0136.try1-al10 costs 72.6692 T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA costs 72.6692 T0136.try1-al8 costs 73.2248 T0136.try1-al6 costs 73.4511 T0136.try1-al6 costs 73.4511 T0136.try1-al4+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA costs 73.4511 T0136.try1-al4 costs 73.4511 T0136.try1-al2+T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1bpoA costs 73.4511 T0136.try1-al2 costs 76.4577 T0136.rand+T0136-1furA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1furA costs 85.9177 T0136.rand costs 115.636 # command:CPU_time= 115230 msec, elapsed time= 116885 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0136 read from T0136.t2k.frag # 1i49A.1.1 read from T0136.t2k.frag # adding 1i49A to template set 1i49A:# found chain 1i49A in template set T0136 1 :AENNNLKLA 1i49A 23 :SRTVDLELE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.73156 Ang OD1(27) at 68.4273 68.8182 36.0252 in (null):N-9999 (3) and CD2(43) at 66.447 70.047 37.45 in (null):L-9999 (5) Number of specific fragments= 1 total=373 # 1i4dA.1.1 read from T0136.t2k.frag # adding 1i4dA to template set 1i4dA:# found chain 1i4dA in template set T0136 1 :AENNNLKLA 1i4dA 23 :SRTVDLELE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.14813 Ang CG(25) at -21.9965 -21.6236 3.42124 in (null):N-9999 (3) and N(38) at -20.807 -18.795 2.718 in (null):L-9999 (5) Number of specific fragments= 1 total=374 # 1i4lA.1.1 read from T0136.t2k.frag # adding 1i4lA to template set 1i4lA:# found chain 1i4lA in template set T0136 1 :AENNNLKLA 1i4lA 23 :SRTVDLELE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=375 # 1bct.1.1 read from T0136.t2k.frag # adding 1bct to template set 1bct:# found chain 1bct in template set T0136 1 :AENNNLKLA 1bct 164 :RPEVASTFK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.7677 Ang O(3) at -17.549 7.156 6.29 in (null):A-9999 (0) and CD1(42) at -16.4343 8.45704 5.8546 in (null):L-9999 (5) other bump:2.81865 Ang CG(17) at -17.6705 9.98528 3.29584 in (null):N-9999 (2) and CG(41) at -15.5022 8.95254 4.77115 in (null):L-9999 (5) other bump:2.27447 Ang OD1(19) at -16.6161 9.36572 2.83163 in (null):N-9999 (2) and CG(41) at -15.5022 8.95254 4.77115 in (null):L-9999 (5) other bump:2.35969 Ang OD1(19) at -16.6161 9.36572 2.83163 in (null):N-9999 (2) and CB(40) at -15.1468 7.80561 3.81926 in (null):L-9999 (5) other bump:2.52259 Ang OD1(19) at -16.6161 9.36572 2.83163 in (null):N-9999 (2) and CA(39) at -14.397 8.183 2.631 in (null):L-9999 (5) other bump:1.97341 Ang OD1(19) at -16.6161 9.36572 2.83163 in (null):N-9999 (2) and N(38) at -15.066 9.057 1.65 in (null):L-9999 (5) self-bump: 1.33993 Ang CA(23) at -18.265 7.906 -1.212 in (null):N-9999 (3) and CB(24) at -18.7326 8.06993 -2.45695 in (null):N-9999 (3) Number of specific fragments= 1 total=376 # 1a92A.1.0 read from T0136.t2k.frag # adding 1a92A to template set 1a92A:# found chain 1a92A in template set T0136 1 :AENNNLKLA 1a92A 12 :GREDILEQW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.39102 Ang CB(2) at 77.4749 35.7728 -10.077 in (null):A-9999 (0) and N(5) at 77.04 37.334 -8.319 in (null):E-9999 (1) self-bump: 2.16355 Ang CB(2) at 77.4749 35.7728 -10.077 in (null):A-9999 (0) and C(4) at 78.234 37.424 -8.903 in (null):A-9999 (0) self-bump: 1.24719 Ang CA(1) at 78.541 36.414 -9.989 in (null):A-9999 (0) and CB(2) at 77.4749 35.7728 -10.077 in (null):A-9999 (0) Number of specific fragments= 1 total=377 # 1i4lA.1.0 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 3 :NNNLKLA 1i4lA 24 :RTVDLEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 1 total=378 # 1bct.2.2 read from T0136.t2k.frag # found chain 1bct in template set T0136 2 :ENNNLKLAS 1bct 165 :PEVASTFKV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7677 Ang O(0) at -17.549 7.156 6.29 in (null):G-9999 (0) and CD1(39) at -16.4343 8.45704 5.8546 in (null):L-9999 (5) other bump:2.81865 Ang CG(14) at -17.6705 9.98528 3.29584 in (null):N-9999 (2) and CG(38) at -15.5022 8.95254 4.77115 in (null):L-9999 (5) other bump:2.27447 Ang OD1(16) at -16.6161 9.36573 2.83163 in (null):N-9999 (2) and CG(38) at -15.5022 8.95254 4.77115 in (null):L-9999 (5) other bump:2.35969 Ang OD1(16) at -16.6161 9.36573 2.83163 in (null):N-9999 (2) and CB(37) at -15.1468 7.80561 3.81926 in (null):L-9999 (5) other bump:2.52259 Ang OD1(16) at -16.6161 9.36573 2.83163 in (null):N-9999 (2) and CA(36) at -14.397 8.183 2.631 in (null):L-9999 (5) other bump:1.97341 Ang OD1(16) at -16.6161 9.36573 2.83163 in (null):N-9999 (2) and N(35) at -15.066 9.057 1.65 in (null):L-9999 (5) self-bump: 1.33993 Ang CA(20) at -18.265 7.906 -1.212 in (null):N-9999 (3) and CB(21) at -18.7326 8.06993 -2.45695 in (null):N-9999 (3) Number of specific fragments= 1 total=379 # 1eerA.2.2 read from T0136.t2k.frag # adding 1eerA to template set 1eerA:# found chain 1eerA in template set T0136 2 :ENNNLKLAS 1eerA 3 :PRLICDSRV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41895 Ang C(1) at -33.988 16.185 97.707 in (null):G-9999 (0) and CD1(39) at -32.7159 18.1548 98.3012 in (null):L-9999 (5) other bump:2.1896 Ang CA(3) at -34.234 18.515 96.765 in (null):E-9999 (1) and CD1(39) at -32.7159 18.1548 98.3012 in (null):L-9999 (5) other bump:2.59042 Ang C(10) at -33.066 18.47 95.754 in (null):E-9999 (1) and CD1(39) at -32.7159 18.1548 98.3012 in (null):L-9999 (5) other bump:1.69983 Ang N(2) at -34.219 17.508 97.841 in (null):E-9999 (1) and CD1(39) at -32.7159 18.1548 98.3012 in (null):L-9999 (5) other bump:2.28962 Ang CB(4) at -34.0923 19.8757 97.6797 in (null):E-9999 (1) and CD1(39) at -32.7159 18.1548 98.3012 in (null):L-9999 (5) other bump:2.99137 Ang N(11) at -32.598 17.264 95.448 in (null):N-9999 (2) and CD1(39) at -32.7159 18.1548 98.3012 in (null):L-9999 (5) Number of specific fragments= 1 total=380 # 1a92A.2.2 read from T0136.t2k.frag # found chain 1a92A in template set T0136 2 :ENNNLKLAS 1a92A 14 :EDILEQWVS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65077 Ang ND2(15) at 83.5656 39.6727 -9.53107 in (null):N-9999 (2) and NZ(49) at 82.9097 42.2402 -9.46682 in (null):K-9999 (6) Number of specific fragments= 1 total=381 # 1i49A.2.2 read from T0136.t2k.frag # found chain 1i49A in template set T0136 2 :ENNNLKLAS 1i49A 24 :RTVDLELEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73157 Ang OD1(24) at 68.4273 68.8182 36.0252 in (null):N-9999 (3) and CD2(40) at 66.447 70.047 37.45 in (null):L-9999 (5) Number of specific fragments= 1 total=382 # 1i4dA.2.2 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 2 :ENNNLKLAS 1i4dA 24 :RTVDLELEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14813 Ang CG(22) at -21.9965 -21.6236 3.42124 in (null):N-9999 (3) and N(35) at -20.807 -18.795 2.718 in (null):L-9999 (5) Number of specific fragments= 1 total=383 # 1i4lA.2.2 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 2 :ENNNLKLAS 1i4lA 24 :RTVDLELEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=384 # 1bct.3.3 read from T0136.t2k.frag # found chain 1bct in template set T0136 3 :NNNLKLAST 1bct 166 :EVASTFKVL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81865 Ang CG(5) at -17.6705 9.98528 3.29583 in (null):N-9999 (1) and CG(29) at -15.5022 8.95254 4.77115 in (null):L-9999 (4) other bump:2.27447 Ang OD1(7) at -16.6161 9.36573 2.83163 in (null):N-9999 (1) and CG(29) at -15.5022 8.95254 4.77115 in (null):L-9999 (4) other bump:2.3597 Ang OD1(7) at -16.6161 9.36573 2.83163 in (null):N-9999 (1) and CB(28) at -15.1468 7.80561 3.81925 in (null):L-9999 (4) other bump:2.52259 Ang OD1(7) at -16.6161 9.36573 2.83163 in (null):N-9999 (1) and CA(27) at -14.397 8.183 2.631 in (null):L-9999 (4) other bump:1.97341 Ang OD1(7) at -16.6161 9.36573 2.83163 in (null):N-9999 (1) and N(26) at -15.066 9.057 1.65 in (null):L-9999 (4) self-bump: 1.33993 Ang CA(11) at -18.265 7.906 -1.212 in (null):N-9999 (2) and CB(12) at -18.7326 8.06993 -2.45696 in (null):N-9999 (2) Number of specific fragments= 1 total=385 # 1eerA.3.3 read from T0136.t2k.frag # found chain 1eerA in template set T0136 3 :NNNLKLAST 1eerA 4 :RLICDSRVL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59043 Ang C(1) at -33.066 18.47 95.754 in (null):G-9999 (0) and CD1(30) at -32.7159 18.1548 98.3012 in (null):L-9999 (4) other bump:2.99137 Ang N(2) at -32.598 17.264 95.448 in (null):N-9999 (1) and CD1(30) at -32.7159 18.1548 98.3012 in (null):L-9999 (4) neighbor-bump: 2.21244 Ang CB(4) at -31.0068 16.1086 93.6707 in (null):N-9999 (1) and N(10) at -29.181 17.319 93.981 in (null):N-9999 (2) self-bump: 2.11263 Ang CB(4) at -31.0068 16.1086 93.6707 in (null):N-9999 (1) and C(9) at -30.139 17.63 94.852 in (null):N-9999 (1) self-bump: 1.34407 Ang CA(3) at -31.512 17.037 94.501 in (null):N-9999 (1) and CB(4) at -31.0068 16.1086 93.6707 in (null):N-9999 (1) Number of specific fragments= 1 total=386 # 1a92A.3.3 read from T0136.t2k.frag # found chain 1a92A in template set T0136 3 :NNNLKLAST 1a92A 15 :DILEQWVSG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65077 Ang ND2(6) at 83.5656 39.6727 -9.53107 in (null):N-9999 (1) and NZ(40) at 82.9097 42.2402 -9.46682 in (null):K-9999 (5) Number of specific fragments= 1 total=387 # 1i49A.3.3 read from T0136.t2k.frag # found chain 1i49A in template set T0136 3 :NNNLKLAST 1i49A 25 :TVDLELELQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73156 Ang OD1(15) at 68.4273 68.8182 36.0252 in (null):N-9999 (2) and CD2(31) at 66.447 70.047 37.45 in (null):L-9999 (4) Number of specific fragments= 1 total=388 # 1i4dA.3.3 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 3 :NNNLKLAST 1i4dA 25 :TVDLELELQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14812 Ang CG(13) at -21.9965 -21.6236 3.42124 in (null):N-9999 (2) and N(26) at -20.807 -18.795 2.718 in (null):L-9999 (4) Number of specific fragments= 1 total=389 # 1i4lA.3.3 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 3 :NNNLKLAST 1i4lA 25 :TVDLELELQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=390 # 1bct.4.4 read from T0136.t2k.frag # found chain 1bct in template set T0136 4 :NNLKLASTM 1bct 167 :VASTFKVLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=391 # 1i49A.4.4 read from T0136.t2k.frag # found chain 1i49A in template set T0136 4 :NNLKLASTM 1i49A 26 :VDLELELQI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=392 # 1i4dA.4.4 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 4 :NNLKLASTM 1i4dA 26 :VDLELELQI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=393 # 1i4lA.4.4 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 4 :NNLKLASTM 1i4lA 26 :VDLELELQI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=394 # 1a92A.4.4 read from T0136.t2k.frag # found chain 1a92A in template set T0136 4 :NNLKLASTM 1a92A 16 :ILEQWVSGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=395 # 1bct.4.6 read from T0136.t2k.frag # found chain 1bct in template set T0136 4 :NNLKLASTM 1bct 169 :STFKVLRNV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=396 # 1bct.5.5 read from T0136.t2k.frag # found chain 1bct in template set T0136 5 :NLKLASTME 1bct 168 :ASTFKVLRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=397 # 1i49A.5.5 read from T0136.t2k.frag # found chain 1i49A in template set T0136 5 :NLKLASTME 1i49A 27 :DLELELQIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=398 # 1i4dA.5.5 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 5 :NLKLASTME 1i4dA 27 :DLELELQIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09662 Ang CD2(32) at -23.011 -11.944 4.796 in (null):L-9999 (4) and CE(58) at -23.2103 -11.8741 7.88541 in (null):M-9999 (8) Number of specific fragments= 1 total=399 # 1i4lA.5.5 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 5 :NLKLASTME 1i4lA 27 :DLELELQIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=400 # 1a92A.5.5 read from T0136.t2k.frag # found chain 1a92A in template set T0136 5 :NLKLASTME 1a92A 17 :LEQWVSGRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=401 # 1bct.5.7 read from T0136.t2k.frag # found chain 1bct in template set T0136 5 :NLKLASTME 1bct 170 :TFKVLRNVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=402 # 1bct.6.6 read from T0136.t2k.frag # found chain 1bct in template set T0136 6 :LKLASTMEG 1bct 169 :STFKVLRNV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=403 # 1i49A.6.6 read from T0136.t2k.frag # found chain 1i49A in template set T0136 6 :LKLASTMEG 1i49A 28 :LELELQIEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=404 # 1i4dA.6.6 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 6 :LKLASTMEG 1i4dA 28 :LELELQIEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09662 Ang CD2(24) at -23.011 -11.944 4.796 in (null):L-9999 (3) and CE(50) at -23.2103 -11.8741 7.88541 in (null):M-9999 (7) Number of specific fragments= 1 total=405 # 1i4lA.6.6 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 6 :LKLASTMEG 1i4lA 28 :LELELQIEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=406 # 1a92A.6.6 read from T0136.t2k.frag # found chain 1a92A in template set T0136 6 :LKLASTMEG 1a92A 18 :EQWVSGRKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=407 # 1hwxA.6.6 read from T0136.t2k.frag # adding 1hwxA to template set 1hwxA:# found chain 1hwxA in template set T0136 6 :LKLASTMEG 1hwxA 7 :PNFFKMVEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45469 Ang CB(4) at 5.55369 48.3343 81.6521 in (null):L-9999 (1) and OG1(42) at 6.91715 48.168 79.6177 in (null):T-9999 (6) other bump:2.41253 Ang CD1(6) at 7.94799 49.0135 81.6284 in (null):L-9999 (1) and OG1(42) at 6.91715 48.168 79.6177 in (null):T-9999 (6) other bump:2.97985 Ang CD1(6) at 7.94799 49.0135 81.6284 in (null):L-9999 (1) and CG2(41) at 9.27822 48.1623 79.1015 in (null):T-9999 (6) Number of specific fragments= 1 total=408 # 1bct.7.7 read from T0136.t2k.frag # found chain 1bct in template set T0136 7 :KLASTMEGR 1bct 170 :TFKVLRNVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=409 # 1i49A.7.7 read from T0136.t2k.frag # found chain 1i49A in template set T0136 7 :KLASTMEGR 1i49A 29 :ELELQIELL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=410 # 1i4dA.7.7 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 7 :KLASTMEGR 1i4dA 29 :ELELQIELL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09662 Ang CD2(16) at -23.011 -11.944 4.796 in (null):L-9999 (2) and CE(42) at -23.2103 -11.8741 7.88541 in (null):M-9999 (6) Number of specific fragments= 1 total=411 # 1i4lA.7.7 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 7 :KLASTMEGR 1i4lA 29 :ELELQIELL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=412 # 1gc5A.7.7 read from T0136.t2k.frag # adding 1gc5A to template set 1gc5A:# found chain 1gc5A in template set T0136 7 :KLASTMEGR 1gc5A 8 :RIRLWKRLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=413 # 1hwxA.7.7 read from T0136.t2k.frag # found chain 1hwxA in template set T0136 7 :KLASTMEGR 1hwxA 8 :NFFKMVEGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=414 # 1bct.8.8 read from T0136.t2k.frag # found chain 1bct in template set T0136 8 :LASTMEGRV 1bct 171 :FKVLRNVTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=415 # 1i49A.8.8 read from T0136.t2k.frag # found chain 1i49A in template set T0136 8 :LASTMEGRV 1i49A 30 :LELQIELLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=416 # 1i4dA.8.8 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 8 :LASTMEGRV 1i4dA 30 :LELQIELLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09662 Ang CD2(7) at -23.011 -11.944 4.796 in (null):L-9999 (1) and CE(33) at -23.2103 -11.8741 7.88541 in (null):M-9999 (5) Number of specific fragments= 1 total=417 # 1i4lA.8.8 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 8 :LASTMEGRV 1i4lA 30 :LELQIELLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=418 # 1gc5A.8.8 read from T0136.t2k.frag # found chain 1gc5A in template set T0136 8 :LASTMEGRV 1gc5A 9 :IRLWKRLYV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=419 # 1foeA.8.8 read from T0136.t2k.frag # adding 1foeA to template set 1foeA: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 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 1foeA in template set T0136 8 :LASTMEGRV 1foeA 1038 :ADKLRKVIC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=420 # 1bct.9.9 read from T0136.t2k.frag # found chain 1bct in template set T0136 9 :ASTMEGRVE 1bct 172 :KVLRNVTVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=421 # 1i49A.9.9 read from T0136.t2k.frag # found chain 1i49A in template set T0136 9 :ASTMEGRVE 1i49A 31 :ELQIELLRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=422 # 1i4dA.9.9 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 9 :ASTMEGRVE 1i4dA 31 :ELQIELLRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=423 # 1i4lA.9.9 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 9 :ASTMEGRVE 1i4lA 31 :ELQIELLRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=424 # 1gc5A.9.9 read from T0136.t2k.frag # found chain 1gc5A in template set T0136 9 :ASTMEGRVE 1gc5A 10 :RLWKRLYVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=425 # 1foeA.9.9 read from T0136.t2k.frag # found chain 1foeA in template set T0136 9 :ASTMEGRVE 1foeA 1039 :DKLRKVICE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=426 # 1bct.10.10 read from T0136.t2k.frag # found chain 1bct in template set T0136 10 :STMEGRVEQ 1bct 173 :VLRNVTVVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=427 # 1gc5A.10.10 read from T0136.t2k.frag # found chain 1gc5A in template set T0136 10 :STMEGRVEQ 1gc5A 11 :LWKRLYVNA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=428 # 1i49A.10.10 read from T0136.t2k.frag # found chain 1i49A in template set T0136 10 :STMEGRVEQ 1i49A 32 :LQIELLRET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=429 # 1i4lA.10.10 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 10 :STMEGRVEQ 1i4lA 32 :LQIELLRET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=430 # 1i4dA.10.10 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 10 :STMEGRVEQ 1i4dA 32 :LQIELLRET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=431 # 1foeA.10.10 read from T0136.t2k.frag # found chain 1foeA in template set T0136 10 :STMEGRVEQ 1foeA 1040 :KLRKVICEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=432 # 1bct.11.11 read from T0136.t2k.frag # found chain 1bct in template set T0136 11 :TMEGRVEQL 1bct 174 :LRNVTVVLW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=433 # 1jw2A.11.15 read from T0136.t2k.frag # adding 1jw2A to template set 1jw2A:# found chain 1jw2A in template set T0136 11 :TMEGRVEQL 1jw2A 16 :RRCQTIDTL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73437 Ang CG(20) at -9.68271 4.26214 8.84355 in (null):E-9999 (3) and CD2(71) at -9.215 5.299 6.357 in (null):L-9999 (9) other bump:2.35141 Ang CD(21) at -10.0824 5.68535 8.50816 in (null):E-9999 (3) and CD2(71) at -9.215 5.299 6.357 in (null):L-9999 (9) other bump:2.38501 Ang OE2(23) at -9.18721 6.52461 8.40281 in (null):E-9999 (3) and CD2(71) at -9.215 5.299 6.357 in (null):L-9999 (9) other bump:2.82177 Ang CG(20) at -9.68271 4.26214 8.84355 in (null):E-9999 (3) and CG(69) at -9.912 3.983 6.045 in (null):L-9999 (9) other bump:2.99903 Ang CD(21) at -10.0824 5.68535 8.50816 in (null):E-9999 (3) and CG(69) at -9.912 3.983 6.045 in (null):L-9999 (9) other bump:3.0856 Ang CD(21) at -10.0824 5.68535 8.50816 in (null):E-9999 (3) and CB(68) at -11.43 4.114 6.22 in (null):L-9999 (9) other bump:2.80478 Ang OE1(22) at -11.2789 5.95825 8.32778 in (null):E-9999 (3) and CB(68) at -11.43 4.114 6.22 in (null):L-9999 (9) other bump:2.80673 Ang OE1(22) at -11.2789 5.95825 8.32778 in (null):E-9999 (3) and CA(67) at -12.055 5.409 5.687 in (null):L-9999 (9) Number of specific fragments= 1 total=434 # 1gc5A.11.11 read from T0136.t2k.frag # found chain 1gc5A in template set T0136 11 :TMEGRVEQL 1gc5A 12 :WKRLYVNAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=435 # 1i49A.11.11 read from T0136.t2k.frag # found chain 1i49A in template set T0136 11 :TMEGRVEQL 1i49A 33 :QIELLRETK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=436 # 1i4lA.11.11 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 11 :TMEGRVEQL 1i4lA 33 :QIELLRETK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=437 # 1i4dA.11.11 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 11 :TMEGRVEQL 1i4dA 33 :QIELLRETK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=438 # 1jw2A.12.16 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 12 :MEGRVEQLA 1jw2A 17 :RCQTIDTLE Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92315 Ang CG(13) at -9.981 3.77735 8.73242 in (null):E-9999 (2) and CD2(64) at -9.215 5.299 6.357 in (null):L-9999 (8) other bump:2.69173 Ang CD(14) at -10.1134 3.00079 7.43238 in (null):E-9999 (2) and CD2(64) at -9.215 5.299 6.357 in (null):L-9999 (8) other bump:2.00398 Ang OE2(16) at -9.22996 3.3115 6.61305 in (null):E-9999 (2) and CD2(64) at -9.215 5.299 6.357 in (null):L-9999 (8) other bump:2.8962 Ang CD(14) at -10.1134 3.00079 7.43238 in (null):E-9999 (2) and CD1(63) at -9.574 3.522 4.635 in (null):L-9999 (8) other bump:2.01875 Ang OE2(16) at -9.22996 3.3115 6.61305 in (null):E-9999 (2) and CD1(63) at -9.574 3.522 4.635 in (null):L-9999 (8) other bump:2.42145 Ang OE1(15) at -11.0212 2.17835 7.21813 in (null):E-9999 (2) and CG(62) at -9.912 3.983 6.045 in (null):L-9999 (8) other bump:2.69616 Ang CG(13) at -9.981 3.77735 8.73242 in (null):E-9999 (2) and CG(62) at -9.912 3.983 6.045 in (null):L-9999 (8) other bump:1.71177 Ang CD(14) at -10.1134 3.00079 7.43238 in (null):E-9999 (2) and CG(62) at -9.912 3.983 6.045 in (null):L-9999 (8) other bump:1.113 Ang OE2(16) at -9.22996 3.3115 6.61305 in (null):E-9999 (2) and CG(62) at -9.912 3.983 6.045 in (null):L-9999 (8) other bump:2.21588 Ang OE1(15) at -11.0212 2.17835 7.21813 in (null):E-9999 (2) and CB(61) at -11.43 4.114 6.22 in (null):L-9999 (8) other bump:2.91979 Ang CG(13) at -9.981 3.77735 8.73242 in (null):E-9999 (2) and CB(61) at -11.43 4.114 6.22 in (null):L-9999 (8) other bump:2.10771 Ang CD(14) at -10.1134 3.00079 7.43238 in (null):E-9999 (2) and CB(61) at -11.43 4.114 6.22 in (null):L-9999 (8) other bump:2.37459 Ang OE2(16) at -9.22996 3.3115 6.61305 in (null):E-9999 (2) and CB(61) at -11.43 4.114 6.22 in (null):L-9999 (8) Number of specific fragments= 1 total=439 # 1bct.12.12 read from T0136.t2k.frag # found chain 1bct in template set T0136 12 :MEGRVEQLA 1bct 175 :RNVTVVLWS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=440 # 1i49A.12.12 read from T0136.t2k.frag # found chain 1i49A in template set T0136 12 :MEGRVEQLA 1i49A 34 :IELLRETKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=441 # 1i4lA.12.12 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 12 :MEGRVEQLA 1i4lA 34 :IELLRETKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=442 # 1i4dA.12.12 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 12 :MEGRVEQLA 1i4dA 34 :IELLRETKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=443 # 1foeA.12.12 read from T0136.t2k.frag # found chain 1foeA in template set T0136 12 :MEGRVEQLA 1foeA 1042 :RKVICELLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=444 # 1jw2A.13.17 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 13 :EGRVEQLAE 1jw2A 18 :CQTIDTLER Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64048 Ang CD(6) at -11.8923 3.04684 7.51951 in (null):E-9999 (1) and CG(54) at -9.912 3.983 6.045 in (null):L-9999 (7) other bump:2.43254 Ang OE1(7) at -11.0304 2.18291 7.23917 in (null):E-9999 (1) and CG(54) at -9.912 3.983 6.045 in (null):L-9999 (7) other bump:1.74392 Ang CD(6) at -11.8923 3.04684 7.51951 in (null):E-9999 (1) and CB(53) at -11.43 4.114 6.22 in (null):L-9999 (7) other bump:2.2198 Ang OE1(7) at -11.0304 2.18291 7.23917 in (null):E-9999 (1) and CB(53) at -11.43 4.114 6.22 in (null):L-9999 (7) other bump:2.86412 Ang CG(5) at -12.0182 3.5331 8.96221 in (null):E-9999 (1) and CB(53) at -11.43 4.114 6.22 in (null):L-9999 (7) other bump:1.43622 Ang OE2(8) at -12.6654 3.53197 6.6646 in (null):E-9999 (1) and CB(53) at -11.43 4.114 6.22 in (null):L-9999 (7) other bump:2.99405 Ang CD(6) at -11.8923 3.04684 7.51951 in (null):E-9999 (1) and CA(52) at -12.055 5.409 5.687 in (null):L-9999 (7) other bump:2.20263 Ang OE2(8) at -12.6654 3.53197 6.6646 in (null):E-9999 (1) and CA(52) at -12.055 5.409 5.687 in (null):L-9999 (7) other bump:2.18956 Ang OE2(8) at -12.6654 3.53197 6.6646 in (null):E-9999 (1) and N(51) at -13.509 5.316 5.716 in (null):L-9999 (7) other bump:2.74991 Ang CD(6) at -11.8923 3.04684 7.51951 in (null):E-9999 (1) and C(25) at -14.295 1.749 7.196 in (null):R-9999 (3) other bump:2.47323 Ang OE2(8) at -12.6654 3.53197 6.6646 in (null):E-9999 (1) and C(25) at -14.295 1.749 7.196 in (null):R-9999 (3) other bump:1.82416 Ang CD(6) at -11.8923 3.04684 7.51951 in (null):E-9999 (1) and O(24) at -13.655 2.797 7.122 in (null):R-9999 (3) other bump:2.57046 Ang CG(5) at -12.0182 3.5331 8.96221 in (null):E-9999 (1) and O(24) at -13.655 2.797 7.122 in (null):R-9999 (3) other bump:1.31478 Ang OE2(8) at -12.6654 3.53197 6.6646 in (null):E-9999 (1) and O(24) at -13.655 2.797 7.122 in (null):R-9999 (3) other bump:2.99524 Ang CG(5) at -12.0182 3.5331 8.96221 in (null):E-9999 (1) and N(15) at -14.637 2.219 9.584 in (null):R-9999 (3) Number of specific fragments= 1 total=445 # 1bct.13.13 read from T0136.t2k.frag # found chain 1bct in template set T0136 13 :EGRVEQLAE 1bct 176 :NVTVVLWSA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70604 Ang CG(36) at 0.935371 0.730642 3.96194 in (null):E-9999 (5) and OE2(70) at 2.34549 -1.4252 4.79052 in (null):E-9999 (9) other bump:1.67159 Ang CD(37) at 0.965372 -0.764018 4.11796 in (null):E-9999 (5) and OE2(70) at 2.34549 -1.4252 4.79052 in (null):E-9999 (9) other bump:0.721725 Ang OE2(39) at 1.70572 -1.19055 5.02827 in (null):E-9999 (5) and OE2(70) at 2.34549 -1.4252 4.79052 in (null):E-9999 (9) other bump:2.36241 Ang CD(37) at 0.965372 -0.764018 4.11796 in (null):E-9999 (5) and CD(68) at 2.77539 -2.27589 3.98001 in (null):E-9999 (9) other bump:1.8496 Ang OE2(39) at 1.70572 -1.19055 5.02827 in (null):E-9999 (5) and CD(68) at 2.77539 -2.27589 3.98001 in (null):E-9999 (9) Number of specific fragments= 1 total=446 # 1foeA.13.13 read from T0136.t2k.frag # found chain 1foeA in template set T0136 13 :EGRVEQLAE 1foeA 1043 :KVICELLET Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31764 Ang CG(36) at 27.591 -89.951 36.226 in (null):E-9999 (5) and OE1(69) at 25.4226 -89.4845 36.8983 in (null):E-9999 (9) Number of specific fragments= 1 total=447 # 1i49A.13.13 read from T0136.t2k.frag # found chain 1i49A in template set T0136 13 :EGRVEQLAE 1i49A 35 :ELLRETKRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=448 # 1i4lA.13.13 read from T0136.t2k.frag # found chain 1i4lA in template set T0136 13 :EGRVEQLAE 1i4lA 35 :ELLRETKRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=449 # 1i4dA.13.13 read from T0136.t2k.frag # found chain 1i4dA in template set T0136 13 :EGRVEQLAE 1i4dA 35 :ELLRETKRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=450 # 1jw2A.14.18 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 14 :GRVEQLAEQ 1jw2A 19 :QTIDTLERV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=451 # 1bct.14.14 read from T0136.t2k.frag # found chain 1bct in template set T0136 14 :GRVEQLAEQ 1bct 177 :VTVVLWSAY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=452 # 1a1z.14.14 read from T0136.t2k.frag # adding 1a1z to template set 1a1z:# found chain 1a1z in template set T0136 14 :GRVEQLAEQ 1a1z 15 :LSSSELTEL Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.62372 Ang CD(37) at 3.67508 -4.94101 2.1285 in (null):Q-9999 (5) and OE1(69) at 4.43122 -4.21589 0.887959 in (null):Q-9999 (9) other bump:2.27823 Ang NE2(39) at 2.48833 -4.33121 2.07211 in (null):Q-9999 (5) and OE1(69) at 4.43122 -4.21589 0.887959 in (null):Q-9999 (9) other bump:1.59161 Ang OE1(38) at 4.71276 -4.35205 2.44854 in (null):Q-9999 (5) and OE1(69) at 4.43122 -4.21589 0.887959 in (null):Q-9999 (9) other bump:2.65319 Ang CD(37) at 3.67508 -4.94101 2.1285 in (null):Q-9999 (5) and CD(68) at 4.36738 -4.2485 -0.337384 in (null):Q-9999 (9) self-bump: 2.77771 Ang OE2(61) at 9.373 -7.719 -4.021 in (null):E-9999 (8) and C(63) at 9.274 -6.796 -1.403 in (null):E-9999 (8) other bump:2.32746 Ang CD(10) at 4.64191 -12.099 8.62833 in (null):R-9999 (2) and OE2(30) at 6.14982 -13.7156 7.90047 in (null):E-9999 (4) other bump:2.48571 Ang NE(11) at 3.26418 -12.3567 8.96683 in (null):R-9999 (2) and OE1(29) at 5.05374 -11.92 7.29786 in (null):E-9999 (4) other bump:2.10745 Ang CG(9) at 4.95479 -10.6368 8.96671 in (null):R-9999 (2) and OE1(29) at 5.05374 -11.92 7.29786 in (null):E-9999 (4) other bump:1.4042 Ang CD(10) at 4.64191 -12.099 8.62833 in (null):R-9999 (2) and OE1(29) at 5.05374 -11.92 7.29786 in (null):E-9999 (4) other bump:2.57272 Ang CB(8) at 4.06285 -9.71107 8.16837 in (null):R-9999 (2) and OE1(29) at 5.05374 -11.92 7.29786 in (null):E-9999 (4) other bump:2.12047 Ang CD(10) at 4.64191 -12.099 8.62833 in (null):R-9999 (2) and CD(28) at 5.80545 -12.8831 7.03848 in (null):E-9999 (4) neighbor-bump: 2.08252 Ang O(4) at 3.547 -9.083 6.251 in (null):G-9999 (1) and CB(8) at 4.06285 -9.71107 8.16837 in (null):R-9999 (2) neighbor-bump: 2.49193 Ang C(5) at 2.962 -8.088 6.631 in (null):G-9999 (1) and CB(8) at 4.06285 -9.71107 8.16837 in (null):R-9999 (2) Number of specific fragments= 1 total=453 # 1phnB.14.18 read from T0136.t2k.frag # adding 1phnB to template set 1phnB:# found chain 1phnB in template set T0136 14 :GRVEQLAEQ 1phnB 19 :LSNTQLDAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19911 Ang O(31) at -13.374 -42.604 21.261 in (null):E-9999 (4) and OE2(61) at -14.4059 -42.354 23.1868 in (null):E-9999 (8) other bump:0.910383 Ang O(31) at -13.374 -42.604 21.261 in (null):E-9999 (4) and OE1(60) at -13.4312 -41.6989 21.3403 in (null):E-9999 (8) other bump:1.83523 Ang C(32) at -12.275 -43.119 21.461 in (null):E-9999 (4) and OE1(60) at -13.4312 -41.6989 21.3403 in (null):E-9999 (8) other bump:2.46018 Ang CA(34) at -11.135 -41.153 20.646 in (null):Q-9999 (5) and OE1(60) at -13.4312 -41.6989 21.3403 in (null):E-9999 (8) other bump:1.68566 Ang O(31) at -13.374 -42.604 21.261 in (null):E-9999 (4) and CD(59) at -14.3177 -41.5813 22.2122 in (null):E-9999 (8) other bump:2.6649 Ang C(32) at -12.275 -43.119 21.461 in (null):E-9999 (4) and CD(59) at -14.3177 -41.5813 22.2122 in (null):E-9999 (8) Number of specific fragments= 1 total=454 # 1foeA.14.14 read from T0136.t2k.frag # found chain 1foeA in template set T0136 14 :GRVEQLAEQ 1foeA 1044 :VICELLETE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=455 # 1i49A.14.14 read from T0136.t2k.frag # found chain 1i49A in template set T0136 14 :GRVEQLAEQ 1i49A 36 :LLRETKRKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=456 # 1jw2A.15.19 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 15 :RVEQLAEQR 1jw2A 20 :TIDTLERVI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33924 Ang CD1(42) at -9.574 3.522 4.635 in (null):L-9999 (5) and NH2(77) at -10.3027 2.3769 2.72981 in (null):R-9999 (9) other bump:1.77652 Ang CD1(42) at -9.574 3.522 4.635 in (null):L-9999 (5) and NH1(76) at -8.25609 2.92894 3.60184 in (null):R-9999 (9) other bump:2.18171 Ang CD1(42) at -9.574 3.522 4.635 in (null):L-9999 (5) and CZ(75) at -9.10844 2.93877 2.58489 in (null):R-9999 (9) Number of specific fragments= 1 total=457 # 1bct.15.15 read from T0136.t2k.frag # found chain 1bct in template set T0136 15 :RVEQLAEQR 1bct 178 :TVVLWSAYP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=458 # 1phnB.15.19 read from T0136.t2k.frag # found chain 1phnB in template set T0136 15 :RVEQLAEQR 1phnB 20 :SNTQLDALS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19911 Ang O(27) at -13.374 -42.604 21.261 in (null):E-9999 (3) and OE2(57) at -14.4059 -42.354 23.1868 in (null):E-9999 (7) other bump:0.910383 Ang O(27) at -13.374 -42.604 21.261 in (null):E-9999 (3) and OE1(56) at -13.4312 -41.6989 21.3403 in (null):E-9999 (7) other bump:1.83523 Ang C(28) at -12.275 -43.119 21.461 in (null):E-9999 (3) and OE1(56) at -13.4312 -41.6989 21.3403 in (null):E-9999 (7) other bump:2.46018 Ang CA(30) at -11.135 -41.153 20.646 in (null):Q-9999 (4) and OE1(56) at -13.4312 -41.6989 21.3403 in (null):E-9999 (7) other bump:1.68566 Ang O(27) at -13.374 -42.604 21.261 in (null):E-9999 (3) and CD(55) at -14.3177 -41.5813 22.2122 in (null):E-9999 (7) other bump:2.6649 Ang C(28) at -12.275 -43.119 21.461 in (null):E-9999 (3) and CD(55) at -14.3177 -41.5813 22.2122 in (null):E-9999 (7) Number of specific fragments= 1 total=459 # 1a1z.15.15 read from T0136.t2k.frag # found chain 1a1z in template set T0136 15 :RVEQLAEQR 1a1z 16 :SSSELTELK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.77771 Ang OE2(57) at 9.373 -7.719 -4.021 in (null):E-9999 (7) and C(59) at 9.274 -6.796 -1.403 in (null):E-9999 (7) neighbor-bump: 2.31269 Ang CB(4) at 4.68909 -8.78695 9.55934 in (null):R-9999 (1) and N(13) at 6.714 -8.557 8.466 in (null):V-9999 (2) neighbor-bump: 2.46142 Ang CG(5) at 5.64068 -8.46731 10.6793 in (null):R-9999 (1) and N(13) at 6.714 -8.557 8.466 in (null):V-9999 (2) self-bump: 2.09781 Ang CB(4) at 4.68909 -8.78695 9.55934 in (null):R-9999 (1) and C(12) at 5.685 -7.996 7.891 in (null):R-9999 (1) self-bump: 1.2193 Ang CA(3) at 4.34 -8.091 8.621 in (null):R-9999 (1) and CB(4) at 4.68909 -8.78695 9.55934 in (null):R-9999 (1) Number of specific fragments= 1 total=460 # 1jobA.15.19 read from T0136.t2k.frag # adding 1jobA to template set 1jobA:# found chain 1jobA in template set T0136 15 :RVEQLAEQR 1jobA 121 :LTQQMRLRV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=461 # 1ktpB.15.19 read from T0136.t2k.frag # adding 1ktpB to template set 1ktpB:# found chain 1ktpB in template set T0136 15 :RVEQLAEQR 1ktpB 20 :TNAQFDALS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=462 # 1jw2A.16.20 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 16 :VEQLAEQRQ 1jw2A 21 :IDTLERVIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=463 # 1bct.16.16 read from T0136.t2k.frag # found chain 1bct in template set T0136 16 :VEQLAEQRQ 1bct 179 :VVLWSAYPV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=464 # 1phnB.16.20 read from T0136.t2k.frag # found chain 1phnB in template set T0136 16 :VEQLAEQRQ 1phnB 21 :NTQLDALSK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19911 Ang O(16) at -13.374 -42.604 21.261 in (null):E-9999 (2) and OE2(46) at -14.4059 -42.354 23.1868 in (null):E-9999 (6) other bump:2.46018 Ang CA(19) at -11.135 -41.153 20.646 in (null):Q-9999 (3) and OE1(45) at -13.4312 -41.6989 21.3403 in (null):E-9999 (6) other bump:0.910383 Ang O(16) at -13.374 -42.604 21.261 in (null):E-9999 (2) and OE1(45) at -13.4312 -41.6989 21.3403 in (null):E-9999 (6) other bump:1.83523 Ang C(17) at -12.275 -43.119 21.461 in (null):E-9999 (2) and OE1(45) at -13.4312 -41.6989 21.3403 in (null):E-9999 (6) other bump:1.68566 Ang O(16) at -13.374 -42.604 21.261 in (null):E-9999 (2) and CD(44) at -14.3177 -41.5813 22.2122 in (null):E-9999 (6) other bump:2.6649 Ang C(17) at -12.275 -43.119 21.461 in (null):E-9999 (2) and CD(44) at -14.3177 -41.5813 22.2122 in (null):E-9999 (6) Number of specific fragments= 1 total=465 # 1a1z.16.16 read from T0136.t2k.frag # found chain 1a1z in template set T0136 16 :VEQLAEQRQ 1a1z 17 :SSELTELKG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.77771 Ang OE2(46) at 9.373 -7.719 -4.021 in (null):E-9999 (6) and C(48) at 9.274 -6.796 -1.403 in (null):E-9999 (6) Number of specific fragments= 1 total=466 # 1ktpB.16.20 read from T0136.t2k.frag # found chain 1ktpB in template set T0136 16 :VEQLAEQRQ 1ktpB 21 :NAQFDALSN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42237 Ang CB(29) at 82.192 117.903 16.553 in (null):L-9999 (4) and NH2(66) at 80.9252 116.078 15.5865 in (null):R-9999 (8) Number of specific fragments= 1 total=467 # 1rypF.16.17 read from T0136.t2k.frag # adding 1rypF to template set 1rypF:# found chain 1rypF in template set T0136 16 :VEQLAEQRQ 1rypF 19 :LFQVEYALE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70117 Ang CG(30) at 11.4012 -86.7669 49.1171 in (null):L-9999 (4) and NH2(66) at 10.2995 -85.0742 50.9107 in (null):R-9999 (8) other bump:2.58464 Ang CD2(32) at 11.6834 -87.2206 50.513 in (null):L-9999 (4) and NH2(66) at 10.2995 -85.0742 50.9107 in (null):R-9999 (8) other bump:3.07952 Ang CG(30) at 11.4012 -86.7669 49.1171 in (null):L-9999 (4) and CZ(64) at 9.05773 -85.4223 50.5948 in (null):R-9999 (8) Number of specific fragments= 1 total=468 # 1jw2A.17.21 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 17 :EQLAEQRQV 1jw2A 22 :DTLERVIEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=469 # 1bct.17.17 read from T0136.t2k.frag # found chain 1bct in template set T0136 17 :EQLAEQRQV 1bct 180 :VLWSAYPVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=470 # 1phnB.17.21 read from T0136.t2k.frag # found chain 1phnB in template set T0136 17 :EQLAEQRQV 1phnB 22 :TQLDALSKM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19911 Ang O(9) at -13.374 -42.604 21.261 in (null):E-9999 (1) and OE2(39) at -14.4059 -42.354 23.1868 in (null):E-9999 (5) other bump:0.910383 Ang O(9) at -13.374 -42.604 21.261 in (null):E-9999 (1) and OE1(38) at -13.4312 -41.6989 21.3403 in (null):E-9999 (5) other bump:1.83523 Ang C(10) at -12.275 -43.119 21.461 in (null):E-9999 (1) and OE1(38) at -13.4312 -41.6989 21.3403 in (null):E-9999 (5) other bump:2.46018 Ang CA(12) at -11.135 -41.153 20.646 in (null):Q-9999 (2) and OE1(38) at -13.4312 -41.6989 21.3403 in (null):E-9999 (5) other bump:1.68566 Ang O(9) at -13.374 -42.604 21.261 in (null):E-9999 (1) and CD(37) at -14.3177 -41.5813 22.2122 in (null):E-9999 (5) other bump:2.6649 Ang C(10) at -12.275 -43.119 21.461 in (null):E-9999 (1) and CD(37) at -14.3177 -41.5813 22.2122 in (null):E-9999 (5) Number of specific fragments= 1 total=471 # 1a1z.17.17 read from T0136.t2k.frag # found chain 1a1z in template set T0136 17 :EQLAEQRQV 1a1z 18 :SELTELKGL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61041 Ang OE2(39) at 9.373 -7.719 -4.021 in (null):E-9999 (5) and CG2(75) at 10.0729 -6.25207 -6.06366 in (null):V-9999 (9) self-bump: 2.77771 Ang OE2(39) at 9.373 -7.719 -4.021 in (null):E-9999 (5) and C(41) at 9.274 -6.796 -1.403 in (null):E-9999 (5) Number of specific fragments= 1 total=472 # 1dcnA.17.21 read from T0136.t2k.frag # adding 1dcnA to template set 1dcnA:# found chain 1dcnA in template set T0136 17 :EQLAEQRQV 1dcnA 54 :AGILTKTEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.18175 Ang O(9) at 54.205 11.823 52.564 in (null):E-9999 (1) and CB(13) at 53.714 9.7041 52.393 in (null):Q-9999 (2) neighbor-bump: 2.58736 Ang C(10) at 53.075 12.154 52.926 in (null):E-9999 (1) and CB(13) at 53.714 9.7041 52.393 in (null):Q-9999 (2) Number of specific fragments= 1 total=473 # 2tct.17.21 read from T0136.t2k.frag # adding 2tct to template set 2tct:# found chain 2tct in template set T0136 17 :EQLAEQRQV 2tct 23 :DGLTTRKLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=474 # 1jw2A.18.22 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 18 :QLAEQRQVI 1jw2A 23 :TLERVIEKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=475 # 1dcnA.18.22 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 18 :QLAEQRQVI 1dcnA 55 :GILTKTELA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.51574 Ang O(0) at 54.205 11.823 52.564 in (null):G-9999 (0) and CG(5) at 53.6042 9.93205 51.0173 in (null):Q-9999 (1) Number of specific fragments= 1 total=476 # 1bct.18.18 read from T0136.t2k.frag # found chain 1bct in template set T0136 18 :QLAEQRQVI 1bct 181 :LWSAYPVVW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=477 # 2tct.18.22 read from T0136.t2k.frag # found chain 2tct in template set T0136 18 :QLAEQRQVI 2tct 24 :GLTTRKLAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=478 # 1phnB.18.22 read from T0136.t2k.frag # found chain 1phnB in template set T0136 18 :QLAEQRQVI 1phnB 23 :QLDALSKMV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19911 Ang O(0) at -13.374 -42.604 21.261 in (null):G-9999 (0) and OE2(30) at -14.4059 -42.354 23.1868 in (null):E-9999 (4) other bump:0.910383 Ang O(0) at -13.374 -42.604 21.261 in (null):G-9999 (0) and OE1(29) at -13.4312 -41.6989 21.3403 in (null):E-9999 (4) other bump:1.83523 Ang C(1) at -12.275 -43.119 21.461 in (null):G-9999 (0) and OE1(29) at -13.4312 -41.6989 21.3403 in (null):E-9999 (4) other bump:2.46018 Ang CA(3) at -11.135 -41.153 20.646 in (null):Q-9999 (1) and OE1(29) at -13.4312 -41.6989 21.3403 in (null):E-9999 (4) other bump:1.68566 Ang O(0) at -13.374 -42.604 21.261 in (null):G-9999 (0) and CD(28) at -14.3177 -41.5813 22.2122 in (null):E-9999 (4) other bump:2.6649 Ang C(1) at -12.275 -43.119 21.461 in (null):G-9999 (0) and CD(28) at -14.3177 -41.5813 22.2122 in (null):E-9999 (4) Number of specific fragments= 1 total=479 # 1a1z.18.18 read from T0136.t2k.frag # found chain 1a1z in template set T0136 18 :QLAEQRQVI 1a1z 19 :ELTELKGLC Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21483 Ang O(40) at 9.59 -2.892 -1.878 in (null):Q-9999 (5) and CD1(74) at 8.96088 -1.17566 -0.627442 in (null):I-9999 (9) other bump:2.7874 Ang C(41) at 9.337 -3.875 -1.212 in (null):Q-9999 (5) and CD1(74) at 8.96088 -1.17566 -0.627442 in (null):I-9999 (9) other bump:1.89261 Ang O(40) at 9.59 -2.892 -1.878 in (null):Q-9999 (5) and CG1(72) at 9.31844 -1.03237 -2.10161 in (null):I-9999 (9) other bump:2.97864 Ang C(41) at 9.337 -3.875 -1.212 in (null):Q-9999 (5) and CG1(72) at 9.31844 -1.03237 -2.10161 in (null):I-9999 (9) other bump:2.69037 Ang O(40) at 9.59 -2.892 -1.878 in (null):Q-9999 (5) and CB(71) at 10.7601 -0.508017 -2.3089 in (null):I-9999 (9) other bump:2.61041 Ang OE2(30) at 9.373 -7.719 -4.021 in (null):E-9999 (4) and CG2(66) at 10.0729 -6.25208 -6.06366 in (null):V-9999 (8) self-bump: 2.77771 Ang OE2(30) at 9.373 -7.719 -4.021 in (null):E-9999 (4) and C(32) at 9.274 -6.796 -1.403 in (null):E-9999 (4) Number of specific fragments= 1 total=480 # 1dcnA.19.23 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 19 :LAEQRQVIE 1dcnA 56 :ILTKTELAK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48844 Ang CG(36) at 42.2343 2.91794 59.9129 in (null):R-9999 (5) and OE2(74) at 40.6029 4.20286 61.2839 in (null):E-9999 (9) other bump:0.991865 Ang O(42) at 42.043 6.27 60.432 in (null):R-9999 (5) and OE1(73) at 42.0129 5.87536 61.3415 in (null):E-9999 (9) other bump:1.87336 Ang C(43) at 42.848 5.74 59.67 in (null):R-9999 (5) and OE1(73) at 42.0129 5.87536 61.3415 in (null):E-9999 (9) other bump:2.06853 Ang O(42) at 42.043 6.27 60.432 in (null):R-9999 (5) and CD(72) at 41.2714 5.04768 61.9116 in (null):E-9999 (9) other bump:2.82666 Ang C(43) at 42.848 5.74 59.67 in (null):R-9999 (5) and CD(72) at 41.2714 5.04768 61.9116 in (null):E-9999 (9) Number of specific fragments= 1 total=481 # 1jw2A.19.23 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 19 :LAEQRQVIE 1jw2A 24 :LERVIEKNK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55151 Ang O(42) at -6.463 9.41 0.078 in (null):R-9999 (5) and CG(71) at -4.35143 9.27435 -1.34787 in (null):E-9999 (9) Number of specific fragments= 1 total=482 # 1bct.19.19 read from T0136.t2k.frag # found chain 1bct in template set T0136 19 :LAEQRQVIE 1bct 182 :WSAYPVVWL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=483 # 2tct.19.23 read from T0136.t2k.frag # found chain 2tct in template set T0136 19 :LAEQRQVIE 2tct 25 :LTTRKLAQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=484 # 1phnB.19.23 read from T0136.t2k.frag # found chain 1phnB in template set T0136 19 :LAEQRQVIE 1phnB 24 :LDALSKMVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=485 # 1rypF.19.20 read from T0136.t2k.frag # found chain 1rypF in template set T0136 19 :LAEQRQVIE 1rypF 22 :VEYALEAIK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58951 Ang CD(48) at 4.3927 -78.6348 43.8595 in (null):Q-9999 (6) and OE1(73) at 2.7689 -79.3229 45.7556 in (null):E-9999 (9) other bump:2.25193 Ang OE1(49) at 4.69086 -78.3996 45.0312 in (null):Q-9999 (6) and OE1(73) at 2.7689 -79.3229 45.7556 in (null):E-9999 (9) other bump:2.70116 Ang CG(5) at 11.4012 -86.7669 49.1171 in (null):L-9999 (1) and NH2(41) at 10.2995 -85.0742 50.9107 in (null):R-9999 (5) other bump:2.58464 Ang CD2(7) at 11.6833 -87.2206 50.513 in (null):L-9999 (1) and NH2(41) at 10.2995 -85.0742 50.9107 in (null):R-9999 (5) other bump:3.07952 Ang CG(5) at 11.4012 -86.7669 49.1171 in (null):L-9999 (1) and CZ(39) at 9.05773 -85.4223 50.5948 in (null):R-9999 (5) Number of specific fragments= 1 total=486 # 1dcnA.20.24 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 20 :AEQRQVIEA 1dcnA 57 :LTKTELAKI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66398 Ang CA(26) at 42.37 4.903 58.492 in (null):R-9999 (4) and OE2(66) at 41.6366 5.80946 60.8873 in (null):E-9999 (8) other bump:0.764531 Ang O(34) at 42.043 6.27 60.432 in (null):R-9999 (4) and OE2(66) at 41.6366 5.80946 60.8873 in (null):E-9999 (8) other bump:1.71872 Ang C(35) at 42.848 5.74 59.67 in (null):R-9999 (4) and OE2(66) at 41.6366 5.80946 60.8873 in (null):E-9999 (8) other bump:2.03944 Ang O(34) at 42.043 6.27 60.432 in (null):R-9999 (4) and CD(64) at 40.7943 5.25869 61.688 in (null):E-9999 (8) other bump:2.91913 Ang C(35) at 42.848 5.74 59.67 in (null):R-9999 (4) and CD(64) at 40.7943 5.25869 61.688 in (null):E-9999 (8) Number of specific fragments= 1 total=487 # 1jw2A.20.24 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 20 :AEQRQVIEA 1jw2A 25 :ERVIEKNKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55152 Ang O(34) at -6.463 9.41 0.078 in (null):R-9999 (4) and CG(63) at -4.35143 9.27435 -1.34787 in (null):E-9999 (8) Number of specific fragments= 1 total=488 # 1bct.20.20 read from T0136.t2k.frag # found chain 1bct in template set T0136 20 :AEQRQVIEA 1bct 183 :SAYPVVWLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=489 # 2tct.20.24 read from T0136.t2k.frag # found chain 2tct in template set T0136 20 :AEQRQVIEA 2tct 26 :TTRKLAQKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=490 # 1b4aA.20.25 read from T0136.t2k.frag # adding 1b4aA to template set 1b4aA:# found chain 1b4aA in template set T0136 20 :AEQRQVIEA 1b4aA 26 :VDRLREAGF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3825 Ang O(23) at 1.097 24.944 -4.352 in (null):Q-9999 (3) and CD1(57) at 1.31108 24.9612 -1.9792 in (null):I-9999 (7) Number of specific fragments= 1 total=491 # 1rypF.20.21 read from T0136.t2k.frag # found chain 1rypF in template set T0136 20 :AEQRQVIEA 1rypF 23 :EYALEAIKQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58948 Ang CD(40) at 4.3927 -78.6348 43.8595 in (null):Q-9999 (5) and OE1(65) at 2.76891 -79.3229 45.7556 in (null):E-9999 (8) other bump:2.2519 Ang OE1(41) at 4.69086 -78.3996 45.0312 in (null):Q-9999 (5) and OE1(65) at 2.76891 -79.3229 45.7556 in (null):E-9999 (8) Number of specific fragments= 1 total=492 # 1dcnA.21.25 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 21 :EQRQVIEAG 1dcnA 58 :TKTELAKIL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66398 Ang CA(21) at 42.37 4.903 58.492 in (null):R-9999 (3) and OE2(61) at 41.6366 5.80946 60.8873 in (null):E-9999 (7) other bump:0.764531 Ang O(29) at 42.043 6.27 60.432 in (null):R-9999 (3) and OE2(61) at 41.6366 5.80946 60.8873 in (null):E-9999 (7) other bump:1.71872 Ang C(30) at 42.848 5.74 59.67 in (null):R-9999 (3) and OE2(61) at 41.6366 5.80946 60.8873 in (null):E-9999 (7) other bump:2.03944 Ang O(29) at 42.043 6.27 60.432 in (null):R-9999 (3) and CD(59) at 40.7943 5.25869 61.688 in (null):E-9999 (7) other bump:2.91913 Ang C(30) at 42.848 5.74 59.67 in (null):R-9999 (3) and CD(59) at 40.7943 5.25869 61.688 in (null):E-9999 (7) Number of specific fragments= 1 total=493 # 1jw2A.21.25 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 21 :EQRQVIEAG 1jw2A 26 :RVIEKNKYE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55152 Ang O(29) at -6.463 9.41 0.078 in (null):R-9999 (3) and CG(58) at -4.35143 9.27435 -1.34787 in (null):E-9999 (7) Number of specific fragments= 1 total=494 # 1bct.21.21 read from T0136.t2k.frag # found chain 1bct in template set T0136 21 :EQRQVIEAG 1bct 184 :AYPVVWLIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=495 # 2tct.21.25 read from T0136.t2k.frag # found chain 2tct in template set T0136 21 :EQRQVIEAG 2tct 27 :TRKLAQKLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=496 # 1rypF.21.22 read from T0136.t2k.frag # found chain 1rypF in template set T0136 21 :EQRQVIEAG 1rypF 24 :YALEAIKQG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58948 Ang CD(35) at 4.3927 -78.6348 43.8595 in (null):Q-9999 (4) and OE1(60) at 2.76891 -79.3229 45.7556 in (null):E-9999 (7) other bump:2.2519 Ang OE1(36) at 4.69086 -78.3996 45.0312 in (null):Q-9999 (4) and OE1(60) at 2.76891 -79.3229 45.7556 in (null):E-9999 (7) Number of specific fragments= 1 total=497 # 1a1z.21.21 read from T0136.t2k.frag # found chain 1a1z in template set T0136 21 :EQRQVIEAG 1a1z 22 :ELKGLCLGR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7874 Ang C(19) at 9.337 -3.875 -1.212 in (null):Q-9999 (2) and CD1(52) at 8.96088 -1.17566 -0.627444 in (null):I-9999 (6) other bump:2.21484 Ang O(18) at 9.59 -2.892 -1.878 in (null):Q-9999 (2) and CD1(52) at 8.96088 -1.17566 -0.627444 in (null):I-9999 (6) other bump:2.97864 Ang C(19) at 9.337 -3.875 -1.212 in (null):Q-9999 (2) and CG1(50) at 9.31843 -1.03237 -2.10161 in (null):I-9999 (6) other bump:1.89261 Ang O(18) at 9.59 -2.892 -1.878 in (null):Q-9999 (2) and CG1(50) at 9.31843 -1.03237 -2.10161 in (null):I-9999 (6) other bump:2.69037 Ang O(18) at 9.59 -2.892 -1.878 in (null):Q-9999 (2) and CB(49) at 10.76 -0.508016 -2.3089 in (null):I-9999 (6) other bump:2.61041 Ang OE2(8) at 9.373 -7.719 -4.021 in (null):E-9999 (1) and CG2(44) at 10.0729 -6.25208 -6.06366 in (null):V-9999 (5) self-bump: 2.77771 Ang OE2(8) at 9.373 -7.719 -4.021 in (null):E-9999 (1) and C(10) at 9.274 -6.796 -1.403 in (null):E-9999 (1) Number of specific fragments= 1 total=498 # 1dcnA.22.26 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 22 :QRQVIEAGG 1dcnA 59 :KTELAKILS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66398 Ang CA(12) at 42.37 4.903 58.492 in (null):R-9999 (2) and OE2(52) at 41.6366 5.80946 60.8873 in (null):E-9999 (6) other bump:0.764539 Ang O(20) at 42.043 6.27 60.432 in (null):R-9999 (2) and OE2(52) at 41.6366 5.80946 60.8873 in (null):E-9999 (6) other bump:1.71873 Ang C(21) at 42.848 5.74 59.67 in (null):R-9999 (2) and OE2(52) at 41.6366 5.80946 60.8873 in (null):E-9999 (6) other bump:2.03945 Ang O(20) at 42.043 6.27 60.432 in (null):R-9999 (2) and CD(50) at 40.7943 5.25869 61.688 in (null):E-9999 (6) other bump:2.91914 Ang C(21) at 42.848 5.74 59.67 in (null):R-9999 (2) and CD(50) at 40.7943 5.25869 61.688 in (null):E-9999 (6) Number of specific fragments= 1 total=499 # 1jw2A.22.26 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 22 :QRQVIEAGG 1jw2A 27 :VIEKNKYEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55152 Ang O(20) at -6.463 9.41 0.078 in (null):R-9999 (2) and CG(49) at -4.35143 9.27435 -1.34787 in (null):E-9999 (6) Number of specific fragments= 1 total=500 # 1bct.22.22 read from T0136.t2k.frag # found chain 1bct in template set T0136 22 :QRQVIEAGG 1bct 185 :YPVVWLIGS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63277 Ang OE1(7) at 7.88385 -5.40073 -4.79379 in (null):Q-9999 (1) and CD1(43) at 9.29366 -7.60704 -4.51791 in (null):I-9999 (5) Number of specific fragments= 1 total=501 # 2tct.22.26 read from T0136.t2k.frag # found chain 2tct in template set T0136 22 :QRQVIEAGG 2tct 28 :RKLAQKLGI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72452 Ang CG1(34) at 18.7266 27.724 3.06019 in (null):V-9999 (4) and C(67) at 16.865 26.509 1.485 in (null):G-9999 (9) other bump:1.89566 Ang CG1(34) at 18.7266 27.724 3.06019 in (null):V-9999 (4) and O(66) at 18.058 26.447 1.829 in (null):G-9999 (9) Number of specific fragments= 1 total=502 # 1rypF.22.23 read from T0136.t2k.frag # found chain 1rypF in template set T0136 22 :QRQVIEAGG 1rypF 25 :ALEAIKQGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58948 Ang CD(26) at 4.3927 -78.6348 43.8595 in (null):Q-9999 (3) and OE1(51) at 2.76891 -79.3229 45.7556 in (null):E-9999 (6) other bump:2.25191 Ang OE1(27) at 4.69087 -78.3996 45.0312 in (null):Q-9999 (3) and OE1(51) at 2.76891 -79.3229 45.7556 in (null):E-9999 (6) Number of specific fragments= 1 total=503 # 1a1z.22.22 read from T0136.t2k.frag # found chain 1a1z in template set T0136 22 :QRQVIEAGG 1a1z 23 :LKGLCLGRV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21484 Ang O(9) at 9.59 -2.892 -1.878 in (null):Q-9999 (1) and CD1(43) at 8.96088 -1.17566 -0.627444 in (null):I-9999 (5) other bump:2.7874 Ang C(10) at 9.337 -3.875 -1.212 in (null):Q-9999 (1) and CD1(43) at 8.96088 -1.17566 -0.627444 in (null):I-9999 (5) other bump:1.89261 Ang O(9) at 9.59 -2.892 -1.878 in (null):Q-9999 (1) and CG1(41) at 9.31843 -1.03237 -2.10161 in (null):I-9999 (5) other bump:2.97864 Ang C(10) at 9.337 -3.875 -1.212 in (null):Q-9999 (1) and CG1(41) at 9.31843 -1.03237 -2.10161 in (null):I-9999 (5) other bump:2.69037 Ang O(9) at 9.59 -2.892 -1.878 in (null):Q-9999 (1) and CB(40) at 10.76 -0.508016 -2.3089 in (null):I-9999 (5) Number of specific fragments= 1 total=504 # 1dcnA.23.27 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 23 :RQVIEAGGG 1dcnA 60 :TELAKILSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66398 Ang CA(3) at 42.37 4.903 58.492 in (null):R-9999 (1) and OE2(43) at 41.6366 5.80946 60.8873 in (null):E-9999 (5) other bump:0.76453 Ang O(11) at 42.043 6.27 60.432 in (null):R-9999 (1) and OE2(43) at 41.6366 5.80946 60.8873 in (null):E-9999 (5) other bump:1.71872 Ang C(12) at 42.848 5.74 59.67 in (null):R-9999 (1) and OE2(43) at 41.6366 5.80946 60.8873 in (null):E-9999 (5) other bump:2.03944 Ang O(11) at 42.043 6.27 60.432 in (null):R-9999 (1) and CD(41) at 40.7944 5.25869 61.688 in (null):E-9999 (5) other bump:2.91913 Ang C(12) at 42.848 5.74 59.67 in (null):R-9999 (1) and CD(41) at 40.7944 5.25869 61.688 in (null):E-9999 (5) Number of specific fragments= 1 total=505 # 1jw2A.23.27 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 23 :RQVIEAGGG 1jw2A 28 :IEKNKYELS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55152 Ang O(11) at -6.463 9.41 0.078 in (null):R-9999 (1) and CG(40) at -4.35143 9.27435 -1.34787 in (null):E-9999 (5) Number of specific fragments= 1 total=506 # 1bct.23.23 read from T0136.t2k.frag # found chain 1bct in template set T0136 23 :RQVIEAGGG 1bct 186 :PVVWLIGSE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=507 # 2tct.23.27 read from T0136.t2k.frag # found chain 2tct in template set T0136 23 :RQVIEAGGG 2tct 29 :KLAQKLGIE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06504 Ang CG1(25) at 18.7266 27.724 3.0602 in (null):V-9999 (3) and C(62) at 17.238 29.579 1.127 in (null):G-9999 (9) other bump:2.72452 Ang CG1(25) at 18.7266 27.724 3.0602 in (null):V-9999 (3) and C(58) at 16.865 26.509 1.485 in (null):G-9999 (8) other bump:1.89566 Ang CG1(25) at 18.7266 27.724 3.0602 in (null):V-9999 (3) and O(57) at 18.058 26.447 1.829 in (null):G-9999 (8) Number of specific fragments= 1 total=508 # 1e68A.23.27 read from T0136.t2k.frag # adding 1e68A to template set 1e68A:# found chain 1e68A in template set T0136 23 :RQVIEAGGG 1e68A 28 :IVSILTAVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=509 # 1rypF.23.24 read from T0136.t2k.frag # found chain 1rypF in template set T0136 23 :RQVIEAGGG 1rypF 26 :LEAIKQGSV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58949 Ang CD(17) at 4.39271 -78.6348 43.8595 in (null):Q-9999 (2) and OE1(42) at 2.76891 -79.3229 45.7556 in (null):E-9999 (5) other bump:2.25192 Ang OE1(18) at 4.69087 -78.3996 45.0312 in (null):Q-9999 (2) and OE1(42) at 2.76891 -79.3229 45.7556 in (null):E-9999 (5) Number of specific fragments= 1 total=510 # 1dcnA.24.28 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 24 :QVIEAGGGE 1dcnA 61 :ELAKILSGL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.764539 Ang O(0) at 42.043 6.27 60.432 in (null):G-9999 (0) and OE2(32) at 41.6366 5.80946 60.8873 in (null):E-9999 (4) other bump:1.71873 Ang C(1) at 42.848 5.74 59.67 in (null):G-9999 (0) and OE2(32) at 41.6366 5.80946 60.8873 in (null):E-9999 (4) other bump:2.03945 Ang O(0) at 42.043 6.27 60.432 in (null):G-9999 (0) and CD(30) at 40.7943 5.25869 61.688 in (null):E-9999 (4) other bump:2.91914 Ang C(1) at 42.848 5.74 59.67 in (null):G-9999 (0) and CD(30) at 40.7943 5.25869 61.688 in (null):E-9999 (4) Number of specific fragments= 1 total=511 # 1jw2A.24.28 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 24 :QVIEAGGGE 1jw2A 29 :EKNKYELSD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55152 Ang O(0) at -6.463 9.41 0.078 in (null):G-9999 (0) and CG(29) at -4.35143 9.27435 -1.34787 in (null):E-9999 (4) Number of specific fragments= 1 total=512 # 1bct.24.24 read from T0136.t2k.frag # found chain 1bct in template set T0136 24 :QVIEAGGGE 1bct 187 :VVWLIGSEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=513 # 1e68A.24.28 read from T0136.t2k.frag # found chain 1e68A in template set T0136 24 :QVIEAGGGE 1e68A 29 :VSILTAVGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=514 # 2tct.24.28 read from T0136.t2k.frag # found chain 2tct in template set T0136 24 :QVIEAGGGE 2tct 30 :LAQKLGIEQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06504 Ang CG1(14) at 18.7266 27.724 3.06019 in (null):V-9999 (2) and C(51) at 17.238 29.579 1.127 in (null):G-9999 (8) other bump:2.72452 Ang CG1(14) at 18.7266 27.724 3.06019 in (null):V-9999 (2) and C(47) at 16.865 26.509 1.485 in (null):G-9999 (7) other bump:1.89566 Ang CG1(14) at 18.7266 27.724 3.06019 in (null):V-9999 (2) and O(46) at 18.058 26.447 1.829 in (null):G-9999 (7) Number of specific fragments= 1 total=515 # 2tct.24.27 read from T0136.t2k.frag # found chain 2tct in template set T0136 24 :QVIEAGGGE 2tct 29 :KLAQKLGIE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.3327 Ang CD1(23) at 19.2901 30.7225 4.04042 in (null):I-9999 (3) and CA(62) at 18.502 31.427 1.961 in (null):G-9999 (10) other bump:3.04942 Ang CG2(22) at 18.7371 27.7738 3.07462 in (null):I-9999 (3) and C(60) at 17.238 29.579 1.127 in (null):E-9999 (9) other bump:2.76249 Ang CG2(22) at 18.7371 27.7738 3.07462 in (null):I-9999 (3) and C(51) at 16.865 26.509 1.485 in (null):G-9999 (8) other bump:1.94248 Ang CG2(22) at 18.7371 27.7738 3.07462 in (null):I-9999 (3) and O(50) at 18.058 26.447 1.829 in (null):G-9999 (8) Number of specific fragments= 1 total=516 # 1dcnA.25.29 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 25 :VIEAGGGER 1dcnA 62 :LAKILSGLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=517 # 1jw2A.25.29 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 25 :VIEAGGGER 1jw2A 30 :KNKYELSDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=518 # 1e68A.25.29 read from T0136.t2k.frag # found chain 1e68A in template set T0136 25 :VIEAGGGER 1e68A 30 :SILTAVGSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=519 # 2tct.25.29 read from T0136.t2k.frag # found chain 2tct in template set T0136 25 :VIEAGGGER 2tct 31 :AQKLGIEQP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06504 Ang CG1(5) at 18.7266 27.724 3.0602 in (null):V-9999 (1) and C(42) at 17.238 29.579 1.127 in (null):G-9999 (7) other bump:2.72452 Ang CG1(5) at 18.7266 27.724 3.0602 in (null):V-9999 (1) and C(38) at 16.865 26.509 1.485 in (null):G-9999 (6) other bump:1.89566 Ang CG1(5) at 18.7266 27.724 3.0602 in (null):V-9999 (1) and O(37) at 18.058 26.447 1.829 in (null):G-9999 (6) Number of specific fragments= 1 total=520 # 2tct.25.28 read from T0136.t2k.frag # found chain 2tct in template set T0136 25 :VIEAGGGER 2tct 30 :LAQKLGIEQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93839 Ang CD1(14) at 19.2901 30.7225 4.04043 in (null):I-9999 (2) and CB(54) at 19.8902 32.1156 1.52388 in (null):R-9999 (9) other bump:2.3327 Ang CD1(14) at 19.2901 30.7225 4.04043 in (null):I-9999 (2) and CA(53) at 18.502 31.427 1.961 in (null):R-9999 (9) other bump:3.04943 Ang CG2(13) at 18.7371 27.7738 3.07463 in (null):I-9999 (2) and C(51) at 17.238 29.579 1.127 in (null):E-9999 (8) other bump:2.76249 Ang CG2(13) at 18.7371 27.7738 3.07463 in (null):I-9999 (2) and C(42) at 16.865 26.509 1.485 in (null):G-9999 (7) other bump:1.94248 Ang CG2(13) at 18.7371 27.7738 3.07463 in (null):I-9999 (2) and O(41) at 18.058 26.447 1.829 in (null):G-9999 (7) Number of specific fragments= 1 total=521 # 1a1z.25.25 read from T0136.t2k.frag # found chain 1a1z in template set T0136 25 :VIEAGGGER 1a1z 26 :LCLGRVGKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=522 # 1dcnA.26.30 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 26 :IEAGGGERR 1dcnA 63 :AKILSGLEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=523 # 1e68A.26.30 read from T0136.t2k.frag # found chain 1e68A in template set T0136 26 :IEAGGGERR 1e68A 31 :ILTAVGSGG Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94173 Ang C(1) at 9.802 6.313 -3.227 in (null):G-9999 (0) and NH2(64) at 8.99372 3.94651 -1.67776 in (null):R-9999 (9) other bump:2.23396 Ang C(1) at 9.802 6.313 -3.227 in (null):G-9999 (0) and NH1(63) at 10.2196 5.84452 -1.083 in (null):R-9999 (9) other bump:2.09762 Ang O(0) at 10.016 7.321 -2.559 in (null):G-9999 (0) and NH1(63) at 10.2196 5.84452 -1.083 in (null):R-9999 (9) other bump:2.59748 Ang N(19) at 8.359 6.888 0.399 in (null):A-9999 (3) and NH1(63) at 10.2196 5.84452 -1.083 in (null):R-9999 (9) other bump:2.83805 Ang N(10) at 6.742 6.46 -1.98 in (null):E-9999 (2) and CZ(62) at 9.08912 5.15377 -1.06385 in (null):R-9999 (9) other bump:3.253 Ang C(18) at 7.086 7.285 0.36 in (null):E-9999 (2) and CZ(62) at 9.08912 5.15377 -1.06385 in (null):R-9999 (9) other bump:2.55563 Ang C(1) at 9.802 6.313 -3.227 in (null):G-9999 (0) and CZ(62) at 9.08912 5.15377 -1.06385 in (null):R-9999 (9) other bump:2.3834 Ang N(19) at 8.359 6.888 0.399 in (null):A-9999 (3) and CZ(62) at 9.08912 5.15377 -1.06385 in (null):R-9999 (9) other bump:2.22129 Ang CB(12) at 5.89369 5.19162 0.00360664 in (null):E-9999 (2) and NE(61) at 8.01138 5.65968 -0.476443 in (null):R-9999 (9) other bump:2.12427 Ang N(10) at 6.742 6.46 -1.98 in (null):E-9999 (2) and NE(61) at 8.01138 5.65968 -0.476443 in (null):R-9999 (9) other bump:2.02757 Ang CA(11) at 6.181 6.52 -0.62 in (null):E-9999 (2) and NE(61) at 8.01138 5.65968 -0.476443 in (null):R-9999 (9) other bump:2.04881 Ang C(18) at 7.086 7.285 0.36 in (null):E-9999 (2) and NE(61) at 8.01138 5.65968 -0.476443 in (null):R-9999 (9) other bump:1.5479 Ang N(19) at 8.359 6.888 0.399 in (null):A-9999 (3) and NE(61) at 8.01138 5.65968 -0.476443 in (null):R-9999 (9) other bump:2.88436 Ang CA(20) at 9.364 7.503 1.282 in (null):A-9999 (3) and NE(61) at 8.01138 5.65968 -0.476443 in (null):R-9999 (9) other bump:2.62525 Ang CB(12) at 5.89369 5.19162 0.00360664 in (null):E-9999 (2) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:3.162 Ang C(9) at 6.962 7.498 -2.778 in (null):I-9999 (1) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:2.49421 Ang N(10) at 6.742 6.46 -1.98 in (null):E-9999 (2) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:1.9036 Ang CA(11) at 6.181 6.52 -0.62 in (null):E-9999 (2) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:1.93527 Ang O(17) at 6.633 8.154 1.097 in (null):E-9999 (2) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:0.849183 Ang C(18) at 7.086 7.285 0.36 in (null):E-9999 (2) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:0.551386 Ang N(19) at 8.359 6.888 0.399 in (null):A-9999 (3) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:1.94604 Ang CA(20) at 9.364 7.503 1.282 in (null):A-9999 (3) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:3.05731 Ang CB(21) at 10.646 6.691 1.406 in (null):A-9999 (3) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:2.85054 Ang C(23) at 9.765 8.931 0.884 in (null):A-9999 (3) and CD(60) at 7.84482 6.93636 0.205859 in (null):R-9999 (9) other bump:2.28524 Ang CB(12) at 5.89369 5.19162 0.00360664 in (null):E-9999 (2) and CG(59) at 6.73077 6.91212 1.25321 in (null):R-9999 (9) other bump:1.99121 Ang CA(11) at 6.181 6.52 -0.62 in (null):E-9999 (2) and CG(59) at 6.73077 6.91212 1.25321 in (null):R-9999 (9) other bump:1.25548 Ang O(17) at 6.633 8.154 1.097 in (null):E-9999 (2) and CG(59) at 6.73077 6.91212 1.25321 in (null):R-9999 (9) other bump:1.03105 Ang C(18) at 7.086 7.285 0.36 in (null):E-9999 (2) and CG(59) at 6.73077 6.91212 1.25321 in (null):R-9999 (9) other bump:1.83885 Ang N(19) at 8.359 6.888 0.399 in (null):A-9999 (3) and CG(59) at 6.73077 6.91212 1.25321 in (null):R-9999 (9) other bump:2.69886 Ang CA(20) at 9.364 7.503 1.282 in (null):A-9999 (3) and CG(59) at 6.73077 6.91212 1.25321 in (null):R-9999 (9) other bump:3.06267 Ang CB(12) at 5.89369 5.19162 0.00360664 in (null):E-9999 (2) and CB(58) at 7.29211 6.22379 2.52531 in (null):R-9999 (9) other bump:2.49002 Ang O(17) at 6.633 8.154 1.097 in (null):E-9999 (2) and CB(58) at 7.29211 6.22379 2.52531 in (null):R-9999 (9) other bump:2.42017 Ang C(18) at 7.086 7.285 0.36 in (null):E-9999 (2) and CB(58) at 7.29211 6.22379 2.52531 in (null):R-9999 (9) other bump:2.46995 Ang N(19) at 8.359 6.888 0.399 in (null):A-9999 (3) and CB(58) at 7.29211 6.22379 2.52531 in (null):R-9999 (9) other bump:2.73404 Ang CA(20) at 9.364 7.503 1.282 in (null):A-9999 (3) and CB(58) at 7.29211 6.22379 2.52531 in (null):R-9999 (9) Number of specific fragments= 1 total=524 # 1jw2A.26.30 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 26 :IEAGGGERR 1jw2A 31 :NKYELSDNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=525 # 2tct.26.29 read from T0136.t2k.frag # found chain 2tct in template set T0136 26 :IEAGGGERR 2tct 31 :AQKLGIEQP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93839 Ang CD1(7) at 19.2901 30.7225 4.04042 in (null):I-9999 (1) and CB(47) at 19.8902 32.1156 1.52388 in (null):R-9999 (8) other bump:2.3327 Ang CD1(7) at 19.2901 30.7225 4.04042 in (null):I-9999 (1) and CA(46) at 18.502 31.427 1.961 in (null):R-9999 (8) other bump:3.04942 Ang CG2(6) at 18.7371 27.7738 3.07463 in (null):I-9999 (1) and C(44) at 17.238 29.579 1.127 in (null):E-9999 (7) other bump:2.76249 Ang CG2(6) at 18.7371 27.7738 3.07463 in (null):I-9999 (1) and C(35) at 16.865 26.509 1.485 in (null):G-9999 (6) other bump:1.94248 Ang CG2(6) at 18.7371 27.7738 3.07463 in (null):I-9999 (1) and O(34) at 18.058 26.447 1.829 in (null):G-9999 (6) Number of specific fragments= 1 total=526 # 2tct.26.30 read from T0136.t2k.frag # found chain 2tct in template set T0136 26 :IEAGGGERR 2tct 32 :QKLGIEQPT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.49341 Ang CA(29) at 15.824 25.533 1.963 in (null):G-9999 (5) and NH2(64) at 14.3976 25.3213 2.35125 in (null):R-9999 (9) other bump:2.90488 Ang C(27) at 16.381 23.199 2.342 in (null):G-9999 (4) and NH2(64) at 14.3976 25.3213 2.35125 in (null):R-9999 (9) other bump:2.39893 Ang N(28) at 16.637 24.484 2.548 in (null):G-9999 (5) and NH2(64) at 14.3976 25.3213 2.35125 in (null):R-9999 (9) other bump:2.87214 Ang C(31) at 16.865 26.509 1.485 in (null):G-9999 (5) and NH2(64) at 14.3976 25.3213 2.35125 in (null):R-9999 (9) other bump:2.71127 Ang CA(29) at 15.824 25.533 1.963 in (null):G-9999 (5) and CZ(62) at 13.1739 25.8431 2.4445 in (null):R-9999 (9) Number of specific fragments= 1 total=527 # 1a1z.26.26 read from T0136.t2k.frag # found chain 1a1z in template set T0136 26 :IEAGGGERR 1a1z 27 :CLGRVGKRK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76398 Ang C(31) at 11.418 4.815 -4.674 in (null):G-9999 (5) and NH2(64) at 11.0111 7.54685 -4.77903 in (null):R-9999 (9) other bump:1.7881 Ang O(30) at 11.56 5.899 -5.204 in (null):G-9999 (5) and NH2(64) at 11.0111 7.54685 -4.77903 in (null):R-9999 (9) Number of specific fragments= 1 total=528 # 1dcnA.27.31 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 27 :EAGGGERRV 1dcnA 64 :KILSGLEKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=529 # 1e68A.27.31 read from T0136.t2k.frag # found chain 1e68A in template set T0136 27 :EAGGGERRV 1e68A 32 :LTAVGSGGL Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59748 Ang N(11) at 8.359 6.888 0.399 in (null):A-9999 (2) and NH1(55) at 10.2196 5.84452 -1.08299 in (null):R-9999 (8) other bump:2.83805 Ang N(2) at 6.742 6.46 -1.98 in (null):E-9999 (1) and CZ(54) at 9.08912 5.15377 -1.06385 in (null):R-9999 (8) other bump:3.253 Ang C(10) at 7.086 7.285 0.36 in (null):E-9999 (1) and CZ(54) at 9.08912 5.15377 -1.06385 in (null):R-9999 (8) other bump:2.38339 Ang N(11) at 8.359 6.888 0.399 in (null):A-9999 (2) and CZ(54) at 9.08912 5.15377 -1.06385 in (null):R-9999 (8) other bump:2.22129 Ang CB(4) at 5.89369 5.19162 0.00360526 in (null):E-9999 (1) and NE(53) at 8.01138 5.65969 -0.476442 in (null):R-9999 (8) other bump:2.12427 Ang N(2) at 6.742 6.46 -1.98 in (null):E-9999 (1) and NE(53) at 8.01138 5.65969 -0.476442 in (null):R-9999 (8) other bump:2.02757 Ang CA(3) at 6.181 6.52 -0.62 in (null):E-9999 (1) and NE(53) at 8.01138 5.65969 -0.476442 in (null):R-9999 (8) other bump:2.04881 Ang C(10) at 7.086 7.285 0.36 in (null):E-9999 (1) and NE(53) at 8.01138 5.65969 -0.476442 in (null):R-9999 (8) other bump:1.5479 Ang N(11) at 8.359 6.888 0.399 in (null):A-9999 (2) and NE(53) at 8.01138 5.65969 -0.476442 in (null):R-9999 (8) other bump:2.88436 Ang CA(12) at 9.364 7.503 1.282 in (null):A-9999 (2) and NE(53) at 8.01138 5.65969 -0.476442 in (null):R-9999 (8) other bump:2.62525 Ang CB(4) at 5.89369 5.19162 0.00360526 in (null):E-9999 (1) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:3.162 Ang C(1) at 6.962 7.498 -2.778 in (null):G-9999 (0) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:2.49421 Ang N(2) at 6.742 6.46 -1.98 in (null):E-9999 (1) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:1.9036 Ang CA(3) at 6.181 6.52 -0.62 in (null):E-9999 (1) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:1.93527 Ang O(9) at 6.633 8.154 1.097 in (null):E-9999 (1) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:0.849179 Ang C(10) at 7.086 7.285 0.36 in (null):E-9999 (1) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:0.551389 Ang N(11) at 8.359 6.888 0.399 in (null):A-9999 (2) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:1.94604 Ang CA(12) at 9.364 7.503 1.282 in (null):A-9999 (2) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:3.05732 Ang CB(13) at 10.646 6.691 1.406 in (null):A-9999 (2) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:2.85054 Ang C(15) at 9.765 8.931 0.884 in (null):A-9999 (2) and CD(52) at 7.84481 6.93636 0.20586 in (null):R-9999 (8) other bump:2.28525 Ang CB(4) at 5.89369 5.19162 0.00360526 in (null):E-9999 (1) and CG(51) at 6.73077 6.91212 1.25321 in (null):R-9999 (8) other bump:1.99122 Ang CA(3) at 6.181 6.52 -0.62 in (null):E-9999 (1) and CG(51) at 6.73077 6.91212 1.25321 in (null):R-9999 (8) other bump:1.25548 Ang O(9) at 6.633 8.154 1.097 in (null):E-9999 (1) and CG(51) at 6.73077 6.91212 1.25321 in (null):R-9999 (8) other bump:1.03105 Ang C(10) at 7.086 7.285 0.36 in (null):E-9999 (1) and CG(51) at 6.73077 6.91212 1.25321 in (null):R-9999 (8) other bump:1.83886 Ang N(11) at 8.359 6.888 0.399 in (null):A-9999 (2) and CG(51) at 6.73077 6.91212 1.25321 in (null):R-9999 (8) other bump:2.69886 Ang CA(12) at 9.364 7.503 1.282 in (null):A-9999 (2) and CG(51) at 6.73077 6.91212 1.25321 in (null):R-9999 (8) other bump:3.06267 Ang CB(4) at 5.89369 5.19162 0.00360526 in (null):E-9999 (1) and CB(50) at 7.29211 6.2238 2.52532 in (null):R-9999 (8) other bump:2.49002 Ang O(9) at 6.633 8.154 1.097 in (null):E-9999 (1) and CB(50) at 7.29211 6.2238 2.52532 in (null):R-9999 (8) other bump:2.42017 Ang C(10) at 7.086 7.285 0.36 in (null):E-9999 (1) and CB(50) at 7.29211 6.2238 2.52532 in (null):R-9999 (8) other bump:2.46995 Ang N(11) at 8.359 6.888 0.399 in (null):A-9999 (2) and CB(50) at 7.29211 6.2238 2.52532 in (null):R-9999 (8) other bump:2.73403 Ang CA(12) at 9.364 7.503 1.282 in (null):A-9999 (2) and CB(50) at 7.29211 6.2238 2.52532 in (null):R-9999 (8) Number of specific fragments= 1 total=530 # 1jw2A.27.31 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 27 :EAGGGERRV 1jw2A 32 :KYELSDNEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50792 Ang O(26) at 2.908 13.034 0.099 in (null):G-9999 (5) and CG2(63) at 0.744856 11.8597 -0.382098 in (null):V-9999 (9) Number of specific fragments= 1 total=531 # 2tct.27.30 read from T0136.t2k.frag # found chain 2tct in template set T0136 27 :EAGGGERRV 2tct 32 :QKLGIEQPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=532 # 2tct.27.31 read from T0136.t2k.frag # found chain 2tct in template set T0136 27 :EAGGGERRV 2tct 33 :KLGIEQPTL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90489 Ang C(19) at 16.381 23.199 2.342 in (null):G-9999 (3) and NH2(56) at 14.3976 25.3213 2.35124 in (null):R-9999 (8) other bump:2.39894 Ang N(20) at 16.637 24.484 2.548 in (null):G-9999 (4) and NH2(56) at 14.3976 25.3213 2.35124 in (null):R-9999 (8) other bump:1.49342 Ang CA(21) at 15.824 25.533 1.963 in (null):G-9999 (4) and NH2(56) at 14.3976 25.3213 2.35124 in (null):R-9999 (8) other bump:2.87215 Ang C(23) at 16.865 26.509 1.485 in (null):G-9999 (4) and NH2(56) at 14.3976 25.3213 2.35124 in (null):R-9999 (8) other bump:2.71128 Ang CA(21) at 15.824 25.533 1.963 in (null):G-9999 (4) and CZ(54) at 13.1739 25.8431 2.4445 in (null):R-9999 (8) Number of specific fragments= 1 total=533 # 1a91.27.27 read from T0136.t2k.frag # adding 1a91 to template set 1a91:# found chain 1a91 in template set T0136 27 :EAGGGERRV 1a91 28 :IGILGGKFL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27194 Ang O(14) at -12.385 -5.163 -2.777 in (null):A-9999 (2) and CD(32) at -12.987 -6.28581 -4.65812 in (null):E-9999 (6) other bump:3.15398 Ang C(15) at -11.251 -5.096 -2.309 in (null):A-9999 (2) and CD(32) at -12.987 -6.28581 -4.65812 in (null):E-9999 (6) other bump:2.08401 Ang O(14) at -12.385 -5.163 -2.777 in (null):A-9999 (2) and CG(31) at -13.6353 -4.93588 -4.42873 in (null):E-9999 (6) other bump:3.19435 Ang C(15) at -11.251 -5.096 -2.309 in (null):A-9999 (2) and CG(31) at -13.6353 -4.93588 -4.42873 in (null):E-9999 (6) other bump:2.54535 Ang O(14) at -12.385 -5.163 -2.777 in (null):A-9999 (2) and CB(30) at -14.821 -4.97705 -3.49138 in (null):E-9999 (6) Number of specific fragments= 1 total=534 # 1dcnA.28.32 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 28 :AGGGERRVE 1dcnA 65 :ILSGLEKIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=535 # 1e68A.28.32 read from T0136.t2k.frag # found chain 1e68A in template set T0136 28 :AGGGERRVE 1e68A 33 :TAVGSGGLS Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11733 Ang OE2(25) at 6.88777 7.64226 10.9219 in (null):E-9999 (5) and OE1(62) at 6.03218 5.88478 11.7357 in (null):E-9999 (9) other bump:2.59748 Ang N(2) at 8.359 6.888 0.399 in (null):A-9999 (1) and NH1(46) at 10.2196 5.84452 -1.08299 in (null):R-9999 (7) other bump:3.253 Ang C(1) at 7.086 7.285 0.36 in (null):G-9999 (0) and CZ(45) at 9.08912 5.15377 -1.06385 in (null):R-9999 (7) other bump:2.38339 Ang N(2) at 8.359 6.888 0.399 in (null):A-9999 (1) and CZ(45) at 9.08912 5.15377 -1.06385 in (null):R-9999 (7) other bump:2.04881 Ang C(1) at 7.086 7.285 0.36 in (null):G-9999 (0) and NE(44) at 8.01138 5.65969 -0.476442 in (null):R-9999 (7) other bump:1.5479 Ang N(2) at 8.359 6.888 0.399 in (null):A-9999 (1) and NE(44) at 8.01138 5.65969 -0.476442 in (null):R-9999 (7) other bump:2.88436 Ang CA(3) at 9.364 7.503 1.282 in (null):A-9999 (1) and NE(44) at 8.01138 5.65969 -0.476442 in (null):R-9999 (7) other bump:1.93527 Ang O(0) at 6.633 8.154 1.097 in (null):G-9999 (0) and CD(43) at 7.84481 6.93636 0.20586 in (null):R-9999 (7) other bump:0.849179 Ang C(1) at 7.086 7.285 0.36 in (null):G-9999 (0) and CD(43) at 7.84481 6.93636 0.20586 in (null):R-9999 (7) other bump:0.551389 Ang N(2) at 8.359 6.888 0.399 in (null):A-9999 (1) and CD(43) at 7.84481 6.93636 0.20586 in (null):R-9999 (7) other bump:1.94604 Ang CA(3) at 9.364 7.503 1.282 in (null):A-9999 (1) and CD(43) at 7.84481 6.93636 0.20586 in (null):R-9999 (7) other bump:3.05732 Ang CB(4) at 10.646 6.691 1.406 in (null):A-9999 (1) and CD(43) at 7.84481 6.93636 0.20586 in (null):R-9999 (7) other bump:2.85054 Ang C(6) at 9.765 8.931 0.884 in (null):A-9999 (1) and CD(43) at 7.84481 6.93636 0.20586 in (null):R-9999 (7) other bump:1.25548 Ang O(0) at 6.633 8.154 1.097 in (null):G-9999 (0) and CG(42) at 6.73077 6.91212 1.25321 in (null):R-9999 (7) other bump:1.03105 Ang C(1) at 7.086 7.285 0.36 in (null):G-9999 (0) and CG(42) at 6.73077 6.91212 1.25321 in (null):R-9999 (7) other bump:1.83886 Ang N(2) at 8.359 6.888 0.399 in (null):A-9999 (1) and CG(42) at 6.73077 6.91212 1.25321 in (null):R-9999 (7) other bump:2.69886 Ang CA(3) at 9.364 7.503 1.282 in (null):A-9999 (1) and CG(42) at 6.73077 6.91212 1.25321 in (null):R-9999 (7) other bump:2.49002 Ang O(0) at 6.633 8.154 1.097 in (null):G-9999 (0) and CB(41) at 7.29211 6.2238 2.52532 in (null):R-9999 (7) other bump:2.42017 Ang C(1) at 7.086 7.285 0.36 in (null):G-9999 (0) and CB(41) at 7.29211 6.2238 2.52532 in (null):R-9999 (7) other bump:2.46995 Ang N(2) at 8.359 6.888 0.399 in (null):A-9999 (1) and CB(41) at 7.29211 6.2238 2.52532 in (null):R-9999 (7) other bump:2.73403 Ang CA(3) at 9.364 7.503 1.282 in (null):A-9999 (1) and CB(41) at 7.29211 6.2238 2.52532 in (null):R-9999 (7) Number of specific fragments= 1 total=536 # 1k6dA.28.28 read from T0136.t2k.frag # adding 1k6dA to template set 1k6dA:# found chain 1k6dA in template set T0136 28 :AGGGERRVE 1k6dA 29 :IGTPSRLVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=537 # 1jw2A.28.32 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 28 :AGGGERRVE 1jw2A 33 :YELSDNELA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.5083 Ang O(26) at 5.455 10.743 -1.171 in (null):E-9999 (5) and OE2(63) at 6.2528 10.192 -2.32639 in (null):E-9999 (9) other bump:2.34092 Ang C(27) at 5.341 11.966 -1.101 in (null):E-9999 (5) and OE2(63) at 6.2528 10.192 -2.32639 in (null):E-9999 (9) other bump:1.35916 Ang O(26) at 5.455 10.743 -1.171 in (null):E-9999 (5) and OE1(62) at 5.98455 10.0008 -0.162984 in (null):E-9999 (9) other bump:2.27066 Ang C(27) at 5.341 11.966 -1.101 in (null):E-9999 (5) and OE1(62) at 5.98455 10.0008 -0.162984 in (null):E-9999 (9) other bump:2.44725 Ang CA(29) at 6.777 12.077 0.862 in (null):R-9999 (6) and OE1(62) at 5.98455 10.0008 -0.162984 in (null):E-9999 (9) other bump:2.40468 Ang O(37) at 6.268 10.169 2.219 in (null):R-9999 (6) and OE1(62) at 5.98455 10.0008 -0.162984 in (null):E-9999 (9) other bump:2.45168 Ang C(38) at 5.957 11.319 1.904 in (null):R-9999 (6) and OE1(62) at 5.98455 10.0008 -0.162984 in (null):E-9999 (9) other bump:1.43052 Ang O(26) at 5.455 10.743 -1.171 in (null):E-9999 (5) and CD(61) at 6.15088 9.49929 -1.29473 in (null):E-9999 (9) other bump:2.60348 Ang C(27) at 5.341 11.966 -1.101 in (null):E-9999 (5) and CD(61) at 6.15088 9.49929 -1.29473 in (null):E-9999 (9) other bump:2.50792 Ang O(17) at 2.908 13.034 0.099 in (null):G-9999 (4) and CG2(54) at 0.744859 11.8597 -0.382101 in (null):V-9999 (8) Number of specific fragments= 1 total=538 # 1a91.28.28 read from T0136.t2k.frag # found chain 1a91 in template set T0136 28 :AGGGERRVE 1a91 29 :GILGGKFLE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27194 Ang O(5) at -12.385 -5.163 -2.777 in (null):A-9999 (1) and CD(23) at -12.987 -6.28581 -4.65812 in (null):E-9999 (5) other bump:3.15398 Ang C(6) at -11.251 -5.096 -2.309 in (null):A-9999 (1) and CD(23) at -12.987 -6.28581 -4.65812 in (null):E-9999 (5) other bump:2.08401 Ang O(5) at -12.385 -5.163 -2.777 in (null):A-9999 (1) and CG(22) at -13.6353 -4.93588 -4.42873 in (null):E-9999 (5) other bump:3.19435 Ang C(6) at -11.251 -5.096 -2.309 in (null):A-9999 (1) and CG(22) at -13.6353 -4.93588 -4.42873 in (null):E-9999 (5) other bump:2.54535 Ang O(5) at -12.385 -5.163 -2.777 in (null):A-9999 (1) and CB(21) at -14.821 -4.97705 -3.49138 in (null):E-9999 (5) Number of specific fragments= 1 total=539 # 2tct.28.32 read from T0136.t2k.frag # found chain 2tct in template set T0136 28 :AGGGERRVE 2tct 34 :LGIEQPTLY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90489 Ang C(10) at 16.381 23.199 2.342 in (null):G-9999 (2) and NH2(47) at 14.3976 25.3213 2.35124 in (null):R-9999 (7) other bump:2.39894 Ang N(11) at 16.637 24.484 2.548 in (null):G-9999 (3) and NH2(47) at 14.3976 25.3213 2.35124 in (null):R-9999 (7) other bump:1.49342 Ang CA(12) at 15.824 25.533 1.963 in (null):G-9999 (3) and NH2(47) at 14.3976 25.3213 2.35124 in (null):R-9999 (7) other bump:2.87215 Ang C(14) at 16.865 26.509 1.485 in (null):G-9999 (3) and NH2(47) at 14.3976 25.3213 2.35124 in (null):R-9999 (7) other bump:2.71128 Ang CA(12) at 15.824 25.533 1.963 in (null):G-9999 (3) and CZ(45) at 13.1739 25.8431 2.4445 in (null):R-9999 (7) Number of specific fragments= 1 total=540 # 1dcnA.29.33 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 29 :GGGERRVEK 1dcnA 66 :LSGLEKISE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73098 Ang CA(24) at 37.238 15.985 67.939 in (null):R-9999 (5) and OE1(57) at 38.7908 17.7744 69.2974 in (null):E-9999 (8) other bump:1.65399 Ang O(21) at 39.236 16.291 69.878 in (null):E-9999 (4) and OE1(57) at 38.7908 17.7744 69.2974 in (null):E-9999 (8) other bump:2.28652 Ang C(22) at 39.476 15.636 68.866 in (null):E-9999 (4) and OE1(57) at 38.7908 17.7744 69.2974 in (null):E-9999 (8) other bump:2.62247 Ang O(21) at 39.236 16.291 69.878 in (null):E-9999 (4) and CD(56) at 39.382 18.8682 69.4155 in (null):E-9999 (8) Number of specific fragments= 1 total=541 # 1e68A.29.33 read from T0136.t2k.frag # found chain 1e68A in template set T0136 29 :GGGERRVEK 1e68A 34 :AVGSGGLSL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51428 Ang CG(17) at 6.21985 9.63152 9.79348 in (null):E-9999 (4) and OE2(58) at 5.86498 8.17283 9.99173 in (null):E-9999 (8) other bump:1.54465 Ang CD(18) at 7.27749 8.6829 10.3531 in (null):E-9999 (4) and OE2(58) at 5.86498 8.17283 9.99173 in (null):E-9999 (8) other bump:1.48084 Ang OE2(20) at 6.88777 7.64226 10.9219 in (null):E-9999 (4) and OE2(58) at 5.86498 8.17283 9.99173 in (null):E-9999 (8) other bump:1.28639 Ang O(21) at 6.116 7.515 7.275 in (null):E-9999 (4) and OE1(57) at 5.11753 7.4146 8.07986 in (null):E-9999 (8) other bump:1.95096 Ang C(22) at 6.052 8.691 6.938 in (null):E-9999 (4) and OE1(57) at 5.11753 7.4146 8.07986 in (null):E-9999 (8) other bump:2.53212 Ang CG(17) at 6.21985 9.63152 9.79348 in (null):E-9999 (4) and CD(56) at 5.18146 7.36983 9.32645 in (null):E-9999 (8) other bump:2.67796 Ang CD(18) at 7.27749 8.6829 10.3531 in (null):E-9999 (4) and CD(56) at 5.18146 7.36983 9.32645 in (null):E-9999 (8) other bump:2.35187 Ang OE2(20) at 6.88777 7.64226 10.9219 in (null):E-9999 (4) and CD(56) at 5.18146 7.36983 9.32645 in (null):E-9999 (8) other bump:2.25895 Ang O(21) at 6.116 7.515 7.275 in (null):E-9999 (4) and CD(56) at 5.18146 7.36983 9.32645 in (null):E-9999 (8) other bump:2.86496 Ang C(22) at 6.052 8.691 6.938 in (null):E-9999 (4) and CD(56) at 5.18146 7.36983 9.32645 in (null):E-9999 (8) other bump:2.85054 Ang C(1) at 9.765 8.931 0.884 in (null):G-9999 (0) and CD(38) at 7.84481 6.93636 0.20586 in (null):R-9999 (6) Number of specific fragments= 1 total=542 # 1k6dA.29.29 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 29 :GGGERRVEK 1k6dA 30 :GTPSRLVEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=543 # 1a91.29.29 read from T0136.t2k.frag # found chain 1a91 in template set T0136 29 :GGGERRVEK 1a91 30 :ILGGKFLEG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27194 Ang O(0) at -12.385 -5.163 -2.777 in (null):G-9999 (0) and CD(18) at -12.987 -6.28581 -4.65812 in (null):E-9999 (4) other bump:3.15398 Ang C(1) at -11.251 -5.096 -2.309 in (null):G-9999 (0) and CD(18) at -12.987 -6.28581 -4.65812 in (null):E-9999 (4) other bump:2.08401 Ang O(0) at -12.385 -5.163 -2.777 in (null):G-9999 (0) and CG(17) at -13.6353 -4.93588 -4.42873 in (null):E-9999 (4) other bump:3.19435 Ang C(1) at -11.251 -5.096 -2.309 in (null):G-9999 (0) and CG(17) at -13.6353 -4.93588 -4.42873 in (null):E-9999 (4) other bump:2.54535 Ang O(0) at -12.385 -5.163 -2.777 in (null):G-9999 (0) and CB(16) at -14.821 -4.97705 -3.49138 in (null):E-9999 (4) Number of specific fragments= 1 total=544 # 2tct.29.33 read from T0136.t2k.frag # found chain 2tct in template set T0136 29 :GGGERRVEK 2tct 35 :GIEQPTLYW Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90489 Ang C(5) at 16.381 23.199 2.342 in (null):G-9999 (1) and NH2(42) at 14.3976 25.3213 2.35124 in (null):R-9999 (6) other bump:1.49342 Ang CA(7) at 15.824 25.533 1.963 in (null):G-9999 (2) and NH2(42) at 14.3976 25.3213 2.35124 in (null):R-9999 (6) other bump:2.39894 Ang N(6) at 16.637 24.484 2.548 in (null):G-9999 (2) and NH2(42) at 14.3976 25.3213 2.35124 in (null):R-9999 (6) other bump:2.87215 Ang C(9) at 16.865 26.509 1.485 in (null):G-9999 (2) and NH2(42) at 14.3976 25.3213 2.35124 in (null):R-9999 (6) other bump:2.71128 Ang CA(7) at 15.824 25.533 1.963 in (null):G-9999 (2) and CZ(40) at 13.1739 25.8431 2.4445 in (null):R-9999 (6) Number of specific fragments= 1 total=545 # 1jw2A.29.33 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 29 :GGGERRVEK 1jw2A 34 :ELSDNELAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50792 Ang O(12) at 2.908 13.034 0.099 in (null):G-9999 (3) and CG2(49) at 0.744859 11.8597 -0.382101 in (null):V-9999 (7) Number of specific fragments= 1 total=546 # 1dcnA.30.34 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 30 :GGERRVEKQ 1dcnA 67 :SGLEKISEE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73098 Ang CA(20) at 37.238 15.985 67.939 in (null):R-9999 (4) and OE1(53) at 38.7908 17.7744 69.2974 in (null):E-9999 (7) other bump:1.65399 Ang O(17) at 39.236 16.291 69.878 in (null):E-9999 (3) and OE1(53) at 38.7908 17.7744 69.2974 in (null):E-9999 (7) other bump:2.28652 Ang C(18) at 39.476 15.636 68.866 in (null):E-9999 (3) and OE1(53) at 38.7908 17.7744 69.2974 in (null):E-9999 (7) other bump:2.62247 Ang O(17) at 39.236 16.291 69.878 in (null):E-9999 (3) and CD(52) at 39.382 18.8682 69.4155 in (null):E-9999 (7) Number of specific fragments= 1 total=547 # 1e68A.30.34 read from T0136.t2k.frag # found chain 1e68A in template set T0136 30 :GGERRVEKQ 1e68A 35 :VGSGGLSLL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51428 Ang CG(13) at 6.21985 9.63152 9.79348 in (null):E-9999 (3) and OE2(54) at 5.86498 8.17283 9.99173 in (null):E-9999 (7) other bump:1.54465 Ang CD(14) at 7.27749 8.6829 10.3531 in (null):E-9999 (3) and OE2(54) at 5.86498 8.17283 9.99173 in (null):E-9999 (7) other bump:1.48084 Ang OE2(16) at 6.88777 7.64226 10.9219 in (null):E-9999 (3) and OE2(54) at 5.86498 8.17283 9.99173 in (null):E-9999 (7) other bump:1.28639 Ang O(17) at 6.116 7.515 7.275 in (null):E-9999 (3) and OE1(53) at 5.11753 7.4146 8.07986 in (null):E-9999 (7) other bump:1.95096 Ang C(18) at 6.052 8.691 6.938 in (null):E-9999 (3) and OE1(53) at 5.11753 7.4146 8.07986 in (null):E-9999 (7) other bump:2.53212 Ang CG(13) at 6.21985 9.63152 9.79348 in (null):E-9999 (3) and CD(52) at 5.18146 7.36983 9.32645 in (null):E-9999 (7) other bump:2.25895 Ang O(17) at 6.116 7.515 7.275 in (null):E-9999 (3) and CD(52) at 5.18146 7.36983 9.32645 in (null):E-9999 (7) other bump:2.86496 Ang C(18) at 6.052 8.691 6.938 in (null):E-9999 (3) and CD(52) at 5.18146 7.36983 9.32645 in (null):E-9999 (7) other bump:2.67796 Ang CD(14) at 7.27749 8.6829 10.3531 in (null):E-9999 (3) and CD(52) at 5.18146 7.36983 9.32645 in (null):E-9999 (7) other bump:2.35187 Ang OE2(16) at 6.88777 7.64226 10.9219 in (null):E-9999 (3) and CD(52) at 5.18146 7.36983 9.32645 in (null):E-9999 (7) Number of specific fragments= 1 total=548 # 1k6dA.30.30 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 30 :GGERRVEKQ 1k6dA 31 :TPSRLVEAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=549 # 1a91.30.30 read from T0136.t2k.frag # found chain 1a91 in template set T0136 30 :GGERRVEKQ 1a91 31 :LGGKFLEGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=550 # 1cy5A.30.32 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 30 :GGERRVEKQ 1cy5A 33 :GFLTISEEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9753 Ang NE(24) at -0.617982 -1.79756 5.53646 in (null):R-9999 (4) and CD(52) at 0.656 0.422 7.054 in (null):E-9999 (7) Number of specific fragments= 1 total=551 # 1jw2A.30.34 read from T0136.t2k.frag # found chain 1jw2A in template set T0136 30 :GGERRVEKQ 1jw2A 35 :LSDNELAVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50792 Ang O(8) at 2.908 13.034 0.099 in (null):G-9999 (2) and CG2(45) at 0.744859 11.8597 -0.382101 in (null):V-9999 (6) Number of specific fragments= 1 total=552 # 1dcnA.31.35 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 31 :GERRVEKQH 1dcnA 68 :GLEKISEEW Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73098 Ang CA(16) at 37.238 15.985 67.939 in (null):R-9999 (3) and OE1(49) at 38.7908 17.7744 69.2974 in (null):E-9999 (6) other bump:2.28652 Ang C(14) at 39.476 15.636 68.866 in (null):E-9999 (2) and OE1(49) at 38.7908 17.7744 69.2974 in (null):E-9999 (6) other bump:1.65399 Ang O(13) at 39.236 16.291 69.878 in (null):E-9999 (2) and OE1(49) at 38.7908 17.7744 69.2974 in (null):E-9999 (6) other bump:2.62247 Ang O(13) at 39.236 16.291 69.878 in (null):E-9999 (2) and CD(48) at 39.382 18.8682 69.4155 in (null):E-9999 (6) Number of specific fragments= 1 total=553 # 1k6dA.31.31 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 31 :GERRVEKQH 1k6dA 32 :PSRLVEALL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=554 # 1a91.31.31 read from T0136.t2k.frag # found chain 1a91 in template set T0136 31 :GERRVEKQH 1a91 32 :GGKFLEGAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=555 # 1e68A.31.35 read from T0136.t2k.frag # found chain 1e68A in template set T0136 31 :GERRVEKQH 1e68A 36 :GSGGLSLLA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51428 Ang CG(9) at 6.21985 9.63152 9.79348 in (null):E-9999 (2) and OE2(50) at 5.86498 8.17283 9.99173 in (null):E-9999 (6) other bump:1.54465 Ang CD(10) at 7.27749 8.6829 10.3531 in (null):E-9999 (2) and OE2(50) at 5.86498 8.17283 9.99173 in (null):E-9999 (6) other bump:1.48084 Ang OE2(12) at 6.88777 7.64226 10.9219 in (null):E-9999 (2) and OE2(50) at 5.86498 8.17283 9.99173 in (null):E-9999 (6) other bump:1.28639 Ang O(13) at 6.116 7.515 7.275 in (null):E-9999 (2) and OE1(49) at 5.11753 7.4146 8.07986 in (null):E-9999 (6) other bump:1.95096 Ang C(14) at 6.052 8.691 6.938 in (null):E-9999 (2) and OE1(49) at 5.11753 7.4146 8.07986 in (null):E-9999 (6) other bump:2.53212 Ang CG(9) at 6.21985 9.63152 9.79348 in (null):E-9999 (2) and CD(48) at 5.18146 7.36983 9.32645 in (null):E-9999 (6) other bump:2.25895 Ang O(13) at 6.116 7.515 7.275 in (null):E-9999 (2) and CD(48) at 5.18146 7.36983 9.32645 in (null):E-9999 (6) other bump:2.86496 Ang C(14) at 6.052 8.691 6.938 in (null):E-9999 (2) and CD(48) at 5.18146 7.36983 9.32645 in (null):E-9999 (6) other bump:2.67796 Ang CD(10) at 7.27749 8.6829 10.3531 in (null):E-9999 (2) and CD(48) at 5.18146 7.36983 9.32645 in (null):E-9999 (6) other bump:2.35187 Ang OE2(12) at 6.88777 7.64226 10.9219 in (null):E-9999 (2) and CD(48) at 5.18146 7.36983 9.32645 in (null):E-9999 (6) Number of specific fragments= 1 total=556 # 1cy5A.31.33 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 31 :GERRVEKQH 1cy5A 34 :FLTISEEEK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9753 Ang NE(20) at -0.617982 -1.79756 5.53646 in (null):R-9999 (3) and CD(48) at 0.656 0.422 7.054 in (null):E-9999 (6) Number of specific fragments= 1 total=557 # 3pviA.31.35 read from T0136.t2k.frag # adding 3pviA to template set 3pviA:# found chain 3pviA in template set T0136 31 :GERRVEKQH 3pviA 36 :GGKLLQVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=558 # 1dcnA.32.36 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 32 :ERRVEKQHS 1dcnA 69 :LEKISEEWS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73098 Ang CA(12) at 37.238 15.985 67.939 in (null):R-9999 (2) and OE1(45) at 38.7908 17.7744 69.2974 in (null):E-9999 (5) other bump:1.65399 Ang O(9) at 39.236 16.291 69.878 in (null):E-9999 (1) and OE1(45) at 38.7908 17.7744 69.2974 in (null):E-9999 (5) other bump:2.28652 Ang C(10) at 39.476 15.636 68.866 in (null):E-9999 (1) and OE1(45) at 38.7908 17.7744 69.2974 in (null):E-9999 (5) other bump:2.62247 Ang O(9) at 39.236 16.291 69.878 in (null):E-9999 (1) and CD(44) at 39.382 18.8682 69.4155 in (null):E-9999 (5) Number of specific fragments= 1 total=559 # 1k6dA.32.32 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 32 :ERRVEKQHS 1k6dA 33 :SRLVEALLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=560 # 1a91.32.32 read from T0136.t2k.frag # found chain 1a91 in template set T0136 32 :ERRVEKQHS 1a91 33 :GKFLEGAAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=561 # 1e68A.32.36 read from T0136.t2k.frag # found chain 1e68A in template set T0136 32 :ERRVEKQHS 1e68A 37 :SGGLSLLAA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51428 Ang CG(5) at 6.21985 9.63152 9.79348 in (null):E-9999 (1) and OE2(46) at 5.86498 8.17283 9.99173 in (null):E-9999 (5) other bump:1.54465 Ang CD(6) at 7.2775 8.6829 10.3531 in (null):E-9999 (1) and OE2(46) at 5.86498 8.17283 9.99173 in (null):E-9999 (5) other bump:1.48085 Ang OE2(8) at 6.88778 7.64226 10.9219 in (null):E-9999 (1) and OE2(46) at 5.86498 8.17283 9.99173 in (null):E-9999 (5) other bump:1.28639 Ang O(9) at 6.116 7.515 7.275 in (null):E-9999 (1) and OE1(45) at 5.11753 7.4146 8.07986 in (null):E-9999 (5) other bump:1.95096 Ang C(10) at 6.052 8.691 6.938 in (null):E-9999 (1) and OE1(45) at 5.11753 7.4146 8.07986 in (null):E-9999 (5) other bump:2.25895 Ang O(9) at 6.116 7.515 7.275 in (null):E-9999 (1) and CD(44) at 5.18146 7.36983 9.32645 in (null):E-9999 (5) other bump:2.86496 Ang C(10) at 6.052 8.691 6.938 in (null):E-9999 (1) and CD(44) at 5.18146 7.36983 9.32645 in (null):E-9999 (5) other bump:2.53212 Ang CG(5) at 6.21985 9.63152 9.79348 in (null):E-9999 (1) and CD(44) at 5.18146 7.36983 9.32645 in (null):E-9999 (5) other bump:2.67796 Ang CD(6) at 7.2775 8.6829 10.3531 in (null):E-9999 (1) and CD(44) at 5.18146 7.36983 9.32645 in (null):E-9999 (5) other bump:2.35188 Ang OE2(8) at 6.88778 7.64226 10.9219 in (null):E-9999 (1) and CD(44) at 5.18146 7.36983 9.32645 in (null):E-9999 (5) Number of specific fragments= 1 total=562 # 1foeA.32.33 read from T0136.t2k.frag # found chain 1foeA in template set T0136 32 :ERRVEKQHS 1foeA 1063 :MERYLKPLQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01073 Ang NE(16) at 7.34786 -73.9978 30.5449 in (null):R-9999 (2) and NZ(55) at 5.498 -73.034 32.716 in (null):K-9999 (6) other bump:2.29944 Ang CZ(17) at 7.53839 -73.4707 31.7498 in (null):R-9999 (2) and NZ(55) at 5.498 -73.034 32.716 in (null):K-9999 (6) other bump:1.94707 Ang NH1(18) at 7.12321 -74.0987 32.8432 in (null):R-9999 (2) and NZ(55) at 5.498 -73.034 32.716 in (null):K-9999 (6) other bump:2.56286 Ang NH1(18) at 7.12321 -74.0987 32.8432 in (null):R-9999 (2) and CE(54) at 4.602 -74.08 33.303 in (null):K-9999 (6) other bump:1.52419 Ang O(0) at 5.446 -81.869 32.798 in (null):G-9999 (0) and OE1(45) at 4.75928 -81.7076 34.1491 in (null):E-9999 (5) other bump:2.17749 Ang C(1) at 6.636 -81.689 33.045 in (null):G-9999 (0) and OE1(45) at 4.75928 -81.7076 34.1491 in (null):E-9999 (5) other bump:2.60729 Ang O(0) at 5.446 -81.869 32.798 in (null):G-9999 (0) and CD(44) at 4.18077 -82.396 35.016 in (null):E-9999 (5) neighbor-bump: 2.34396 Ang OE2(8) at 6.91804 -74.6732 35.1064 in (null):E-9999 (1) and NH1(18) at 7.12321 -74.0987 32.8432 in (null):R-9999 (2) Number of specific fragments= 1 total=563 # 1cy5A.32.34 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 32 :ERRVEKQHS 1cy5A 35 :LTISEEEKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9753 Ang NE(16) at -0.617982 -1.79756 5.53646 in (null):R-9999 (2) and CD(44) at 0.656 0.422 7.054 in (null):E-9999 (5) Number of specific fragments= 1 total=564 # 1dcnA.33.37 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 33 :RRVEKQHSQ 1dcnA 70 :EKISEEWSK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16842 Ang O(47) at 32.984 18.011 74.933 in (null):K-9999 (5) and OE1(79) at 31.425 16.804 75.8355 in (null):Q-9999 (9) other bump:2.28652 Ang C(1) at 39.476 15.636 68.866 in (null):G-9999 (0) and OE1(36) at 38.7908 17.7744 69.2974 in (null):E-9999 (4) other bump:2.73098 Ang CA(3) at 37.238 15.985 67.939 in (null):R-9999 (1) and OE1(36) at 38.7908 17.7744 69.2974 in (null):E-9999 (4) other bump:1.65399 Ang O(0) at 39.236 16.291 69.878 in (null):G-9999 (0) and OE1(36) at 38.7908 17.7744 69.2974 in (null):E-9999 (4) other bump:2.62247 Ang O(0) at 39.236 16.291 69.878 in (null):G-9999 (0) and CD(35) at 39.382 18.8682 69.4155 in (null):E-9999 (4) Number of specific fragments= 1 total=565 # 1a91.33.33 read from T0136.t2k.frag # found chain 1a91 in template set T0136 33 :RRVEKQHSQ 1a91 34 :KFLEGAARQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=566 # 1k6dA.33.33 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 33 :RRVEKQHSQ 1k6dA 34 :RLVEALLES Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23811 Ang CA(50) at 13.727 22.188 -23.808 in (null):Q-9999 (6) and NE2(80) at 14.5171 24.281 -23.8715 in (null):Q-9999 (9) other bump:2.22935 Ang O(56) at 14.575 23.214 -25.828 in (null):Q-9999 (6) and NE2(80) at 14.5171 24.281 -23.8715 in (null):Q-9999 (9) other bump:2.51433 Ang C(57) at 14.35 22.163 -25.216 in (null):Q-9999 (6) and NE2(80) at 14.5171 24.281 -23.8715 in (null):Q-9999 (9) other bump:2.5512 Ang CB(51) at 14.7552 22.0213 -22.7115 in (null):Q-9999 (6) and NE2(80) at 14.5171 24.281 -23.8715 in (null):Q-9999 (9) other bump:2.38517 Ang CG(52) at 16.0267 22.8309 -22.7282 in (null):Q-9999 (6) and NE2(80) at 14.5171 24.281 -23.8715 in (null):Q-9999 (9) other bump:2.01273 Ang O(47) at 11.47 22.153 -25.36 in (null):K-9999 (5) and OE1(79) at 13.2219 23.1432 -25.324 in (null):Q-9999 (9) other bump:2.60123 Ang C(48) at 11.616 21.253 -24.54 in (null):K-9999 (5) and OE1(79) at 13.2219 23.1432 -25.324 in (null):Q-9999 (9) other bump:1.8616 Ang CA(50) at 13.727 22.188 -23.808 in (null):Q-9999 (6) and OE1(79) at 13.2219 23.1432 -25.324 in (null):Q-9999 (9) other bump:1.44562 Ang O(56) at 14.575 23.214 -25.828 in (null):Q-9999 (6) and OE1(79) at 13.2219 23.1432 -25.324 in (null):Q-9999 (9) other bump:1.4983 Ang C(57) at 14.35 22.163 -25.216 in (null):Q-9999 (6) and OE1(79) at 13.2219 23.1432 -25.324 in (null):Q-9999 (9) other bump:2.3183 Ang CA(50) at 13.727 22.188 -23.808 in (null):Q-9999 (6) and CD(78) at 13.6938 24.2217 -24.9205 in (null):Q-9999 (9) other bump:1.61727 Ang O(56) at 14.575 23.214 -25.828 in (null):Q-9999 (6) and CD(78) at 13.6938 24.2217 -24.9205 in (null):Q-9999 (9) other bump:2.18085 Ang C(57) at 14.35 22.163 -25.216 in (null):Q-9999 (6) and CD(78) at 13.6938 24.2217 -24.9205 in (null):Q-9999 (9) Number of specific fragments= 1 total=567 # 1foeA.33.34 read from T0136.t2k.frag # found chain 1foeA in template set T0136 33 :RRVEKQHSQ 1foeA 1064 :ERYLKPLQK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01071 Ang NE(7) at 7.34785 -73.9978 30.5449 in (null):R-9999 (1) and NZ(46) at 5.498 -73.034 32.716 in (null):K-9999 (5) other bump:2.29942 Ang CZ(8) at 7.53837 -73.4707 31.7498 in (null):R-9999 (1) and NZ(46) at 5.498 -73.034 32.716 in (null):K-9999 (5) other bump:1.94706 Ang NH1(9) at 7.1232 -74.0987 32.8432 in (null):R-9999 (1) and NZ(46) at 5.498 -73.034 32.716 in (null):K-9999 (5) other bump:2.56285 Ang NH1(9) at 7.1232 -74.0987 32.8432 in (null):R-9999 (1) and CE(45) at 4.602 -74.08 33.303 in (null):K-9999 (5) Number of specific fragments= 1 total=568 # 1e68A.33.37 read from T0136.t2k.frag # found chain 1e68A in template set T0136 33 :RRVEKQHSQ 1e68A 38 :GGLSLLAAA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.28639 Ang O(0) at 6.116 7.515 7.275 in (null):G-9999 (0) and OE1(36) at 5.11753 7.4146 8.07986 in (null):E-9999 (4) other bump:1.95096 Ang C(1) at 6.052 8.691 6.938 in (null):G-9999 (0) and OE1(36) at 5.11753 7.4146 8.07986 in (null):E-9999 (4) other bump:2.25895 Ang O(0) at 6.116 7.515 7.275 in (null):G-9999 (0) and CD(35) at 5.18146 7.36983 9.32645 in (null):E-9999 (4) other bump:2.86496 Ang C(1) at 6.052 8.691 6.938 in (null):G-9999 (0) and CD(35) at 5.18146 7.36983 9.32645 in (null):E-9999 (4) Number of specific fragments= 1 total=569 # 1cy5A.33.35 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 33 :RRVEKQHSQ 1cy5A 36 :TISEEEKVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=570 # 1dcnA.34.38 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 34 :RVEKQHSQG 1dcnA 71 :KISEEWSKG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16841 Ang O(36) at 32.984 18.011 74.933 in (null):K-9999 (4) and OE1(68) at 31.425 16.804 75.8355 in (null):Q-9999 (8) Number of specific fragments= 1 total=571 # 1a91.34.34 read from T0136.t2k.frag # found chain 1a91 in template set T0136 34 :RVEKQHSQG 1a91 35 :FLEGAARQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=572 # 1k6dA.34.34 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 34 :RVEKQHSQG 1k6dA 35 :LVEALLESG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=573 # 1foeA.34.35 read from T0136.t2k.frag # found chain 1foeA in template set T0136 34 :RVEKQHSQG 1foeA 1065 :RYLKPLQKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=574 # 1e68A.34.38 read from T0136.t2k.frag # found chain 1e68A in template set T0136 34 :RVEKQHSQG 1e68A 39 :GLSLLAAAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=575 # 1cy5A.34.36 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 34 :RVEKQHSQG 1cy5A 37 :ISEEEKVRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=576 # 1dcnA.35.39 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 35 :VEKQHSQGK 1dcnA 72 :ISEEWSKGV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16841 Ang O(25) at 32.984 18.011 74.933 in (null):K-9999 (3) and OE1(57) at 31.425 16.804 75.8355 in (null):Q-9999 (7) Number of specific fragments= 1 total=577 # 1a91.35.35 read from T0136.t2k.frag # found chain 1a91 in template set T0136 35 :VEKQHSQGK 1a91 36 :LEGAARQPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60085 Ang CA(37) at -25.275 0.592 -5.214 in (null):H-9999 (5) and NZ(71) at -23.8656 1.78007 -7.04879 in (null):K-9999 (9) Number of specific fragments= 1 total=578 # 1k6dA.35.35 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 35 :VEKQHSQGK 1k6dA 36 :VEALLESGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=579 # 1e68A.35.39 read from T0136.t2k.frag # found chain 1e68A in template set T0136 35 :VEKQHSQGK 1e68A 40 :LSLLAAAGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=580 # 1foeA.35.36 read from T0136.t2k.frag # found chain 1foeA in template set T0136 35 :VEKQHSQGK 1foeA 1066 :YLKPLQKET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=581 # 1psrA.35.42 read from T0136.t2k.frag # adding 1psrA to template set 1psrA:Skipped atom 87, because occupancy 0.4 <= existing 0.600001 Skipped atom 89, because occupancy 0.4 <= existing 0.600001 Skipped atom 91, because occupancy 0.4 <= existing 0.600001 Skipped atom 93, because occupancy 0.4 <= existing 0.600001 Skipped atom 144, because occupancy 0.24 <= existing 0.760001 Skipped atom 146, because occupancy 0.24 <= existing 0.760001 Skipped atom 148, because occupancy 0.24 <= existing 0.760001 Skipped atom 150, because occupancy 0.24 <= existing 0.760001 Skipped atom 152, because occupancy 0.24 <= existing 0.760001 Skipped atom 179, because occupancy 0.45 <= existing 0.550001 Skipped atom 181, because occupancy 0.45 <= existing 0.550001 Skipped atom 183, because occupancy 0.45 <= existing 0.550001 Skipped atom 185, because occupancy 0.45 <= existing 0.550001 Skipped atom 187, because occupancy 0.45 <= existing 0.550001 Skipped atom 222, because occupancy 0.25 <= existing 0.750001 Skipped atom 224, because occupancy 0.25 <= existing 0.750001 Skipped atom 226, because occupancy 0.25 <= existing 0.750001 Skipped atom 294, because occupancy 0.41 <= existing 0.580001 Skipped atom 296, because occupancy 0.41 <= existing 0.580001 Skipped atom 298, because occupancy 0.41 <= existing 0.580001 Skipped atom 383, because occupancy 0.42 <= existing 0.580001 Skipped atom 385, because occupancy 0.42 <= existing 0.580001 Skipped atom 517, because occupancy 0.36 <= existing 0.640001 Skipped atom 519, because occupancy 0.36 <= existing 0.640001 Skipped atom 521, because occupancy 0.36 <= existing 0.640001 Skipped atom 523, because occupancy 0.36 <= existing 0.640001 Skipped atom 572, because occupancy 0.47 <= existing 0.530001 Skipped atom 574, because occupancy 0.47 <= existing 0.530001 Skipped atom 576, because occupancy 0.47 <= existing 0.530001 Skipped atom 578, because occupancy 0.47 <= existing 0.530001 Skipped atom 602, because occupancy 0.46 <= existing 0.540001 Skipped atom 605, because occupancy 0.46 <= existing 0.540001 Skipped atom 622, because occupancy 0.27 <= existing 0.730001 Skipped atom 624, because occupancy 0.27 <= existing 0.730001 Skipped atom 658, because occupancy 0.22 <= existing 0.780001 Skipped atom 660, because occupancy 0.22 <= existing 0.780001 Skipped atom 714, because occupancy 0.24 <= existing 0.760001 Skipped atom 716, because occupancy 0.24 <= existing 0.760001 Skipped atom 718, because occupancy 0.24 <= existing 0.760001 Skipped atom 720, because occupancy 0.24 <= existing 0.760001 # found chain 1psrA in template set T0136 35 :VEKQHSQGK 1psrA 43 :LSACDKKGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=582 # 1dcnA.36.40 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 36 :EKQHSQGKQ 1dcnA 73 :SEEWSKGVF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29117 Ang CA(68) at 40.01 16.337 81.579 in (null):Q-9999 (9) and CB(69) at 40.7847 16.7024 80.6129 in (null):Q-9999 (9) other bump:2.16841 Ang O(18) at 32.984 18.011 74.933 in (null):K-9999 (2) and OE1(50) at 31.425 16.804 75.8355 in (null):Q-9999 (6) Number of specific fragments= 1 total=583 # 1a91.36.36 read from T0136.t2k.frag # found chain 1a91 in template set T0136 36 :EKQHSQGKQ 1a91 37 :EGAARQPDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=584 # 1foeA.36.37 read from T0136.t2k.frag # found chain 1foeA in template set T0136 36 :EKQHSQGKQ 1foeA 1067 :LKPLQKETF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=585 # 1k6dA.36.36 read from T0136.t2k.frag # found chain 1k6dA in template set T0136 36 :EKQHSQGKQ 1k6dA 37 :EALLESGVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=586 # 1psrA.36.43 read from T0136.t2k.frag # found chain 1psrA in template set T0136 36 :EKQHSQGKQ 1psrA 44 :SACDKKGTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=587 # 1kxu.36.41 read from T0136.t2k.frag # adding 1kxu to template set 1kxu:# found chain 1kxu in template set T0136 36 :EKQHSQGKQ 1kxu 32 :CKAVANGKV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31146 Ang O(43) at -34.93 44.514 104.309 in (null):S-9999 (5) and CG(48) at -32.9905 45.4958 105.095 in (null):Q-9999 (6) other bump:2.30151 Ang CA(12) at -35.848 42.057 99.511 in (null):K-9999 (2) and OG(42) at -35.1275 43.397 101.238 in (null):S-9999 (5) other bump:1.64767 Ang O(18) at -33.938 43.345 100.099 in (null):K-9999 (2) and OG(42) at -35.1275 43.397 101.238 in (null):S-9999 (5) other bump:1.83665 Ang C(19) at -34.947 43.279 99.414 in (null):K-9999 (2) and OG(42) at -35.1275 43.397 101.238 in (null):S-9999 (5) other bump:2.82002 Ang CA(12) at -35.848 42.057 99.511 in (null):K-9999 (2) and CB(41) at -36.3408 43.358 101.964 in (null):S-9999 (5) other bump:2.90711 Ang C(19) at -34.947 43.279 99.414 in (null):K-9999 (2) and CB(41) at -36.3408 43.358 101.964 in (null):S-9999 (5) Number of specific fragments= 1 total=588 # 1dcnA.37.41 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 37 :KQHSQGKQT 1dcnA 74 :EEWSKGVFV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29118 Ang CA(59) at 40.01 16.337 81.579 in (null):Q-9999 (8) and CB(60) at 40.7847 16.7024 80.6129 in (null):Q-9999 (8) other bump:2.16841 Ang O(9) at 32.984 18.011 74.933 in (null):K-9999 (1) and OE1(41) at 31.425 16.804 75.8355 in (null):Q-9999 (5) Number of specific fragments= 1 total=589 # 1foeA.37.38 read from T0136.t2k.frag # found chain 1foeA in template set T0136 37 :KQHSQGKQT 1foeA 1068 :KPLQKETFL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.125 Ang CE1(26) at -4.66544 -83.7345 34.396 in (null):H-9999 (3) and OG1(71) at -6.55501 -83.3267 35.2785 in (null):T-9999 (9) other bump:2.56661 Ang NE2(27) at -4.38597 -84.6414 33.4728 in (null):H-9999 (3) and CG2(70) at -6.13781 -85.6789 35.0355 in (null):T-9999 (9) other bump:2.52143 Ang CE1(26) at -4.66544 -83.7345 34.396 in (null):H-9999 (3) and CG2(70) at -6.13781 -85.6789 35.0355 in (null):T-9999 (9) other bump:2.81867 Ang CE1(26) at -4.66544 -83.7345 34.396 in (null):H-9999 (3) and CB(69) at -6.99037 -84.617 35.723 in (null):T-9999 (9) Number of specific fragments= 1 total=590 # 1a91.37.37 read from T0136.t2k.frag # found chain 1a91 in template set T0136 37 :KQHSQGKQT 1a91 38 :GAARQPDLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=591 # 1kxu.37.42 read from T0136.t2k.frag # found chain 1kxu in template set T0136 37 :KQHSQGKQT 1kxu 33 :KAVANGKVL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.1087 Ang CG(23) at -38.9456 48.2739 98.1073 in (null):H-9999 (3) and CA(75) at -40.953 50.442 97.141 in (null):G-9999 (10) other bump:2.00873 Ang ND1(25) at -39.6597 49.4238 98.2923 in (null):H-9999 (3) and CA(75) at -40.953 50.442 97.141 in (null):G-9999 (10) other bump:1.38057 Ang CE1(26) at -39.6056 50.1415 97.1584 in (null):H-9999 (3) and CA(75) at -40.953 50.442 97.141 in (null):G-9999 (10) other bump:2.43927 Ang NE2(27) at -38.8835 49.4832 96.2762 in (null):H-9999 (3) and CA(75) at -40.953 50.442 97.141 in (null):G-9999 (10) other bump:2.39345 Ang ND1(25) at -39.6597 49.4238 98.2923 in (null):H-9999 (3) and N(74) at -40.268 51.646 97.644 in (null):G-9999 (10) other bump:1.71404 Ang CE1(26) at -39.6056 50.1415 97.1584 in (null):H-9999 (3) and N(74) at -40.268 51.646 97.644 in (null):G-9999 (10) other bump:2.18346 Ang CE1(26) at -39.6056 50.1415 97.1584 in (null):H-9999 (3) and C(73) at -39.271 52.295 97.024 in (null):T-9999 (9) other bump:2.27516 Ang CE1(26) at -39.6056 50.1415 97.1584 in (null):H-9999 (3) and O(72) at -38.776 51.898 95.974 in (null):T-9999 (9) neighbor-bump: 2.31146 Ang O(34) at -34.93 44.514 104.309 in (null):S-9999 (4) and CG(39) at -32.9905 45.4958 105.095 in (null):Q-9999 (5) other bump:2.30151 Ang CA(3) at -35.848 42.057 99.511 in (null):K-9999 (1) and OG(33) at -35.1275 43.397 101.238 in (null):S-9999 (4) other bump:1.64767 Ang O(9) at -33.938 43.345 100.099 in (null):K-9999 (1) and OG(33) at -35.1275 43.397 101.238 in (null):S-9999 (4) other bump:1.83665 Ang C(10) at -34.947 43.279 99.414 in (null):K-9999 (1) and OG(33) at -35.1275 43.397 101.238 in (null):S-9999 (4) other bump:2.82002 Ang CA(3) at -35.848 42.057 99.511 in (null):K-9999 (1) and CB(32) at -36.3408 43.358 101.964 in (null):S-9999 (4) other bump:2.90711 Ang C(10) at -34.947 43.279 99.414 in (null):K-9999 (1) and CB(32) at -36.3408 43.358 101.964 in (null):S-9999 (4) Number of specific fragments= 1 total=592 # 1bc5A.37.41 read from T0136.t2k.frag # adding 1bc5A to template set 1bc5A:# found chain 1bc5A in template set T0136 37 :KQHSQGKQT 1bc5A 57 :RLRALGLDD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73457 Ang NE2(17) at 51.7478 11.5989 24.74 in (null):Q-9999 (2) and CB(51) at 54.049 10.1233 24.8117 in (null):K-9999 (7) Number of specific fragments= 1 total=593 # 1psrA.37.44 read from T0136.t2k.frag # found chain 1psrA in template set T0136 37 :KQHSQGKQT 1psrA 45 :ACDKKGTNY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77648 Ang CG(14) at 1.31494 47.7936 46.8625 in (null):Q-9999 (2) and CG2(70) at -0.434328 47.564 44.7186 in (null):T-9999 (9) Number of specific fragments= 1 total=594 # 1dcnA.38.42 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 38 :QHSQGKQTA 1dcnA 75 :EWSKGVFVV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29118 Ang CA(50) at 40.01 16.337 81.579 in (null):Q-9999 (7) and CB(51) at 40.7847 16.7024 80.6129 in (null):Q-9999 (7) other bump:2.87896 Ang CG(5) at 35.9084 14.698 76.8285 in (null):Q-9999 (1) and CE(45) at 34.277 13.6734 78.9679 in (null):K-9999 (6) other bump:2.16841 Ang O(0) at 32.984 18.011 74.933 in (null):G-9999 (0) and OE1(32) at 31.425 16.804 75.8355 in (null):Q-9999 (4) Number of specific fragments= 1 total=595 # 1foeA.38.39 read from T0136.t2k.frag # found chain 1foeA in template set T0136 38 :QHSQGKQTA 1foeA 1069 :PLQKETFLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=596 # 1bc5A.38.42 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 38 :QHSQGKQTA 1bc5A 58 :LRALGLDDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=597 # 1a91.38.38 read from T0136.t2k.frag # found chain 1a91 in template set T0136 38 :QHSQGKQTA 1a91 39 :AARQPDLIP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05571 Ang CD(6) at -19.8093 4.00021 -2.39798 in (null):Q-9999 (1) and CA(71) at -19.849 6.956 -3.172 in (null):G-9999 (10) other bump:2.66682 Ang OE1(7) at -19.6449 4.32876 -3.58178 in (null):Q-9999 (1) and CA(71) at -19.849 6.956 -3.172 in (null):G-9999 (10) other bump:2.92228 Ang CD(6) at -19.8093 4.00021 -2.39798 in (null):Q-9999 (1) and C(69) at -20.998 6.333 -1.1 in (null):A-9999 (9) other bump:2.91685 Ang CG(5) at -21.1543 3.52601 -1.87742 in (null):Q-9999 (1) and C(69) at -20.998 6.333 -1.1 in (null):A-9999 (9) other bump:2.04715 Ang CD(6) at -19.8093 4.00021 -2.39798 in (null):Q-9999 (1) and O(68) at -20.297 5.34 -0.929 in (null):A-9999 (9) other bump:2.21922 Ang CG(5) at -21.1543 3.52601 -1.87742 in (null):Q-9999 (1) and O(68) at -20.297 5.34 -0.929 in (null):A-9999 (9) Number of specific fragments= 1 total=598 # 1kxu.38.43 read from T0136.t2k.frag # found chain 1kxu in template set T0136 38 :QHSQGKQTA 1kxu 34 :AVANGKVLP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30457 Ang CE1(17) at -39.6056 50.1415 97.1584 in (null):H-9999 (2) and N(70) at -40.134 50.053 94.917 in (null):G-9999 (10) other bump:1.93284 Ang NE2(18) at -38.8835 49.4832 96.2762 in (null):H-9999 (2) and N(70) at -40.134 50.053 94.917 in (null):G-9999 (10) other bump:2.18995 Ang CE1(17) at -39.6056 50.1415 97.1584 in (null):H-9999 (2) and C(69) at -41.123 50.557 95.635 in (null):A-9999 (9) other bump:2.56507 Ang NE2(18) at -38.8835 49.4832 96.2762 in (null):H-9999 (2) and C(69) at -41.123 50.557 95.635 in (null):A-9999 (9) other bump:2.80573 Ang CE1(17) at -39.6056 50.1415 97.1584 in (null):H-9999 (2) and CB(67) at -42.299 50.498 97.859 in (null):A-9999 (9) other bump:2.8823 Ang ND1(16) at -39.6597 49.4238 98.2923 in (null):H-9999 (2) and CB(67) at -42.299 50.498 97.859 in (null):A-9999 (9) other bump:1.38057 Ang CE1(17) at -39.6056 50.1415 97.1584 in (null):H-9999 (2) and CA(66) at -40.953 50.442 97.141 in (null):A-9999 (9) other bump:2.43927 Ang NE2(18) at -38.8835 49.4832 96.2762 in (null):H-9999 (2) and CA(66) at -40.953 50.442 97.141 in (null):A-9999 (9) other bump:3.1087 Ang CG(14) at -38.9456 48.2739 98.1073 in (null):H-9999 (2) and CA(66) at -40.953 50.442 97.141 in (null):A-9999 (9) other bump:2.00873 Ang ND1(16) at -39.6597 49.4238 98.2923 in (null):H-9999 (2) and CA(66) at -40.953 50.442 97.141 in (null):A-9999 (9) other bump:1.71404 Ang CE1(17) at -39.6056 50.1415 97.1584 in (null):H-9999 (2) and N(65) at -40.268 51.646 97.644 in (null):A-9999 (9) other bump:2.39345 Ang ND1(16) at -39.6597 49.4238 98.2923 in (null):H-9999 (2) and N(65) at -40.268 51.646 97.644 in (null):A-9999 (9) other bump:2.18346 Ang CE1(17) at -39.6056 50.1415 97.1584 in (null):H-9999 (2) and C(64) at -39.271 52.295 97.024 in (null):T-9999 (8) other bump:2.27516 Ang CE1(17) at -39.6056 50.1415 97.1584 in (null):H-9999 (2) and O(63) at -38.776 51.898 95.974 in (null):T-9999 (8) neighbor-bump: 2.31146 Ang O(25) at -34.93 44.514 104.309 in (null):S-9999 (3) and CG(30) at -32.9905 45.4958 105.095 in (null):Q-9999 (4) other bump:1.64768 Ang O(0) at -33.938 43.345 100.099 in (null):G-9999 (0) and OG(24) at -35.1275 43.3969 101.238 in (null):S-9999 (3) other bump:1.83665 Ang C(1) at -34.947 43.279 99.414 in (null):G-9999 (0) and OG(24) at -35.1275 43.3969 101.238 in (null):S-9999 (3) other bump:2.90712 Ang C(1) at -34.947 43.279 99.414 in (null):G-9999 (0) and CB(23) at -36.3408 43.358 101.964 in (null):S-9999 (3) Number of specific fragments= 1 total=599 # 1psrA.38.45 read from T0136.t2k.frag # found chain 1psrA in template set T0136 38 :QHSQGKQTA 1psrA 46 :CDKKGTNYL Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81283 Ang CG(5) at 0.072126 49.4578 46.3938 in (null):Q-9999 (1) and CG2(61) at 0.325207 47.7015 44.2113 in (null):T-9999 (8) other bump:2.98154 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and CG2(61) at 0.325207 47.7015 44.2113 in (null):T-9999 (8) other bump:2.42613 Ang NE2(8) at -1.31 49.4829 44.4089 in (null):Q-9999 (1) and CG2(61) at 0.325207 47.7015 44.2113 in (null):T-9999 (8) other bump:2.62818 Ang NE2(8) at -1.31 49.4829 44.4089 in (null):Q-9999 (1) and CB(60) at -0.680285 47.2482 43.1772 in (null):T-9999 (8) other bump:2.16597 Ang NE2(8) at -1.31 49.4829 44.4089 in (null):Q-9999 (1) and CA(59) at -1.332 48.425 42.519 in (null):T-9999 (8) other bump:2.52592 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and N(58) at -2.217 49.194 43.448 in (null):T-9999 (8) other bump:1.35259 Ang NE2(8) at -1.31 49.4829 44.4089 in (null):Q-9999 (1) and N(58) at -2.217 49.194 43.448 in (null):T-9999 (8) other bump:3.18546 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and C(57) at -2.823 50.256 42.998 in (null):Q-9999 (7) other bump:2.20854 Ang NE2(8) at -1.31 49.4829 44.4089 in (null):Q-9999 (1) and C(57) at -2.823 50.256 42.998 in (null):Q-9999 (7) other bump:3.27057 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and CA(50) at -3.713 51.035 44.003 in (null):Q-9999 (7) other bump:2.92269 Ang OE1(7) at -2.2168 50.1662 46.3586 in (null):Q-9999 (1) and CA(50) at -3.713 51.035 44.003 in (null):Q-9999 (7) other bump:2.88935 Ang NE2(8) at -1.31 49.4829 44.4089 in (null):Q-9999 (1) and CA(50) at -3.713 51.035 44.003 in (null):Q-9999 (7) other bump:3.02837 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and N(49) at -2.89 52.033 44.625 in (null):Q-9999 (7) other bump:2.3391 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and C(48) at -2.302 51.821 45.813 in (null):K-9999 (6) other bump:1.7445 Ang OE1(7) at -2.2168 50.1662 46.3586 in (null):Q-9999 (1) and C(48) at -2.302 51.821 45.813 in (null):K-9999 (6) other bump:1.82983 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and O(47) at -2.488 50.818 46.522 in (null):K-9999 (6) other bump:0.724657 Ang OE1(7) at -2.2168 50.1662 46.3586 in (null):Q-9999 (1) and O(47) at -2.488 50.818 46.522 in (null):K-9999 (6) other bump:2.94082 Ang CG(5) at 0.072126 49.4578 46.3938 in (null):Q-9999 (1) and CG(43) at 0.43834 51.8865 44.7766 in (null):K-9999 (6) other bump:2.89611 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and CG(43) at 0.43834 51.8865 44.7766 in (null):K-9999 (6) other bump:2.99067 Ang CG(5) at 0.072126 49.4578 46.3938 in (null):Q-9999 (1) and CB(42) at 0.077554 52.4401 46.1706 in (null):K-9999 (6) other bump:3.05008 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and CB(42) at 0.077554 52.4401 46.1706 in (null):K-9999 (6) other bump:3.2305 Ang CD(6) at -1.25254 49.7326 45.7196 in (null):Q-9999 (1) and CA(41) at -1.366 52.913 46.275 in (null):K-9999 (6) other bump:2.87677 Ang OE1(7) at -2.2168 50.1662 46.3586 in (null):Q-9999 (1) and CA(41) at -1.366 52.913 46.275 in (null):K-9999 (6) Number of specific fragments= 1 total=600 # 1dcnA.39.43 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 39 :HSQGKQTAR 1dcnA 76 :WSKGVFVVK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35978 Ang CA(62) at 48.394 14.204 86.576 in (null):R-9999 (9) and CB(63) at 49.2206 13.2074 86.9911 in (null):R-9999 (9) self-bump: 1.29118 Ang CA(41) at 40.01 16.337 81.579 in (null):Q-9999 (6) and CB(42) at 40.7847 16.7024 80.6129 in (null):Q-9999 (6) Number of specific fragments= 1 total=601 # 1foeA.39.40 read from T0136.t2k.frag # found chain 1foeA in template set T0136 39 :HSQGKQTAR 1foeA 1070 :LQKETFLTQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12501 Ang CE1(8) at -4.66544 -83.7345 34.396 in (null):H-9999 (1) and OG1(53) at -6.55501 -83.3267 35.2785 in (null):T-9999 (7) other bump:2.56661 Ang NE2(9) at -4.38596 -84.6414 33.4728 in (null):H-9999 (1) and CG2(52) at -6.13781 -85.6789 35.0355 in (null):T-9999 (7) other bump:2.52143 Ang CE1(8) at -4.66544 -83.7345 34.396 in (null):H-9999 (1) and CG2(52) at -6.13781 -85.6789 35.0355 in (null):T-9999 (7) other bump:2.81868 Ang CE1(8) at -4.66544 -83.7345 34.396 in (null):H-9999 (1) and CB(51) at -6.99037 -84.617 35.723 in (null):T-9999 (7) Number of specific fragments= 1 total=602 # 1bc5A.39.43 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 39 :HSQGKQTAR 1bc5A 59 :RALGLDDFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=603 # 1kxu.39.44 read from T0136.t2k.frag # found chain 1kxu in template set T0136 39 :HSQGKQTAR 1kxu 35 :VANGKVLPN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31146 Ang O(16) at -34.93 44.514 104.309 in (null):S-9999 (2) and CG(21) at -32.9905 45.4958 105.095 in (null):Q-9999 (3) Number of specific fragments= 1 total=604 # 1a91.39.39 read from T0136.t2k.frag # found chain 1a91 in template set T0136 39 :HSQGKQTAR 1a91 40 :ARQPDLIPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=605 # 1psrA.39.46 read from T0136.t2k.frag # found chain 1psrA in template set T0136 39 :HSQGKQTAR 1psrA 47 :DKKGTNYLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=606 # 1foeA.40.41 read from T0136.t2k.frag # found chain 1foeA in template set T0136 40 :SQGKQTARE 1foeA 1071 :QKETFLTQD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=607 # 1dcnA.40.44 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 40 :SQGKQTARE 1dcnA 77 :SKGVFVVKG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29118 Ang CA(31) at 40.01 16.337 81.579 in (null):Q-9999 (5) and CB(32) at 40.7847 16.7024 80.6129 in (null):Q-9999 (5) Number of specific fragments= 1 total=608 # 1bc5A.40.44 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 40 :SQGKQTARE 1bc5A 60 :ALGLDDFGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=609 # 1a91.40.40 read from T0136.t2k.frag # found chain 1a91 in template set T0136 40 :SQGKQTARE 1a91 41 :RQPDLIPLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=610 # 1fgjA.40.15 read from T0136.t2k.frag # adding 1fgjA to template set 1fgjA:# found chain 1fgjA in template set T0136 40 :SQGKQTARE 1fgjA 16 :DRGKATPKE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.844 Ang CD(34) at 14.3383 -2.44926 46.4135 in (null):Q-9999 (5) and N(71) at 14.495 0.375 46.118 in (null):G-9999 (10) other bump:2.05529 Ang NE2(36) at 13.5708 -1.45298 45.9489 in (null):Q-9999 (5) and N(71) at 14.495 0.375 46.118 in (null):G-9999 (10) other bump:3.08135 Ang CD(34) at 14.3383 -2.44926 46.4135 in (null):Q-9999 (5) and C(70) at 13.287 0.435 46.679 in (null):E-9999 (9) other bump:2.04403 Ang NE2(36) at 13.5708 -1.45298 45.9489 in (null):Q-9999 (5) and C(70) at 13.287 0.435 46.679 in (null):E-9999 (9) other bump:2.75011 Ang CD(34) at 14.3383 -2.44926 46.4135 in (null):Q-9999 (5) and CB(64) at 11.993 -1.363 45.474 in (null):E-9999 (9) other bump:1.6502 Ang NE2(36) at 13.5708 -1.45298 45.9489 in (null):Q-9999 (5) and CB(64) at 11.993 -1.363 45.474 in (null):E-9999 (9) other bump:2.17403 Ang NE2(36) at 13.5708 -1.45298 45.9489 in (null):Q-9999 (5) and CA(63) at 12.098 0.136 45.769 in (null):E-9999 (9) other bump:2.82674 Ang OG(5) at 14.9312 -9.64325 46.1735 in (null):S-9999 (1) and CE(26) at 12.218 -9.727 45.385 in (null):K-9999 (4) Number of specific fragments= 1 total=611 # 1kxu.40.45 read from T0136.t2k.frag # found chain 1kxu in template set T0136 40 :SQGKQTARE 1kxu 36 :ANGKVLPND Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31146 Ang O(6) at -34.93 44.514 104.309 in (null):S-9999 (1) and CG(11) at -32.9905 45.4958 105.095 in (null):Q-9999 (2) Number of specific fragments= 1 total=612 # 1foeA.41.42 read from T0136.t2k.frag # found chain 1foeA in template set T0136 41 :QGKQTARER 1foeA 1072 :KETFLTQDE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12321 Ang O(31) at -10.387 -86.031 33.717 in (null):Q-9999 (4) and NH1(72) at -9.57253 -87.1824 35.3041 in (null):R-9999 (9) other bump:2.83375 Ang C(32) at -9.561 -85.27 33.213 in (null):Q-9999 (4) and NH1(72) at -9.57253 -87.1824 35.3041 in (null):R-9999 (9) other bump:2.58485 Ang CA(34) at -8.52 -84.822 35.353 in (null):T-9999 (5) and NH1(72) at -9.57253 -87.1824 35.3041 in (null):R-9999 (9) other bump:3.20053 Ang CA(34) at -8.52 -84.822 35.353 in (null):T-9999 (5) and CZ(71) at -8.64392 -87.9855 35.8223 in (null):R-9999 (9) Number of specific fragments= 1 total=613 # 1bc5A.41.45 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 41 :QGKQTARER 1bc5A 61 :LGLDDFGRY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91176 Ang OG1(37) at 49.2317 6.86679 26.9753 in (null):T-9999 (5) and CD(60) at 51.6803 5.69495 28.0286 in (null):E-9999 (8) other bump:2.30541 Ang OE1(7) at 56.1229 14.4045 26.7403 in (null):Q-9999 (1) and CE(20) at 55.9113 12.2147 27.4297 in (null):K-9999 (3) Number of specific fragments= 1 total=614 # 1a91.41.41 read from T0136.t2k.frag # found chain 1a91 in template set T0136 41 :QGKQTARER 1a91 42 :QPDLIPLLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=615 # 1dcnA.41.45 read from T0136.t2k.frag # found chain 1dcnA in template set T0136 41 :QGKQTARER 1dcnA 78 :KGVFVVKGS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77819 Ang NH1(52) at 51.2293 14.2691 81.4695 in (null):R-9999 (7) and N(76) at 52.674 16.202 82.846 in (null):G-9999 (10) neighbor-bump: 2.16828 Ang O(54) at 48.661 16.583 86.869 in (null):R-9999 (7) and OE2(62) at 48.4032 18.1874 88.3046 in (null):E-9999 (8) self-bump: 1.29118 Ang CA(25) at 40.01 16.337 81.579 in (null):Q-9999 (4) and CB(26) at 40.7847 16.7024 80.6129 in (null):Q-9999 (4) Number of specific fragments= 1 total=616 # 1avsA.41.48 read from T0136.t2k.frag # adding 1avsA to template set 1avsA:# found chain 1avsA in template set T0136 41 :QGKQTARER 1avsA 49 :LGQNPTKEE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60897 Ang CA(34) at 18.642 -0.88 10.945 in (null):T-9999 (5) and NH1(72) at 20.0002 0.924326 12.2514 in (null):R-9999 (9) self-bump: 2.18841 Ang CB(58) at 20.357 -5.829 16.946 in (null):E-9999 (8) and C(64) at 18.249 -5.253 17.063 in (null):E-9999 (8) Number of specific fragments= 1 total=617 # 1cy5A.41.43 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 41 :QGKQTARER 1cy5A 44 :RNEPTQQQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=618 # 1foeA.42.43 read from T0136.t2k.frag # found chain 1foeA in template set T0136 42 :GKQTARERL 1foeA 1073 :ETFLTQDEL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72844 Ang OG1(28) at -6.55501 -83.3267 35.2785 in (null):T-9999 (4) and CD2(72) at -4.224 -82.01 35.805 in (null):L-9999 (9) other bump:2.12321 Ang O(22) at -10.387 -86.031 33.717 in (null):Q-9999 (3) and NH1(63) at -9.57253 -87.1824 35.3041 in (null):R-9999 (8) other bump:2.83375 Ang C(23) at -9.561 -85.27 33.213 in (null):Q-9999 (3) and NH1(63) at -9.57253 -87.1824 35.3041 in (null):R-9999 (8) other bump:2.58486 Ang CA(25) at -8.52 -84.822 35.353 in (null):T-9999 (4) and NH1(63) at -9.57253 -87.1824 35.3041 in (null):R-9999 (8) other bump:3.20053 Ang CA(25) at -8.52 -84.822 35.353 in (null):T-9999 (4) and CZ(62) at -8.64392 -87.9855 35.8223 in (null):R-9999 (8) Number of specific fragments= 1 total=619 # 1bc5A.42.46 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 42 :GKQTARERL 1bc5A 62 :GLDDFGRYL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91176 Ang OG1(28) at 49.2317 6.86679 26.9753 in (null):T-9999 (4) and CD(51) at 51.6803 5.69495 28.0286 in (null):E-9999 (7) Number of specific fragments= 1 total=620 # 1avsA.42.49 read from T0136.t2k.frag # found chain 1avsA in template set T0136 42 :GKQTARERL 1avsA 50 :GQNPTKEEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60896 Ang CA(25) at 18.642 -0.88 10.945 in (null):T-9999 (4) and NH1(63) at 20.0001 0.924323 12.2513 in (null):R-9999 (8) self-bump: 2.18841 Ang CB(49) at 20.357 -5.829 16.946 in (null):E-9999 (7) and C(55) at 18.249 -5.253 17.063 in (null):E-9999 (7) Number of specific fragments= 1 total=621 # 1a91.42.42 read from T0136.t2k.frag # found chain 1a91 in template set T0136 42 :GKQTARERL 1a91 43 :PDLIPLLRT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=622 # 1zac.42.49 read from T0136.t2k.frag # adding 1zac to template set 1zac:# found chain 1zac in template set T0136 42 :GKQTARERL 1zac 50 :GQNPTKEEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=623 # 1cy5A.42.44 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 42 :GKQTARERL 1cy5A 45 :NEPTQQQRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=624 # 1foeA.43.44 read from T0136.t2k.frag # found chain 1foeA in template set T0136 43 :KQTARERLN 1foeA 1074 :TFLTQDELD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72844 Ang OG1(24) at -6.55501 -83.3267 35.2785 in (null):T-9999 (3) and CD2(68) at -4.224 -82.01 35.805 in (null):L-9999 (8) other bump:2.12321 Ang O(18) at -10.387 -86.031 33.717 in (null):Q-9999 (2) and NH1(59) at -9.57253 -87.1824 35.3041 in (null):R-9999 (7) other bump:2.83375 Ang C(19) at -9.561 -85.27 33.213 in (null):Q-9999 (2) and NH1(59) at -9.57253 -87.1824 35.3041 in (null):R-9999 (7) other bump:2.58486 Ang CA(21) at -8.52 -84.822 35.353 in (null):T-9999 (3) and NH1(59) at -9.57253 -87.1824 35.3041 in (null):R-9999 (7) other bump:3.20053 Ang CA(21) at -8.52 -84.822 35.353 in (null):T-9999 (3) and CZ(58) at -8.64392 -87.9855 35.8223 in (null):R-9999 (7) Number of specific fragments= 1 total=625 # 1bc5A.43.47 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 43 :KQTARERLN 1bc5A 63 :LDDFGRYLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91176 Ang OG1(24) at 49.2317 6.86679 26.9753 in (null):T-9999 (3) and CD(47) at 51.6803 5.69495 28.0286 in (null):E-9999 (6) Number of specific fragments= 1 total=626 # 1avsA.43.50 read from T0136.t2k.frag # found chain 1avsA in template set T0136 43 :KQTARERLN 1avsA 51 :QNPTKEELD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60896 Ang CA(21) at 18.642 -0.88 10.945 in (null):T-9999 (3) and NH1(59) at 20.0001 0.924323 12.2513 in (null):R-9999 (7) self-bump: 2.18841 Ang CB(45) at 20.357 -5.829 16.946 in (null):E-9999 (6) and C(51) at 18.249 -5.253 17.063 in (null):E-9999 (6) Number of specific fragments= 1 total=627 # 1zac.43.50 read from T0136.t2k.frag # found chain 1zac in template set T0136 43 :KQTARERLN 1zac 51 :QNPTKEELD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=628 # 1cy5A.43.45 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 43 :KQTARERLN 1cy5A 46 :EPTQQQRAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=629 # 1a4pA.43.46 read from T0136.t2k.frag # adding 1a4pA to template set 1a4pA:Skipped atom 47, because occupancy 0.5 <= existing 0.500001 Skipped atom 49, because occupancy 0.5 <= existing 0.500001 Skipped atom 51, because occupancy 0.5 <= existing 0.500001 Skipped atom 53, because occupancy 0.5 <= existing 0.500001 Skipped atom 231, because occupancy 0.5 <= existing 0.500001 Skipped atom 233, because occupancy 0.5 <= existing 0.500001 Skipped atom 235, because occupancy 0.5 <= existing 0.500001 Skipped atom 237, because occupancy 0.5 <= existing 0.500001 Skipped atom 685, because occupancy 0.3 <= existing 0.300001 Skipped atom 687, because occupancy 0.3 <= existing 0.300001 Skipped atom 689, because occupancy 0.3 <= existing 0.300001 Skipped atom 691, because occupancy 0.3 <= existing 0.300001 Skipped atom 693, because occupancy 0.3 <= existing 0.300001 Skipped atom 695, because occupancy 0.3 <= existing 0.300001 Skipped atom 697, because occupancy 0.3 <= existing 0.300001 # found chain 1a4pA in template set T0136 43 :KQTARERLN 1a4pA 47 :DPLAVDKIM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63611 Ang CA(21) at 71.324 79.868 61.286 in (null):T-9999 (3) and OE1(48) at 71.1317 77.9375 63.0707 in (null):E-9999 (6) Number of specific fragments= 1 total=630 # 1foeA.44.45 read from T0136.t2k.frag # found chain 1foeA in template set T0136 44 :QTARERLNN 1foeA 1075 :FLTQDELDV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72844 Ang OG1(15) at -6.55501 -83.3267 35.2785 in (null):T-9999 (2) and CD2(59) at -4.224 -82.01 35.805 in (null):L-9999 (7) other bump:2.12321 Ang O(9) at -10.387 -86.031 33.717 in (null):Q-9999 (1) and NH1(50) at -9.57253 -87.1824 35.3041 in (null):R-9999 (6) other bump:2.83375 Ang C(10) at -9.561 -85.27 33.213 in (null):Q-9999 (1) and NH1(50) at -9.57253 -87.1824 35.3041 in (null):R-9999 (6) other bump:2.58486 Ang CA(12) at -8.52 -84.822 35.353 in (null):T-9999 (2) and NH1(50) at -9.57253 -87.1824 35.3041 in (null):R-9999 (6) other bump:3.20053 Ang CA(12) at -8.52 -84.822 35.353 in (null):T-9999 (2) and CZ(49) at -8.64392 -87.9855 35.8223 in (null):R-9999 (6) Number of specific fragments= 1 total=631 # 1bc5A.44.48 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 44 :QTARERLNN 1bc5A 64 :DDFGRYLSM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91176 Ang OG1(15) at 49.2317 6.86679 26.9753 in (null):T-9999 (2) and CD(38) at 51.6803 5.69495 28.0286 in (null):E-9999 (5) Number of specific fragments= 1 total=632 # 1avsA.44.51 read from T0136.t2k.frag # found chain 1avsA in template set T0136 44 :QTARERLNN 1avsA 52 :NPTKEELDA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60896 Ang CA(12) at 18.642 -0.88 10.945 in (null):T-9999 (2) and NH1(50) at 20.0001 0.924323 12.2513 in (null):R-9999 (6) self-bump: 2.18841 Ang CB(36) at 20.357 -5.829 16.946 in (null):E-9999 (5) and C(42) at 18.249 -5.253 17.063 in (null):E-9999 (5) Number of specific fragments= 1 total=633 # 1zac.44.51 read from T0136.t2k.frag # found chain 1zac in template set T0136 44 :QTARERLNN 1zac 52 :NPTKEELDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=634 # 1cy5A.44.46 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 44 :QTARERLNN 1cy5A 47 :PTQQQRAAM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=635 # 1a4pA.44.47 read from T0136.t2k.frag # found chain 1a4pA in template set T0136 44 :QTARERLNN 1a4pA 48 :PLAVDKIMK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63611 Ang CA(12) at 71.324 79.868 61.286 in (null):T-9999 (2) and OE1(39) at 71.1317 77.9375 63.0707 in (null):E-9999 (5) Number of specific fragments= 1 total=636 # 1foeA.45.46 read from T0136.t2k.frag # found chain 1foeA in template set T0136 45 :TARERLNNL 1foeA 1076 :LTQDELDVL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72844 Ang OG1(6) at -6.555 -83.3267 35.2785 in (null):T-9999 (1) and CD2(50) at -4.224 -82.01 35.805 in (null):L-9999 (6) other bump:2.12321 Ang O(0) at -10.387 -86.031 33.717 in (null):G-9999 (0) and NH1(41) at -9.57253 -87.1824 35.3041 in (null):R-9999 (5) other bump:2.83375 Ang C(1) at -9.561 -85.27 33.213 in (null):G-9999 (0) and NH1(41) at -9.57253 -87.1824 35.3041 in (null):R-9999 (5) other bump:2.58486 Ang CA(3) at -8.52 -84.822 35.353 in (null):T-9999 (1) and NH1(41) at -9.57253 -87.1824 35.3041 in (null):R-9999 (5) other bump:3.20053 Ang CA(3) at -8.52 -84.822 35.353 in (null):T-9999 (1) and CZ(40) at -8.64392 -87.9855 35.8223 in (null):R-9999 (5) Number of specific fragments= 1 total=637 # 1bc5A.45.49 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 45 :TARERLNNL 1bc5A 65 :DFGRYLSML Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37468 Ang CG2(5) at 49.8541 6.78864 26.9517 in (null):T-9999 (1) and OE1(30) at 52.1298 6.11028 26.9406 in (null):E-9999 (4) other bump:2.38555 Ang CG2(5) at 49.8541 6.78864 26.9517 in (null):T-9999 (1) and CD(29) at 51.6803 5.69495 28.0286 in (null):E-9999 (4) other bump:2.40787 Ang CG2(5) at 49.8541 6.78864 26.9517 in (null):T-9999 (1) and CG(28) at 51.0299 6.58166 29.0427 in (null):E-9999 (4) other bump:2.7295 Ang CG2(5) at 49.8541 6.78864 26.9517 in (null):T-9999 (1) and CB(27) at 51.3782 8.04483 28.8356 in (null):E-9999 (4) Number of specific fragments= 1 total=638 # 1dlc.45.47 read from T0136.t2k.frag # adding 1dlc to template set 1dlc:Skipped atom 3118, because occupancy 0.5 <= existing 0.500001 Skipped atom 3120, because occupancy 0.5 <= existing 0.500001 Skipped atom 3122, because occupancy 0.5 <= existing 0.500001 Skipped atom 3124, because occupancy 0.5 <= existing 0.500001 Skipped atom 3126, because occupancy 0.5 <= existing 0.500001 Skipped atom 3128, because occupancy 0.5 <= existing 0.500001 Skipped atom 3130, because occupancy 0.5 <= existing 0.500001 # found chain 1dlc in template set T0136 45 :TARERLNNL 1dlc 108 :AFMEQVEAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=639 # 1bh9B.45.48 read from T0136.t2k.frag # adding 1bh9B to template set 1bh9B:# found chain 1bh9B in template set T0136 45 :TARERLNNL 1bh9B 161 :FVGEVVEEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=640 # 1cy5A.45.47 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 45 :TARERLNNL 1cy5A 48 :TQQQRAAML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=641 # 1zac.45.52 read from T0136.t2k.frag # found chain 1zac in template set T0136 45 :TARERLNNL 1zac 53 :PTKEELDAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=642 # 1foeA.46.47 read from T0136.t2k.frag # found chain 1foeA in template set T0136 46 :ARERLNNLL 1foeA 1077 :TQDELDVLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=643 # 1dlc.46.48 read from T0136.t2k.frag # found chain 1dlc in template set T0136 46 :ARERLNNLL 1dlc 109 :FMEQVEALM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=644 # 1bc5A.46.50 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 46 :ARERLNNLL 1bc5A 66 :FGRYLSMLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=645 # 1cy5A.46.48 read from T0136.t2k.frag # found chain 1cy5A in training set T0136 46 :ARERLNNLL 1cy5A 49 :QQQRAAMLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=646 # 1a4pA.46.49 read from T0136.t2k.frag # found chain 1a4pA in template set T0136 46 :ARERLNNLL 1a4pA 50 :AVDKIMKDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=647 # 1bh9B.46.49 read from T0136.t2k.frag # found chain 1bh9B in template set T0136 46 :ARERLNNLL 1bh9B 162 :VGEVVEEAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=648 # 1foeA.47.48 read from T0136.t2k.frag # found chain 1foeA in template set T0136 47 :RERLNNLLD 1foeA 1078 :QDELDVLFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69677 Ang C(72) at 2.711 -81.928 41.424 in (null):L-9999 (8) and CB(75) at 2.9626 -83.3419 43.7066 in (null):D-9999 (9) Number of specific fragments= 1 total=649 # 1dlc.47.49 read from T0136.t2k.frag # found chain 1dlc in template set T0136 47 :RERLNNLLD 1dlc 110 :MEQVEALMD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=650 # 1bc5A.47.51 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 47 :RERLNNLLD 1bc5A 67 :GRYLSMLEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=651 # 1a4pA.47.50 read from T0136.t2k.frag # found chain 1a4pA in template set T0136 47 :RERLNNLLD 1a4pA 51 :VDKIMKDLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=652 # 1b54.47.52 read from T0136.t2k.frag # adding 1b54 to template set 1b54:# found chain 1b54 in template set T0136 47 :RERLNNLLD 1b54 53 :ASDIQILYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=653 # 1bh9B.47.50 read from T0136.t2k.frag # found chain 1bh9B in template set T0136 47 :RERLNNLLD 1bh9B 163 :GEVVEEALD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=654 # 1foeA.48.49 read from T0136.t2k.frag # found chain 1foeA in template set T0136 48 :ERLNNLLDP 1foeA 1079 :DELDVLFGN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.072 Ang OD1(66) at 3.50578 -82.7751 46.2207 in (null):D-9999 (8) and CD(74) at 3.481 -80.8306 45.5053 in (null):P-9999 (9) neighbor-bump: 2.06206 Ang CA(63) at 2.635 -81.708 43.842 in (null):D-9999 (8) and CD(74) at 3.481 -80.8306 45.5053 in (null):P-9999 (9) neighbor-bump: 1.58129 Ang C(69) at 3.981 -81.034 44.019 in (null):D-9999 (8) and CD(74) at 3.481 -80.8306 45.5053 in (null):P-9999 (9) self-bump: 1.36266 Ang N(70) at 3.984 -79.877 44.672 in (null):P-9999 (9) and CD(74) at 3.481 -80.8306 45.5053 in (null):P-9999 (9) neighbor-bump: 2.8697 Ang CG(65) at 3.34819 -83.6534 45.3486 in (null):D-9999 (8) and CG(73) at 4.77602 -81.2855 46.1162 in (null):P-9999 (9) neighbor-bump: 1.96044 Ang OD1(66) at 3.50578 -82.7751 46.2207 in (null):D-9999 (8) and CG(73) at 4.77602 -81.2855 46.1162 in (null):P-9999 (9) neighbor-bump: 3.15191 Ang CA(63) at 2.635 -81.708 43.842 in (null):D-9999 (8) and CG(73) at 4.77602 -81.2855 46.1162 in (null):P-9999 (9) neighbor-bump: 2.25689 Ang C(69) at 3.981 -81.034 44.019 in (null):D-9999 (8) and CG(73) at 4.77602 -81.2855 46.1162 in (null):P-9999 (9) self-bump: 2.16721 Ang N(70) at 3.984 -79.877 44.672 in (null):P-9999 (9) and CG(73) at 4.77602 -81.2855 46.1162 in (null):P-9999 (9) Number of specific fragments= 1 total=655 # 1dlc.48.50 read from T0136.t2k.frag # found chain 1dlc in template set T0136 48 :ERLNNLLDP 1dlc 111 :EQVEALMDQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=656 # 1fc6A.48.54 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 48 :ERLNNLLDP 1fc6A 131 :KMLAVLDDP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=657 # 1bc5A.48.52 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 48 :ERLNNLLDP 1bc5A 68 :RYLSMLEAN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.13066 Ang CA(63) at 53.592 13.842 38.572 in (null):D-9999 (8) and CD(74) at 55.6315 14.0095 37.9785 in (null):P-9999 (9) neighbor-bump: 2.32051 Ang CB(64) at 53.9758 12.4126 38.2842 in (null):D-9999 (8) and CD(74) at 55.6315 14.0095 37.9785 in (null):P-9999 (9) neighbor-bump: 1.75921 Ang O(68) at 55.604 14.463 39.678 in (null):D-9999 (8) and CD(74) at 55.6315 14.0095 37.9785 in (null):P-9999 (9) neighbor-bump: 1.22813 Ang C(69) at 54.874 14.638 38.713 in (null):D-9999 (8) and CD(74) at 55.6315 14.0095 37.9785 in (null):P-9999 (9) neighbor-bump: 2.19102 Ang O(68) at 55.604 14.463 39.678 in (null):D-9999 (8) and CG(73) at 57.135 14.1225 38.1481 in (null):P-9999 (9) neighbor-bump: 2.38686 Ang C(69) at 54.874 14.638 38.713 in (null):D-9999 (8) and CG(73) at 57.135 14.1225 38.1481 in (null):P-9999 (9) self-bump: 1.3983 Ang CA(71) at 56.42 16.254 37.787 in (null):P-9999 (9) and CB(72) at 57.4853 15.4078 37.4641 in (null):P-9999 (9) Number of specific fragments= 1 total=658 # 1b54.48.53 read from T0136.t2k.frag # found chain 1b54 in template set T0136 48 :ERLNNLLDP 1b54 54 :SDIQILYDH Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.82551 Ang O(44) at 23.135 21.462 -3.701 in (null):N-9999 (5) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) other bump:2.89492 Ang C(45) at 23.567 20.906 -2.694 in (null):N-9999 (5) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) other bump:3.31908 Ang CA(47) at 22.302 22.378 -1.242 in (null):L-9999 (6) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) other bump:2.73497 Ang C(53) at 22.881 23.695 -1.757 in (null):L-9999 (6) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) self-bump: 1.3564 Ang N(70) at 22.385 24.132 -5.187 in (null):P-9999 (9) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) other bump:2.57333 Ang O(52) at 22.163 24.49 -2.371 in (null):L-9999 (6) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) other bump:2.88646 Ang C(61) at 24.51 25.299 -3.51 in (null):L-9999 (7) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) neighbor-bump: 2.41121 Ang N(62) at 24.952 24.31 -4.284 in (null):D-9999 (8) and CD(74) at 22.8635 23.1137 -4.42942 in (null):P-9999 (9) other bump:1.81896 Ang O(44) at 23.135 21.462 -3.701 in (null):N-9999 (5) and CG(73) at 21.6007 22.3069 -4.19166 in (null):P-9999 (9) other bump:2.84108 Ang C(45) at 23.567 20.906 -2.694 in (null):N-9999 (5) and CG(73) at 21.6007 22.3069 -4.19166 in (null):P-9999 (9) other bump:3.03272 Ang CA(47) at 22.302 22.378 -1.242 in (null):L-9999 (6) and CG(73) at 21.6007 22.3069 -4.19166 in (null):P-9999 (9) other bump:3.08118 Ang C(53) at 22.881 23.695 -1.757 in (null):L-9999 (6) and CG(73) at 21.6007 22.3069 -4.19166 in (null):P-9999 (9) Number of specific fragments= 1 total=659 # 1a4pA.48.51 read from T0136.t2k.frag # found chain 1a4pA in template set T0136 48 :ERLNNLLDP 1a4pA 52 :DKIMKDLDQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=660 # 1foeA.49.50 read from T0136.t2k.frag # found chain 1foeA in template set T0136 49 :RLNNLLDPH 1foeA 1080 :ELDVLFGNL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0938 Ang CA(54) at 2.635 -81.708 43.842 in (null):D-9999 (7) and CD(65) at 3.19819 -80.4948 45.4529 in (null):P-9999 (8) neighbor-bump: 2.42564 Ang OD1(57) at 3.50578 -82.7751 46.2207 in (null):D-9999 (7) and CD(65) at 3.19819 -80.4948 45.4529 in (null):P-9999 (8) neighbor-bump: 1.72033 Ang C(60) at 3.981 -81.034 44.019 in (null):D-9999 (7) and CD(65) at 3.19819 -80.4948 45.4529 in (null):P-9999 (8) self-bump: 1.26845 Ang N(61) at 3.984 -79.877 44.672 in (null):P-9999 (8) and CD(65) at 3.19819 -80.4948 45.4529 in (null):P-9999 (8) neighbor-bump: 2.59221 Ang OD1(57) at 3.50578 -82.7751 46.2207 in (null):D-9999 (7) and CG(64) at 3.93851 -80.2766 46.7593 in (null):P-9999 (8) neighbor-bump: 2.84331 Ang C(60) at 3.981 -81.034 44.019 in (null):D-9999 (7) and CG(64) at 3.93851 -80.2766 46.7593 in (null):P-9999 (8) self-bump: 2.12564 Ang N(61) at 3.984 -79.877 44.672 in (null):P-9999 (8) and CG(64) at 3.93851 -80.2766 46.7593 in (null):P-9999 (8) Number of specific fragments= 1 total=661 # 1dlc.49.51 read from T0136.t2k.frag # found chain 1dlc in template set T0136 49 :RLNNLLDPH 1dlc 112 :QVEALMDQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=662 # 1fc6A.49.55 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 49 :RLNNLLDPH 1fc6A 132 :MLAVLDDPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=663 # 1bc5A.49.53 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 49 :RLNNLLDPH 1bc5A 69 :YLSMLEANQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15531 Ang O(35) at 54.831 14.485 34.736 in (null):N-9999 (4) and CD(65) at 55.5858 14.3751 36.7519 in (null):P-9999 (8) neighbor-bump: 2.10281 Ang C(60) at 54.874 14.638 38.713 in (null):D-9999 (7) and CD(65) at 55.5858 14.3751 36.7519 in (null):P-9999 (8) neighbor-bump: 2.62977 Ang C(60) at 54.874 14.638 38.713 in (null):D-9999 (7) and CG(64) at 56.9898 14.1393 37.233 in (null):P-9999 (8) Number of specific fragments= 1 total=664 # 1a8o.49.49 read from T0136.t2k.frag # adding 1a8o to template set 1a8o: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 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 1a8o in template set T0136 49 :RLNNLLDPH 1a8o 200 :TILKALGPG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11614 Ang O(66) at 7.68 30.812 8.017 in (null):P-9999 (8) and CB(70) at 8.51335 28.9355 7.50478 in (null):H-9999 (9) neighbor-bump: 2.40824 Ang C(67) at 7.912 30.54 9.197 in (null):P-9999 (8) and CB(70) at 8.51335 28.9355 7.50478 in (null):H-9999 (9) neighbor-bump: 2.28496 Ang O(51) at 7.371 35.579 7.281 in (null):L-9999 (6) and CB(55) at 5.55437 34.4261 8.05027 in (null):D-9999 (7) neighbor-bump: 2.66109 Ang C(52) at 7.481 36.243 8.312 in (null):L-9999 (6) and CB(55) at 5.55437 34.4261 8.05027 in (null):D-9999 (7) Number of specific fragments= 1 total=665 # 1b54.49.54 read from T0136.t2k.frag # found chain 1b54 in template set T0136 49 :RLNNLLDPH 1b54 55 :DIQILYDHG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54886 Ang O(66) at 19.426 26.169 -5.595 in (null):P-9999 (8) and CG(71) at 20.0106 28.4136 -6.65176 in (null):H-9999 (9) self-bump: 1.35639 Ang N(61) at 22.385 24.132 -5.187 in (null):P-9999 (8) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) other bump:3.31908 Ang CA(38) at 22.302 22.378 -1.242 in (null):L-9999 (5) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) other bump:2.57333 Ang O(43) at 22.163 24.49 -2.371 in (null):L-9999 (5) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) other bump:1.82551 Ang O(35) at 23.135 21.462 -3.701 in (null):N-9999 (4) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) other bump:2.89493 Ang C(36) at 23.567 20.906 -2.694 in (null):N-9999 (4) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) other bump:2.73497 Ang C(44) at 22.881 23.695 -1.757 in (null):L-9999 (5) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) neighbor-bump: 2.41121 Ang N(53) at 24.952 24.31 -4.284 in (null):D-9999 (7) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) other bump:2.88646 Ang C(52) at 24.51 25.299 -3.51 in (null):L-9999 (6) and CD(65) at 22.8635 23.1137 -4.42943 in (null):P-9999 (8) other bump:3.03272 Ang CA(38) at 22.302 22.378 -1.242 in (null):L-9999 (5) and CG(64) at 21.6007 22.3069 -4.19166 in (null):P-9999 (8) other bump:1.81896 Ang O(35) at 23.135 21.462 -3.701 in (null):N-9999 (4) and CG(64) at 21.6007 22.3069 -4.19166 in (null):P-9999 (8) other bump:2.84108 Ang C(36) at 23.567 20.906 -2.694 in (null):N-9999 (4) and CG(64) at 21.6007 22.3069 -4.19166 in (null):P-9999 (8) other bump:3.08118 Ang C(44) at 22.881 23.695 -1.757 in (null):L-9999 (5) and CG(64) at 21.6007 22.3069 -4.19166 in (null):P-9999 (8) Number of specific fragments= 1 total=666 # 1fc6A.50.56 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 50 :LNNLLDPHS 1fc6A 133 :LAVLDDPFT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=667 # 1dlc.50.52 read from T0136.t2k.frag # found chain 1dlc in template set T0136 50 :LNNLLDPHS 1dlc 113 :VEALMDQKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=668 # 1foeA.50.51 read from T0136.t2k.frag # found chain 1foeA in template set T0136 50 :LNNLLDPHS 1foeA 1081 :LDVLFGNLT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0938 Ang CA(43) at 2.635 -81.708 43.842 in (null):D-9999 (6) and CD(54) at 3.19819 -80.4948 45.4529 in (null):P-9999 (7) neighbor-bump: 2.42564 Ang OD1(46) at 3.50578 -82.7751 46.2207 in (null):D-9999 (6) and CD(54) at 3.19819 -80.4948 45.4529 in (null):P-9999 (7) neighbor-bump: 1.72033 Ang C(49) at 3.981 -81.034 44.019 in (null):D-9999 (6) and CD(54) at 3.19819 -80.4948 45.4529 in (null):P-9999 (7) self-bump: 1.26845 Ang N(50) at 3.984 -79.877 44.672 in (null):P-9999 (7) and CD(54) at 3.19819 -80.4948 45.4529 in (null):P-9999 (7) neighbor-bump: 2.59221 Ang OD1(46) at 3.50578 -82.7751 46.2207 in (null):D-9999 (6) and CG(53) at 3.93851 -80.2766 46.7593 in (null):P-9999 (7) neighbor-bump: 2.84331 Ang C(49) at 3.981 -81.034 44.019 in (null):D-9999 (6) and CG(53) at 3.93851 -80.2766 46.7593 in (null):P-9999 (7) self-bump: 2.12564 Ang N(50) at 3.984 -79.877 44.672 in (null):P-9999 (7) and CG(53) at 3.93851 -80.2766 46.7593 in (null):P-9999 (7) Number of specific fragments= 1 total=669 # 1b54.50.55 read from T0136.t2k.frag # found chain 1b54 in template set T0136 50 :LNNLLDPHS 1b54 56 :IQILYDHGV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54887 Ang O(55) at 19.426 26.169 -5.595 in (null):P-9999 (7) and CG(60) at 20.0106 28.4136 -6.65176 in (null):H-9999 (8) other bump:2.57333 Ang O(32) at 22.163 24.49 -2.371 in (null):L-9999 (4) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) self-bump: 1.35639 Ang N(50) at 22.385 24.132 -5.187 in (null):P-9999 (7) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) other bump:3.31908 Ang CA(27) at 22.302 22.378 -1.242 in (null):L-9999 (4) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) other bump:1.82551 Ang O(24) at 23.135 21.462 -3.701 in (null):N-9999 (3) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) other bump:2.89493 Ang C(25) at 23.567 20.906 -2.694 in (null):N-9999 (3) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) other bump:2.73497 Ang C(33) at 22.881 23.695 -1.757 in (null):L-9999 (4) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) other bump:2.88646 Ang C(41) at 24.51 25.299 -3.51 in (null):L-9999 (5) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) neighbor-bump: 2.41121 Ang N(42) at 24.952 24.31 -4.284 in (null):D-9999 (6) and CD(54) at 22.8635 23.1137 -4.42943 in (null):P-9999 (7) other bump:3.03272 Ang CA(27) at 22.302 22.378 -1.242 in (null):L-9999 (4) and CG(53) at 21.6007 22.3069 -4.19166 in (null):P-9999 (7) other bump:1.81896 Ang O(24) at 23.135 21.462 -3.701 in (null):N-9999 (3) and CG(53) at 21.6007 22.3069 -4.19166 in (null):P-9999 (7) other bump:2.84108 Ang C(25) at 23.567 20.906 -2.694 in (null):N-9999 (3) and CG(53) at 21.6007 22.3069 -4.19166 in (null):P-9999 (7) other bump:3.08118 Ang C(33) at 22.881 23.695 -1.757 in (null):L-9999 (4) and CG(53) at 21.6007 22.3069 -4.19166 in (null):P-9999 (7) Number of specific fragments= 1 total=670 # 1jc7A.50.51 read from T0136.t2k.frag # adding 1jc7A to template set 1jc7A:# found chain 1jc7A in template set T0136 50 :LNNLLDPHS 1jc7A 53 :HEILLDGGN Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.69586 Ang C(56) at 14.747 6.165 12.445 in (null):P-9999 (7) and CB(59) at 15.546 8.17153 14.0584 in (null):H-9999 (8) neighbor-bump: 1.78911 Ang CA(43) at 15.35 5.385 8.027 in (null):D-9999 (6) and CD(54) at 14.0479 4.80493 9.10822 in (null):P-9999 (7) neighbor-bump: 2.35124 Ang CB(44) at 15.241 4.086 7.214 in (null):D-9999 (6) and CD(54) at 14.0479 4.80493 9.10822 in (null):P-9999 (7) neighbor-bump: 2.15808 Ang CG(45) at 14.146 3.153 7.723 in (null):D-9999 (6) and CD(54) at 14.0479 4.80493 9.10822 in (null):P-9999 (7) neighbor-bump: 1.89505 Ang OD1(46) at 13.027 3.633 8.024 in (null):D-9999 (6) and CD(54) at 14.0479 4.80493 9.10822 in (null):P-9999 (7) neighbor-bump: 2.26495 Ang O(48) at 16.031 4.503 10.16 in (null):D-9999 (6) and CD(54) at 14.0479 4.80493 9.10822 in (null):P-9999 (7) neighbor-bump: 1.23957 Ang C(49) at 15.172 5.12 9.525 in (null):D-9999 (6) and CD(54) at 14.0479 4.80493 9.10822 in (null):P-9999 (7) self-bump: 1.27231 Ang N(50) at 14.073 5.615 10.089 in (null):P-9999 (7) and CD(54) at 14.0479 4.80493 9.10822 in (null):P-9999 (7) neighbor-bump: 3.09906 Ang CA(43) at 15.35 5.385 8.027 in (null):D-9999 (6) and CG(53) at 13.6534 3.54293 9.85255 in (null):P-9999 (7) neighbor-bump: 3.12685 Ang CB(44) at 15.241 4.086 7.214 in (null):D-9999 (6) and CG(53) at 13.6534 3.54293 9.85255 in (null):P-9999 (7) neighbor-bump: 2.22028 Ang CG(45) at 14.146 3.153 7.723 in (null):D-9999 (6) and CG(53) at 13.6534 3.54293 9.85255 in (null):P-9999 (7) neighbor-bump: 1.93497 Ang OD1(46) at 13.027 3.633 8.024 in (null):D-9999 (6) and CG(53) at 13.6534 3.54293 9.85255 in (null):P-9999 (7) neighbor-bump: 2.71141 Ang OD2(47) at 14.409 1.929 7.809 in (null):D-9999 (6) and CG(53) at 13.6534 3.54293 9.85255 in (null):P-9999 (7) neighbor-bump: 2.2137 Ang C(49) at 15.172 5.12 9.525 in (null):D-9999 (6) and CG(53) at 13.6534 3.54293 9.85255 in (null):P-9999 (7) self-bump: 2.1273 Ang N(50) at 14.073 5.615 10.089 in (null):P-9999 (7) and CG(53) at 13.6534 3.54293 9.85255 in (null):P-9999 (7) neighbor-bump: 2.28422 Ang O(48) at 16.031 4.503 10.16 in (null):D-9999 (6) and CB(52) at 14.1609 3.76449 11.2439 in (null):P-9999 (7) neighbor-bump: 2.41132 Ang C(49) at 15.172 5.12 9.525 in (null):D-9999 (6) and CB(52) at 14.1609 3.76449 11.2439 in (null):P-9999 (7) Number of specific fragments= 1 total=671 # 1bc5A.50.54 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 50 :LNNLLDPHS 1bc5A 70 :LSMLEANQN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15531 Ang O(24) at 54.831 14.485 34.736 in (null):N-9999 (3) and CD(54) at 55.5858 14.3751 36.7519 in (null):P-9999 (7) neighbor-bump: 2.10281 Ang C(49) at 54.874 14.638 38.713 in (null):D-9999 (6) and CD(54) at 55.5858 14.3751 36.7519 in (null):P-9999 (7) neighbor-bump: 2.62977 Ang C(49) at 54.874 14.638 38.713 in (null):D-9999 (6) and CG(53) at 56.9898 14.1393 37.233 in (null):P-9999 (7) Number of specific fragments= 1 total=672 # 1fc6A.51.57 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 51 :NNLLDPHSF 1fc6A 134 :AVLDDPFTR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.21543 Ang O(47) at 56.587 48.059 47.92 in (null):P-9999 (6) and CZ(73) at 55.6917 47.748 48.6809 in (null):F-9999 (9) other bump:2.92852 Ang CA(43) at 56.851 50.422 48.395 in (null):P-9999 (6) and CZ(73) at 55.6917 47.748 48.6809 in (null):F-9999 (9) other bump:2.23756 Ang C(48) at 57.319 49.062 47.886 in (null):P-9999 (6) and CZ(73) at 55.6917 47.748 48.6809 in (null):F-9999 (9) other bump:2.56784 Ang O(47) at 56.587 48.059 47.92 in (null):P-9999 (6) and CE2(72) at 55.0605 47.3617 49.8636 in (null):F-9999 (9) other bump:1.09958 Ang O(47) at 56.587 48.059 47.92 in (null):P-9999 (6) and CE1(71) at 56.7901 47.0161 48.2032 in (null):F-9999 (9) other bump:2.13684 Ang C(48) at 57.319 49.062 47.886 in (null):P-9999 (6) and CE1(71) at 56.7901 47.0161 48.2032 in (null):F-9999 (9) other bump:2.78208 Ang N(49) at 58.551 49.001 47.367 in (null):H-9999 (7) and CE1(71) at 56.7901 47.0161 48.2032 in (null):F-9999 (9) other bump:2.72347 Ang CA(50) at 59.079 47.718 46.905 in (null):H-9999 (7) and CE1(71) at 56.7901 47.0161 48.2032 in (null):F-9999 (9) other bump:2.96574 Ang C(58) at 59.752 46.971 48.06 in (null):H-9999 (7) and CE1(71) at 56.7901 47.0161 48.2032 in (null):F-9999 (9) other bump:2.4794 Ang O(47) at 56.587 48.059 47.92 in (null):P-9999 (6) and CD1(69) at 57.2448 45.8936 48.9328 in (null):F-9999 (9) Number of specific fragments= 1 total=673 # 1dlc.51.53 read from T0136.t2k.frag # found chain 1dlc in template set T0136 51 :NNLLDPHSF 1dlc 114 :EALMDQKIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=674 # 1jc7A.51.52 read from T0136.t2k.frag # found chain 1jc7A in template set T0136 51 :NNLLDPHSF 1jc7A 54 :EILLDGGNK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95088 Ang CB(44) at 14.1609 3.76449 11.2439 in (null):P-9999 (6) and CD2(70) at 15.6948 1.4295 12.194 in (null):F-9999 (9) neighbor-bump: 2.69586 Ang C(48) at 14.747 6.165 12.445 in (null):P-9999 (6) and CB(51) at 15.546 8.17153 14.0584 in (null):H-9999 (7) neighbor-bump: 2.15808 Ang CG(37) at 14.146 3.153 7.723 in (null):D-9999 (5) and CD(46) at 14.0479 4.80493 9.10822 in (null):P-9999 (6) neighbor-bump: 1.78911 Ang CA(35) at 15.35 5.385 8.027 in (null):D-9999 (5) and CD(46) at 14.0479 4.80493 9.10822 in (null):P-9999 (6) neighbor-bump: 2.35124 Ang CB(36) at 15.241 4.086 7.214 in (null):D-9999 (5) and CD(46) at 14.0479 4.80493 9.10822 in (null):P-9999 (6) neighbor-bump: 1.89505 Ang OD1(38) at 13.027 3.633 8.024 in (null):D-9999 (5) and CD(46) at 14.0479 4.80493 9.10822 in (null):P-9999 (6) neighbor-bump: 2.26495 Ang O(40) at 16.031 4.503 10.16 in (null):D-9999 (5) and CD(46) at 14.0479 4.80493 9.10822 in (null):P-9999 (6) neighbor-bump: 1.23957 Ang C(41) at 15.172 5.12 9.525 in (null):D-9999 (5) and CD(46) at 14.0479 4.80493 9.10822 in (null):P-9999 (6) self-bump: 1.27231 Ang N(42) at 14.073 5.615 10.089 in (null):P-9999 (6) and CD(46) at 14.0479 4.80493 9.10822 in (null):P-9999 (6) neighbor-bump: 2.22028 Ang CG(37) at 14.146 3.153 7.723 in (null):D-9999 (5) and CG(45) at 13.6534 3.54293 9.85255 in (null):P-9999 (6) neighbor-bump: 2.71141 Ang OD2(39) at 14.409 1.929 7.809 in (null):D-9999 (5) and CG(45) at 13.6534 3.54293 9.85255 in (null):P-9999 (6) neighbor-bump: 3.09906 Ang CA(35) at 15.35 5.385 8.027 in (null):D-9999 (5) and CG(45) at 13.6534 3.54293 9.85255 in (null):P-9999 (6) neighbor-bump: 3.12685 Ang CB(36) at 15.241 4.086 7.214 in (null):D-9999 (5) and CG(45) at 13.6534 3.54293 9.85255 in (null):P-9999 (6) neighbor-bump: 1.93497 Ang OD1(38) at 13.027 3.633 8.024 in (null):D-9999 (5) and CG(45) at 13.6534 3.54293 9.85255 in (null):P-9999 (6) neighbor-bump: 2.2137 Ang C(41) at 15.172 5.12 9.525 in (null):D-9999 (5) and CG(45) at 13.6534 3.54293 9.85255 in (null):P-9999 (6) self-bump: 2.1273 Ang N(42) at 14.073 5.615 10.089 in (null):P-9999 (6) and CG(45) at 13.6534 3.54293 9.85255 in (null):P-9999 (6) neighbor-bump: 2.28422 Ang O(40) at 16.031 4.503 10.16 in (null):D-9999 (5) and CB(44) at 14.1609 3.76449 11.2439 in (null):P-9999 (6) neighbor-bump: 2.41132 Ang C(41) at 15.172 5.12 9.525 in (null):D-9999 (5) and CB(44) at 14.1609 3.76449 11.2439 in (null):P-9999 (6) Number of specific fragments= 1 total=675 # 1a8o.51.51 read from T0136.t2k.frag # found chain 1a8o in template set T0136 51 :NNLLDPHSF 1a8o 202 :LKALGPGAT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.25091 Ang O(47) at 7.68 30.812 8.017 in (null):P-9999 (6) and CB(51) at 8.57173 28.7961 7.56135 in (null):H-9999 (7) neighbor-bump: 2.48027 Ang C(48) at 7.912 30.54 9.197 in (null):P-9999 (6) and CB(51) at 8.57173 28.7961 7.56135 in (null):H-9999 (7) neighbor-bump: 2.28496 Ang O(32) at 7.371 35.579 7.281 in (null):L-9999 (4) and CB(36) at 5.55437 34.4261 8.05027 in (null):D-9999 (5) neighbor-bump: 2.66109 Ang C(33) at 7.481 36.243 8.312 in (null):L-9999 (4) and CB(36) at 5.55437 34.4261 8.05027 in (null):D-9999 (5) Number of specific fragments= 1 total=676 # 1b54.51.56 read from T0136.t2k.frag # found chain 1b54 in template set T0136 51 :NNLLDPHSF 1b54 57 :QILYDHGVR Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.54887 Ang O(47) at 19.426 26.169 -5.595 in (null):P-9999 (6) and CG(52) at 20.0106 28.4136 -6.65176 in (null):H-9999 (7) self-bump: 1.35639 Ang N(42) at 22.385 24.132 -5.187 in (null):P-9999 (6) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) other bump:3.31908 Ang CA(19) at 22.302 22.378 -1.242 in (null):L-9999 (3) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) other bump:2.57333 Ang O(24) at 22.163 24.49 -2.371 in (null):L-9999 (3) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) other bump:2.89493 Ang C(17) at 23.567 20.906 -2.694 in (null):N-9999 (2) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) neighbor-bump: 2.41121 Ang N(34) at 24.952 24.31 -4.284 in (null):D-9999 (5) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) other bump:1.82551 Ang O(16) at 23.135 21.462 -3.701 in (null):N-9999 (2) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) other bump:2.73497 Ang C(25) at 22.881 23.695 -1.757 in (null):L-9999 (3) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) other bump:2.88646 Ang C(33) at 24.51 25.299 -3.51 in (null):L-9999 (4) and CD(46) at 22.8635 23.1137 -4.42943 in (null):P-9999 (6) other bump:3.03272 Ang CA(19) at 22.302 22.378 -1.242 in (null):L-9999 (3) and CG(45) at 21.6007 22.3069 -4.19166 in (null):P-9999 (6) other bump:2.84108 Ang C(17) at 23.567 20.906 -2.694 in (null):N-9999 (2) and CG(45) at 21.6007 22.3069 -4.19166 in (null):P-9999 (6) other bump:1.81896 Ang O(16) at 23.135 21.462 -3.701 in (null):N-9999 (2) and CG(45) at 21.6007 22.3069 -4.19166 in (null):P-9999 (6) other bump:3.08118 Ang C(25) at 22.881 23.695 -1.757 in (null):L-9999 (3) and CG(45) at 21.6007 22.3069 -4.19166 in (null):P-9999 (6) Number of specific fragments= 1 total=677 # 1foeA.51.52 read from T0136.t2k.frag # found chain 1foeA in template set T0136 51 :NNLLDPHSF 1foeA 1082 :DVLFGNLTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0938 Ang CA(35) at 2.635 -81.708 43.842 in (null):D-9999 (5) and CD(46) at 3.19819 -80.4948 45.4529 in (null):P-9999 (6) neighbor-bump: 1.72033 Ang C(41) at 3.981 -81.034 44.019 in (null):D-9999 (5) and CD(46) at 3.19819 -80.4948 45.4529 in (null):P-9999 (6) neighbor-bump: 2.42564 Ang OD1(38) at 3.50578 -82.7751 46.2207 in (null):D-9999 (5) and CD(46) at 3.19819 -80.4948 45.4529 in (null):P-9999 (6) self-bump: 1.26845 Ang N(42) at 3.984 -79.877 44.672 in (null):P-9999 (6) and CD(46) at 3.19819 -80.4948 45.4529 in (null):P-9999 (6) neighbor-bump: 2.84331 Ang C(41) at 3.981 -81.034 44.019 in (null):D-9999 (5) and CG(45) at 3.93851 -80.2766 46.7593 in (null):P-9999 (6) neighbor-bump: 2.59221 Ang OD1(38) at 3.50578 -82.7751 46.2207 in (null):D-9999 (5) and CG(45) at 3.93851 -80.2766 46.7593 in (null):P-9999 (6) self-bump: 2.12564 Ang N(42) at 3.984 -79.877 44.672 in (null):P-9999 (6) and CG(45) at 3.93851 -80.2766 46.7593 in (null):P-9999 (6) Number of specific fragments= 1 total=678 # 1fc6A.52.58 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 52 :NLLDPHSFD 1fc6A 135 :VLDDPFTRF Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12922 Ang CA(35) at 56.851 50.422 48.395 in (null):P-9999 (5) and CZ(65) at 55.6605 47.5294 48.4831 in (null):F-9999 (8) other bump:1.20659 Ang O(39) at 56.587 48.059 47.92 in (null):P-9999 (5) and CZ(65) at 55.6605 47.5294 48.4831 in (null):F-9999 (8) other bump:2.33577 Ang C(40) at 57.319 49.062 47.886 in (null):P-9999 (5) and CZ(65) at 55.6605 47.5294 48.4831 in (null):F-9999 (8) other bump:1.27456 Ang O(39) at 56.587 48.059 47.92 in (null):P-9999 (5) and CE2(64) at 56.7841 46.8084 48.0672 in (null):F-9999 (8) other bump:2.32329 Ang C(40) at 57.319 49.062 47.886 in (null):P-9999 (5) and CE2(64) at 56.7841 46.8084 48.0672 in (null):F-9999 (8) other bump:2.90168 Ang N(41) at 58.551 49.001 47.367 in (null):H-9999 (6) and CE2(64) at 56.7841 46.8084 48.0672 in (null):F-9999 (8) other bump:2.7285 Ang CA(42) at 59.079 47.718 46.905 in (null):H-9999 (6) and CE2(64) at 56.7841 46.8084 48.0672 in (null):F-9999 (8) other bump:2.97235 Ang C(50) at 59.752 46.971 48.06 in (null):H-9999 (6) and CE2(64) at 56.7841 46.8084 48.0672 in (null):F-9999 (8) other bump:2.50993 Ang O(39) at 56.587 48.059 47.92 in (null):P-9999 (5) and CE1(63) at 55.0112 47.1647 49.6569 in (null):F-9999 (8) other bump:2.58675 Ang O(39) at 56.587 48.059 47.92 in (null):P-9999 (5) and CD2(62) at 57.2467 45.7283 48.8278 in (null):F-9999 (8) other bump:2.90003 Ang C(50) at 59.752 46.971 48.06 in (null):H-9999 (6) and CD2(62) at 57.2467 45.7283 48.8278 in (null):F-9999 (8) Number of specific fragments= 1 total=679 # 1jc7A.52.53 read from T0136.t2k.frag # found chain 1jc7A in template set T0136 52 :NLLDPHSFD 1jc7A 55 :ILLDGGNKV Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53372 Ang CD2(23) at 21.154 6.933 8.833 in (null):L-9999 (3) and OD1(72) at 22.3742 5.0796 7.60995 in (null):D-9999 (9) other bump:2.62875 Ang CB(36) at 14.1609 3.76449 11.2439 in (null):P-9999 (5) and CD1(61) at 15.8526 2.12454 12.4097 in (null):F-9999 (8) neighbor-bump: 2.69586 Ang C(40) at 14.747 6.165 12.445 in (null):P-9999 (5) and CB(43) at 15.546 8.17153 14.0584 in (null):H-9999 (6) neighbor-bump: 2.15808 Ang CG(29) at 14.146 3.153 7.723 in (null):D-9999 (4) and CD(38) at 14.0479 4.80493 9.10822 in (null):P-9999 (5) neighbor-bump: 1.89505 Ang OD1(30) at 13.027 3.633 8.024 in (null):D-9999 (4) and CD(38) at 14.0479 4.80493 9.10822 in (null):P-9999 (5) neighbor-bump: 1.78911 Ang CA(27) at 15.35 5.385 8.027 in (null):D-9999 (4) and CD(38) at 14.0479 4.80493 9.10822 in (null):P-9999 (5) neighbor-bump: 2.35124 Ang CB(28) at 15.241 4.086 7.214 in (null):D-9999 (4) and CD(38) at 14.0479 4.80493 9.10822 in (null):P-9999 (5) neighbor-bump: 2.26495 Ang O(32) at 16.031 4.503 10.16 in (null):D-9999 (4) and CD(38) at 14.0479 4.80493 9.10822 in (null):P-9999 (5) neighbor-bump: 1.23957 Ang C(33) at 15.172 5.12 9.525 in (null):D-9999 (4) and CD(38) at 14.0479 4.80493 9.10822 in (null):P-9999 (5) self-bump: 1.27231 Ang N(34) at 14.073 5.615 10.089 in (null):P-9999 (5) and CD(38) at 14.0479 4.80493 9.10822 in (null):P-9999 (5) neighbor-bump: 2.22028 Ang CG(29) at 14.146 3.153 7.723 in (null):D-9999 (4) and CG(37) at 13.6534 3.54293 9.85255 in (null):P-9999 (5) neighbor-bump: 1.93497 Ang OD1(30) at 13.027 3.633 8.024 in (null):D-9999 (4) and CG(37) at 13.6534 3.54293 9.85255 in (null):P-9999 (5) neighbor-bump: 2.71141 Ang OD2(31) at 14.409 1.929 7.809 in (null):D-9999 (4) and CG(37) at 13.6534 3.54293 9.85255 in (null):P-9999 (5) neighbor-bump: 3.09906 Ang CA(27) at 15.35 5.385 8.027 in (null):D-9999 (4) and CG(37) at 13.6534 3.54293 9.85255 in (null):P-9999 (5) neighbor-bump: 3.12685 Ang CB(28) at 15.241 4.086 7.214 in (null):D-9999 (4) and CG(37) at 13.6534 3.54293 9.85255 in (null):P-9999 (5) neighbor-bump: 2.2137 Ang C(33) at 15.172 5.12 9.525 in (null):D-9999 (4) and CG(37) at 13.6534 3.54293 9.85255 in (null):P-9999 (5) self-bump: 2.1273 Ang N(34) at 14.073 5.615 10.089 in (null):P-9999 (5) and CG(37) at 13.6534 3.54293 9.85255 in (null):P-9999 (5) neighbor-bump: 2.28422 Ang O(32) at 16.031 4.503 10.16 in (null):D-9999 (4) and CB(36) at 14.1609 3.76449 11.2439 in (null):P-9999 (5) neighbor-bump: 2.41132 Ang C(33) at 15.172 5.12 9.525 in (null):D-9999 (4) and CB(36) at 14.1609 3.76449 11.2439 in (null):P-9999 (5) Number of specific fragments= 1 total=680 # 1a8o.52.52 read from T0136.t2k.frag # found chain 1a8o in template set T0136 52 :NLLDPHSFD 1a8o 203 :KALGPGATL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11448 Ang CD2(62) at 18.7291 31.4748 6.04332 in (null):F-9999 (8) and CA(77) at 19.51 34.489 6.111 in (null):G-9999 (10) other bump:2.49253 Ang CD2(62) at 18.7291 31.4748 6.04332 in (null):F-9999 (8) and N(76) at 19.082 33.643 7.221 in (null):G-9999 (10) other bump:3.0731 Ang CE2(64) at 19.9872 30.9075 6.15257 in (null):F-9999 (8) and N(76) at 19.082 33.643 7.221 in (null):G-9999 (10) self-bump: 1.39468 Ang CA(69) at 18.426 33.111 9.499 in (null):D-9999 (9) and CB(70) at 19.5372 32.6634 10.2132 in (null):D-9999 (9) neighbor-bump: 2.25091 Ang O(39) at 7.68 30.812 8.017 in (null):P-9999 (5) and CB(43) at 8.57173 28.7961 7.56135 in (null):H-9999 (6) neighbor-bump: 2.48027 Ang C(40) at 7.912 30.54 9.197 in (null):P-9999 (5) and CB(43) at 8.57173 28.7961 7.56135 in (null):H-9999 (6) neighbor-bump: 2.28496 Ang O(24) at 7.371 35.579 7.281 in (null):L-9999 (3) and CB(28) at 5.55437 34.4261 8.05027 in (null):D-9999 (4) neighbor-bump: 2.66109 Ang C(25) at 7.481 36.243 8.312 in (null):L-9999 (3) and CB(28) at 5.55437 34.4261 8.05027 in (null):D-9999 (4) Number of specific fragments= 1 total=681 # 1dowA.52.54 read from T0136.t2k.frag # adding 1dowA to template set 1dowA:Skipped atom 31, because occupancy 0.5 <= existing 0.500001 Skipped atom 33, because occupancy 0.5 <= existing 0.500001 Skipped atom 101, because occupancy 0.5 <= existing 0.500001 Skipped atom 103, because occupancy 0.5 <= existing 0.500001 Skipped atom 105, because occupancy 0.5 <= existing 0.500001 Skipped atom 107, because occupancy 0.5 <= existing 0.500001 Skipped atom 171, because occupancy 0.5 <= existing 0.500001 Skipped atom 173, because occupancy 0.5 <= existing 0.500001 Skipped atom 175, because occupancy 0.5 <= existing 0.500001 Skipped atom 177, because occupancy 0.5 <= existing 0.500001 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 400, because occupancy 0.5 <= existing 0.500001 Skipped atom 446, because occupancy 0.5 <= existing 0.500001 Skipped atom 448, because occupancy 0.5 <= existing 0.500001 Skipped atom 450, because occupancy 0.5 <= existing 0.500001 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 727, because occupancy 0.5 <= existing 0.500001 Skipped atom 729, because occupancy 0.5 <= existing 0.500001 Skipped atom 731, because occupancy 0.5 <= existing 0.500001 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 1454, because occupancy 0.5 <= existing 0.500001 Skipped atom 1456, because occupancy 0.5 <= existing 0.500001 Skipped atom 1458, because occupancy 0.5 <= existing 0.500001 # found chain 1dowA in template set T0136 52 :NLLDPHSFD 1dowA 111 :FADDPCSSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=682 # 1aky.52.55 read from T0136.t2k.frag # found chain 1aky in training set T0136 52 :NLLDPHSFD 1aky 55 :KIMDQGGLV 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 # 1dlc.52.54 read from T0136.t2k.frag # found chain 1dlc in template set T0136 52 :NLLDPHSFD 1dlc 115 :ALMDQKIAD 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 # 1a8o.53.53 read from T0136.t2k.frag # found chain 1a8o in template set T0136 53 :LLDPHSFDE 1a8o 204 :ALGPGATLE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13885 Ang CE2(56) at 19.9872 30.9075 6.15257 in (null):F-9999 (7) and OE2(74) at 21.955 31.483 6.762 in (null):E-9999 (9) other bump:2.69279 Ang CZ(57) at 20.1152 29.5465 6.42063 in (null):F-9999 (7) and OE2(74) at 21.955 31.483 6.762 in (null):E-9999 (9) other bump:2.4563 Ang CE1(55) at 18.9771 28.7623 6.57335 in (null):F-9999 (7) and OE1(73) at 19.902 30.999 6.155 in (null):E-9999 (9) other bump:2.33713 Ang CG(52) at 17.5837 30.706 6.19842 in (null):F-9999 (7) and OE1(73) at 19.902 30.999 6.155 in (null):E-9999 (9) other bump:2.75742 Ang CD1(53) at 17.7156 29.3467 6.45953 in (null):F-9999 (7) and OE1(73) at 19.902 30.999 6.155 in (null):E-9999 (9) other bump:1.27062 Ang CD2(54) at 18.7291 31.4748 6.04332 in (null):F-9999 (7) and OE1(73) at 19.902 30.999 6.155 in (null):E-9999 (9) other bump:0.125074 Ang CE2(56) at 19.9872 30.9075 6.15257 in (null):F-9999 (7) and OE1(73) at 19.902 30.999 6.155 in (null):E-9999 (9) other bump:1.49186 Ang CZ(57) at 20.1152 29.5465 6.42063 in (null):F-9999 (7) and OE1(73) at 19.902 30.999 6.155 in (null):E-9999 (9) other bump:2.23329 Ang CD2(54) at 18.7291 31.4748 6.04332 in (null):F-9999 (7) and CD(72) at 20.954 31.668 6.033 in (null):E-9999 (9) other bump:1.23583 Ang CE2(56) at 19.9872 30.9075 6.15257 in (null):F-9999 (7) and CD(72) at 20.954 31.668 6.033 in (null):E-9999 (9) other bump:2.31394 Ang CZ(57) at 20.1152 29.5465 6.42063 in (null):F-9999 (7) and CD(72) at 20.954 31.668 6.033 in (null):E-9999 (9) other bump:2.85214 Ang CD2(54) at 18.7291 31.4748 6.04332 in (null):F-9999 (7) and CG(71) at 21.035 32.751 4.953 in (null):E-9999 (9) other bump:2.43624 Ang CE2(56) at 19.9872 30.9075 6.15257 in (null):F-9999 (7) and CG(71) at 21.035 32.751 4.953 in (null):E-9999 (9) other bump:2.68059 Ang CD2(54) at 18.7291 31.4748 6.04332 in (null):F-9999 (7) and CB(70) at 19.784 33.638 4.863 in (null):E-9999 (9) other bump:3.02654 Ang CE2(56) at 19.9872 30.9075 6.15257 in (null):F-9999 (7) and CB(70) at 19.784 33.638 4.863 in (null):E-9999 (9) other bump:3.11448 Ang CD2(54) at 18.7291 31.4748 6.04332 in (null):F-9999 (7) and CA(69) at 19.51 34.489 6.111 in (null):E-9999 (9) other bump:2.49253 Ang CD2(54) at 18.7291 31.4748 6.04332 in (null):F-9999 (7) and N(68) at 19.082 33.643 7.221 in (null):E-9999 (9) other bump:3.0731 Ang CE2(56) at 19.9872 30.9075 6.15257 in (null):F-9999 (7) and N(68) at 19.082 33.643 7.221 in (null):E-9999 (9) self-bump: 2.34146 Ang CA(61) at 18.426 33.111 9.499 in (null):D-9999 (8) and OD1(64) at 19.1184 34.3989 11.3277 in (null):D-9999 (8) neighbor-bump: 2.25091 Ang O(31) at 7.68 30.812 8.017 in (null):P-9999 (4) and CB(35) at 8.57173 28.7961 7.56135 in (null):H-9999 (5) neighbor-bump: 2.48027 Ang C(32) at 7.912 30.54 9.197 in (null):P-9999 (4) and CB(35) at 8.57173 28.7961 7.56135 in (null):H-9999 (5) neighbor-bump: 2.28496 Ang O(16) at 7.371 35.579 7.281 in (null):L-9999 (2) and CB(20) at 5.55437 34.4261 8.05027 in (null):D-9999 (3) neighbor-bump: 2.66109 Ang C(17) at 7.481 36.243 8.312 in (null):L-9999 (2) and CB(20) at 5.55437 34.4261 8.05027 in (null):D-9999 (3) Number of specific fragments= 1 total=685 # 1jc7A.53.54 read from T0136.t2k.frag # found chain 1jc7A in template set T0136 53 :LLDPHSFDE 1jc7A 56 :LLDGGNKVV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62875 Ang CB(28) at 14.1609 3.76449 11.2439 in (null):P-9999 (4) and CD1(53) at 15.8526 2.12454 12.4097 in (null):F-9999 (7) neighbor-bump: 2.69586 Ang C(32) at 14.747 6.165 12.445 in (null):P-9999 (4) and CB(35) at 15.546 8.17153 14.0584 in (null):H-9999 (5) neighbor-bump: 1.78911 Ang CA(19) at 15.35 5.385 8.027 in (null):D-9999 (3) and CD(30) at 14.0479 4.80493 9.10822 in (null):P-9999 (4) neighbor-bump: 2.35124 Ang CB(20) at 15.241 4.086 7.214 in (null):D-9999 (3) and CD(30) at 14.0479 4.80493 9.10822 in (null):P-9999 (4) neighbor-bump: 2.15808 Ang CG(21) at 14.146 3.153 7.723 in (null):D-9999 (3) and CD(30) at 14.0479 4.80493 9.10822 in (null):P-9999 (4) neighbor-bump: 1.89505 Ang OD1(22) at 13.027 3.633 8.024 in (null):D-9999 (3) and CD(30) at 14.0479 4.80493 9.10822 in (null):P-9999 (4) neighbor-bump: 2.26495 Ang O(24) at 16.031 4.503 10.16 in (null):D-9999 (3) and CD(30) at 14.0479 4.80493 9.10822 in (null):P-9999 (4) neighbor-bump: 1.23957 Ang C(25) at 15.172 5.12 9.525 in (null):D-9999 (3) and CD(30) at 14.0479 4.80493 9.10822 in (null):P-9999 (4) self-bump: 1.27231 Ang N(26) at 14.073 5.615 10.089 in (null):P-9999 (4) and CD(30) at 14.0479 4.80493 9.10822 in (null):P-9999 (4) neighbor-bump: 2.71141 Ang OD2(23) at 14.409 1.929 7.809 in (null):D-9999 (3) and CG(29) at 13.6534 3.54293 9.85255 in (null):P-9999 (4) neighbor-bump: 3.09906 Ang CA(19) at 15.35 5.385 8.027 in (null):D-9999 (3) and CG(29) at 13.6534 3.54293 9.85255 in (null):P-9999 (4) neighbor-bump: 3.12685 Ang CB(20) at 15.241 4.086 7.214 in (null):D-9999 (3) and CG(29) at 13.6534 3.54293 9.85255 in (null):P-9999 (4) neighbor-bump: 2.22028 Ang CG(21) at 14.146 3.153 7.723 in (null):D-9999 (3) and CG(29) at 13.6534 3.54293 9.85255 in (null):P-9999 (4) neighbor-bump: 1.93497 Ang OD1(22) at 13.027 3.633 8.024 in (null):D-9999 (3) and CG(29) at 13.6534 3.54293 9.85255 in (null):P-9999 (4) neighbor-bump: 2.2137 Ang C(25) at 15.172 5.12 9.525 in (null):D-9999 (3) and CG(29) at 13.6534 3.54293 9.85255 in (null):P-9999 (4) self-bump: 2.1273 Ang N(26) at 14.073 5.615 10.089 in (null):P-9999 (4) and CG(29) at 13.6534 3.54293 9.85255 in (null):P-9999 (4) neighbor-bump: 2.28422 Ang O(24) at 16.031 4.503 10.16 in (null):D-9999 (3) and CB(28) at 14.1609 3.76449 11.2439 in (null):P-9999 (4) neighbor-bump: 2.41132 Ang C(25) at 15.172 5.12 9.525 in (null):D-9999 (3) and CB(28) at 14.1609 3.76449 11.2439 in (null):P-9999 (4) Number of specific fragments= 1 total=686 # 1fc6A.53.59 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 53 :LLDPHSFDE 1fc6A 136 :LDDPFTRFL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.20659 Ang O(31) at 56.587 48.059 47.92 in (null):P-9999 (4) and CZ(57) at 55.6605 47.5294 48.4831 in (null):F-9999 (7) other bump:2.33577 Ang C(32) at 57.319 49.062 47.886 in (null):P-9999 (4) and CZ(57) at 55.6605 47.5294 48.4831 in (null):F-9999 (7) other bump:3.12922 Ang CA(27) at 56.851 50.422 48.395 in (null):P-9999 (4) and CZ(57) at 55.6605 47.5294 48.4831 in (null):F-9999 (7) other bump:1.27456 Ang O(31) at 56.587 48.059 47.92 in (null):P-9999 (4) and CE2(56) at 56.7841 46.8084 48.0672 in (null):F-9999 (7) other bump:2.32329 Ang C(32) at 57.319 49.062 47.886 in (null):P-9999 (4) and CE2(56) at 56.7841 46.8084 48.0672 in (null):F-9999 (7) other bump:2.90168 Ang N(33) at 58.551 49.001 47.367 in (null):H-9999 (5) and CE2(56) at 56.7841 46.8084 48.0672 in (null):F-9999 (7) other bump:2.7285 Ang CA(34) at 59.079 47.718 46.905 in (null):H-9999 (5) and CE2(56) at 56.7841 46.8084 48.0672 in (null):F-9999 (7) other bump:2.97235 Ang C(42) at 59.752 46.971 48.06 in (null):H-9999 (5) and CE2(56) at 56.7841 46.8084 48.0672 in (null):F-9999 (7) other bump:2.50993 Ang O(31) at 56.587 48.059 47.92 in (null):P-9999 (4) and CE1(55) at 55.0112 47.1647 49.6569 in (null):F-9999 (7) other bump:2.58675 Ang O(31) at 56.587 48.059 47.92 in (null):P-9999 (4) and CD2(54) at 57.2467 45.7283 48.8278 in (null):F-9999 (7) other bump:2.90003 Ang C(42) at 59.752 46.971 48.06 in (null):H-9999 (5) and CD2(54) at 57.2467 45.7283 48.8278 in (null):F-9999 (7) Number of specific fragments= 1 total=687 # 1dowA.53.55 read from T0136.t2k.frag # found chain 1dowA in template set T0136 53 :LLDPHSFDE 1dowA 112 :ADDPCSSVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=688 # 1aky.53.56 read from T0136.t2k.frag # found chain 1aky in training set T0136 53 :LLDPHSFDE 1aky 56 :IMDQGGLVS 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 # 1a0fA.53.55 read from T0136.t2k.frag # adding 1a0fA to template set 1a0fA:# found chain 1a0fA in template set T0136 53 :LLDPHSFDE 1a0fA 56 :LLDDGTLLT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.33922 Ang CZ(57) at 40.9398 -41.516 74.4099 in (null):F-9999 (7) and OE2(74) at 41.3119 -41.4128 73.1276 in (null):E-9999 (9) other bump:2.54791 Ang CE2(56) at 40.4125 -42.4698 75.2643 in (null):F-9999 (7) and OE2(74) at 41.3119 -41.4128 73.1276 in (null):E-9999 (9) other bump:2.54878 Ang CD1(53) at 43.0463 -42.6847 74.4951 in (null):F-9999 (7) and OE2(74) at 41.3119 -41.4128 73.1276 in (null):E-9999 (9) other bump:1.32607 Ang CE1(55) at 42.2701 -41.6518 74.0125 in (null):F-9999 (7) and OE2(74) at 41.3119 -41.4128 73.1276 in (null):E-9999 (9) other bump:2.53481 Ang CZ(57) at 40.9398 -41.516 74.4099 in (null):F-9999 (7) and CD(72) at 41.6405 -40.8328 72.0717 in (null):E-9999 (9) other bump:2.19869 Ang CE1(55) at 42.2701 -41.6518 74.0125 in (null):F-9999 (7) and CD(72) at 41.6405 -40.8328 72.0717 in (null):E-9999 (9) neighbor-bump: 2.53516 Ang N(18) at 40.891 -53.852 75.853 in (null):D-9999 (3) and CD(30) at 43.0474 -55.0844 76.361 in (null):P-9999 (4) neighbor-bump: 2.78274 Ang CB(20) at 40.493 -56.146 76.664 in (null):D-9999 (3) and CD(30) at 43.0474 -55.0844 76.361 in (null):P-9999 (4) self-bump: 1.36253 Ang N(26) at 42.961 -54.533 77.604 in (null):P-9999 (4) and CD(30) at 43.0474 -55.0844 76.361 in (null):P-9999 (4) self-bump: 2.21699 Ang N(26) at 42.961 -54.533 77.604 in (null):P-9999 (4) and CG(29) at 44.4981 -55.5291 76.3549 in (null):P-9999 (4) Number of specific fragments= 1 total=690 # 1a8o.54.54 read from T0136.t2k.frag # found chain 1a8o in template set T0136 54 :LDPHSFDEV 1a8o 205 :LGPGATLEE Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13885 Ang CE2(48) at 19.9872 30.9075 6.15257 in (null):F-9999 (6) and OE2(66) at 21.955 31.483 6.762 in (null):E-9999 (8) other bump:2.69279 Ang CZ(49) at 20.1152 29.5465 6.42063 in (null):F-9999 (6) and OE2(66) at 21.955 31.483 6.762 in (null):E-9999 (8) other bump:2.4563 Ang CE1(47) at 18.9771 28.7623 6.57335 in (null):F-9999 (6) and OE1(65) at 19.902 30.999 6.155 in (null):E-9999 (8) other bump:2.33713 Ang CG(44) at 17.5837 30.706 6.19842 in (null):F-9999 (6) and OE1(65) at 19.902 30.999 6.155 in (null):E-9999 (8) other bump:2.75742 Ang CD1(45) at 17.7156 29.3467 6.45953 in (null):F-9999 (6) and OE1(65) at 19.902 30.999 6.155 in (null):E-9999 (8) other bump:1.27062 Ang CD2(46) at 18.7291 31.4748 6.04332 in (null):F-9999 (6) and OE1(65) at 19.902 30.999 6.155 in (null):E-9999 (8) other bump:0.125074 Ang CE2(48) at 19.9872 30.9075 6.15257 in (null):F-9999 (6) and OE1(65) at 19.902 30.999 6.155 in (null):E-9999 (8) other bump:1.49186 Ang CZ(49) at 20.1152 29.5465 6.42063 in (null):F-9999 (6) and OE1(65) at 19.902 30.999 6.155 in (null):E-9999 (8) other bump:2.23329 Ang CD2(46) at 18.7291 31.4748 6.04332 in (null):F-9999 (6) and CD(64) at 20.954 31.668 6.033 in (null):E-9999 (8) other bump:1.23583 Ang CE2(48) at 19.9872 30.9075 6.15257 in (null):F-9999 (6) and CD(64) at 20.954 31.668 6.033 in (null):E-9999 (8) other bump:2.31394 Ang CZ(49) at 20.1152 29.5465 6.42063 in (null):F-9999 (6) and CD(64) at 20.954 31.668 6.033 in (null):E-9999 (8) other bump:2.85214 Ang CD2(46) at 18.7291 31.4748 6.04332 in (null):F-9999 (6) and CG(63) at 21.035 32.751 4.953 in (null):E-9999 (8) other bump:2.43624 Ang CE2(48) at 19.9872 30.9075 6.15257 in (null):F-9999 (6) and CG(63) at 21.035 32.751 4.953 in (null):E-9999 (8) other bump:2.68059 Ang CD2(46) at 18.7291 31.4748 6.04332 in (null):F-9999 (6) and CB(62) at 19.784 33.638 4.863 in (null):E-9999 (8) other bump:3.02654 Ang CE2(48) at 19.9872 30.9075 6.15257 in (null):F-9999 (6) and CB(62) at 19.784 33.638 4.863 in (null):E-9999 (8) other bump:3.11448 Ang CD2(46) at 18.7291 31.4748 6.04332 in (null):F-9999 (6) and CA(61) at 19.51 34.489 6.111 in (null):E-9999 (8) other bump:2.49253 Ang CD2(46) at 18.7291 31.4748 6.04332 in (null):F-9999 (6) and N(60) at 19.082 33.643 7.221 in (null):E-9999 (8) other bump:3.0731 Ang CE2(48) at 19.9872 30.9075 6.15257 in (null):F-9999 (6) and N(60) at 19.082 33.643 7.221 in (null):E-9999 (8) self-bump: 2.34146 Ang CA(53) at 18.426 33.111 9.499 in (null):D-9999 (7) and OD1(56) at 19.1184 34.3989 11.3277 in (null):D-9999 (7) neighbor-bump: 2.25091 Ang O(23) at 7.68 30.812 8.017 in (null):P-9999 (3) and CB(27) at 8.57173 28.7961 7.56135 in (null):H-9999 (4) neighbor-bump: 2.48027 Ang C(24) at 7.912 30.54 9.197 in (null):P-9999 (3) and CB(27) at 8.57173 28.7961 7.56135 in (null):H-9999 (4) neighbor-bump: 2.28496 Ang O(8) at 7.371 35.579 7.281 in (null):L-9999 (1) and CB(12) at 5.55437 34.4261 8.05027 in (null):D-9999 (2) neighbor-bump: 2.66109 Ang C(9) at 7.481 36.243 8.312 in (null):L-9999 (1) and CB(12) at 5.55437 34.4261 8.05027 in (null):D-9999 (2) Number of specific fragments= 1 total=691 # 1jc7A.54.55 read from T0136.t2k.frag # found chain 1jc7A in template set T0136 54 :LDPHSFDEV 1jc7A 57 :LDGGNKVVI Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62875 Ang CB(20) at 14.1609 3.76449 11.2439 in (null):P-9999 (3) and CD1(45) at 15.8526 2.12454 12.4097 in (null):F-9999 (6) neighbor-bump: 2.69586 Ang C(24) at 14.747 6.165 12.445 in (null):P-9999 (3) and CB(27) at 15.546 8.17153 14.0584 in (null):H-9999 (4) neighbor-bump: 2.15808 Ang CG(13) at 14.146 3.153 7.723 in (null):D-9999 (2) and CD(22) at 14.0479 4.80493 9.10822 in (null):P-9999 (3) neighbor-bump: 1.89505 Ang OD1(14) at 13.027 3.633 8.024 in (null):D-9999 (2) and CD(22) at 14.0479 4.80493 9.10822 in (null):P-9999 (3) neighbor-bump: 1.78911 Ang CA(11) at 15.35 5.385 8.027 in (null):D-9999 (2) and CD(22) at 14.0479 4.80493 9.10822 in (null):P-9999 (3) neighbor-bump: 2.35124 Ang CB(12) at 15.241 4.086 7.214 in (null):D-9999 (2) and CD(22) at 14.0479 4.80493 9.10822 in (null):P-9999 (3) neighbor-bump: 2.26495 Ang O(16) at 16.031 4.503 10.16 in (null):D-9999 (2) and CD(22) at 14.0479 4.80493 9.10822 in (null):P-9999 (3) neighbor-bump: 1.23957 Ang C(17) at 15.172 5.12 9.525 in (null):D-9999 (2) and CD(22) at 14.0479 4.80493 9.10822 in (null):P-9999 (3) self-bump: 1.27231 Ang N(18) at 14.073 5.615 10.089 in (null):P-9999 (3) and CD(22) at 14.0479 4.80493 9.10822 in (null):P-9999 (3) neighbor-bump: 2.22028 Ang CG(13) at 14.146 3.153 7.723 in (null):D-9999 (2) and CG(21) at 13.6534 3.54293 9.85255 in (null):P-9999 (3) neighbor-bump: 1.93497 Ang OD1(14) at 13.027 3.633 8.024 in (null):D-9999 (2) and CG(21) at 13.6534 3.54293 9.85255 in (null):P-9999 (3) neighbor-bump: 2.71141 Ang OD2(15) at 14.409 1.929 7.809 in (null):D-9999 (2) and CG(21) at 13.6534 3.54293 9.85255 in (null):P-9999 (3) neighbor-bump: 3.09906 Ang CA(11) at 15.35 5.385 8.027 in (null):D-9999 (2) and CG(21) at 13.6534 3.54293 9.85255 in (null):P-9999 (3) neighbor-bump: 3.12685 Ang CB(12) at 15.241 4.086 7.214 in (null):D-9999 (2) and CG(21) at 13.6534 3.54293 9.85255 in (null):P-9999 (3) neighbor-bump: 2.2137 Ang C(17) at 15.172 5.12 9.525 in (null):D-9999 (2) and CG(21) at 13.6534 3.54293 9.85255 in (null):P-9999 (3) self-bump: 2.1273 Ang N(18) at 14.073 5.615 10.089 in (null):P-9999 (3) and CG(21) at 13.6534 3.54293 9.85255 in (null):P-9999 (3) neighbor-bump: 2.28422 Ang O(16) at 16.031 4.503 10.16 in (null):D-9999 (2) and CB(20) at 14.1609 3.76449 11.2439 in (null):P-9999 (3) neighbor-bump: 2.41132 Ang C(17) at 15.172 5.12 9.525 in (null):D-9999 (2) and CB(20) at 14.1609 3.76449 11.2439 in (null):P-9999 (3) Number of specific fragments= 1 total=692 # 1fc6A.54.60 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 54 :LDPHSFDEV 1fc6A 137 :DDPFTRFLE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.20659 Ang O(23) at 56.587 48.059 47.92 in (null):P-9999 (3) and CZ(49) at 55.6605 47.5294 48.4831 in (null):F-9999 (6) other bump:2.33577 Ang C(24) at 57.319 49.062 47.886 in (null):P-9999 (3) and CZ(49) at 55.6605 47.5294 48.4831 in (null):F-9999 (6) other bump:3.12922 Ang CA(19) at 56.851 50.422 48.395 in (null):P-9999 (3) and CZ(49) at 55.6605 47.5294 48.4831 in (null):F-9999 (6) other bump:1.27456 Ang O(23) at 56.587 48.059 47.92 in (null):P-9999 (3) and CE2(48) at 56.7841 46.8084 48.0672 in (null):F-9999 (6) other bump:2.32329 Ang C(24) at 57.319 49.062 47.886 in (null):P-9999 (3) and CE2(48) at 56.7841 46.8084 48.0672 in (null):F-9999 (6) other bump:2.90168 Ang N(25) at 58.551 49.001 47.367 in (null):H-9999 (4) and CE2(48) at 56.7841 46.8084 48.0672 in (null):F-9999 (6) other bump:2.7285 Ang CA(26) at 59.079 47.718 46.905 in (null):H-9999 (4) and CE2(48) at 56.7841 46.8084 48.0672 in (null):F-9999 (6) other bump:2.97235 Ang C(34) at 59.752 46.971 48.06 in (null):H-9999 (4) and CE2(48) at 56.7841 46.8084 48.0672 in (null):F-9999 (6) other bump:2.50993 Ang O(23) at 56.587 48.059 47.92 in (null):P-9999 (3) and CE1(47) at 55.0112 47.1647 49.6569 in (null):F-9999 (6) other bump:2.58675 Ang O(23) at 56.587 48.059 47.92 in (null):P-9999 (3) and CD2(46) at 57.2467 45.7283 48.8278 in (null):F-9999 (6) other bump:2.90003 Ang C(34) at 59.752 46.971 48.06 in (null):H-9999 (4) and CD2(46) at 57.2467 45.7283 48.8278 in (null):F-9999 (6) Number of specific fragments= 1 total=693 # 1dowA.54.56 read from T0136.t2k.frag # found chain 1dowA in template set T0136 54 :LDPHSFDEV 1dowA 113 :DDPCSSVKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=694 # 1bc5A.54.58 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 54 :LDPHSFDEV 1bc5A 74 :EANQNSAEW Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41613 Ang CG(21) at 56.9898 14.1393 37.233 in (null):P-9999 (3) and CZ(49) at 58.6853 14.1722 35.512 in (null):F-9999 (6) other bump:2.5629 Ang CB(20) at 57.5388 15.5252 37.3623 in (null):P-9999 (3) and CZ(49) at 58.6853 14.1722 35.512 in (null):F-9999 (6) other bump:1.98899 Ang CG(21) at 56.9898 14.1393 37.233 in (null):P-9999 (3) and CE1(47) at 58.4124 15.2415 36.386 in (null):F-9999 (6) other bump:2.63769 Ang CA(19) at 56.42 16.254 37.787 in (null):P-9999 (3) and CE1(47) at 58.4124 15.2415 36.386 in (null):F-9999 (6) other bump:1.34037 Ang CB(20) at 57.5388 15.5252 37.3623 in (null):P-9999 (3) and CE1(47) at 58.4124 15.2415 36.386 in (null):F-9999 (6) other bump:2.64536 Ang CA(19) at 56.42 16.254 37.787 in (null):P-9999 (3) and CD1(45) at 58.1828 16.5189 35.8325 in (null):F-9999 (6) other bump:1.93455 Ang CB(20) at 57.5388 15.5252 37.3623 in (null):P-9999 (3) and CD1(45) at 58.1828 16.5189 35.8325 in (null):F-9999 (6) other bump:2.61872 Ang O(23) at 56.249 18.196 36.385 in (null):P-9999 (3) and CD1(45) at 58.1828 16.5189 35.8325 in (null):F-9999 (6) neighbor-bump: 2.10281 Ang C(17) at 54.874 14.638 38.713 in (null):D-9999 (2) and CD(22) at 55.5858 14.3751 36.7518 in (null):P-9999 (3) neighbor-bump: 2.62977 Ang C(17) at 54.874 14.638 38.713 in (null):D-9999 (2) and CG(21) at 56.9898 14.1393 37.233 in (null):P-9999 (3) Number of specific fragments= 1 total=695 # 1aky.54.57 read from T0136.t2k.frag # found chain 1aky in training set T0136 54 :LDPHSFDEV 1aky 57 :MDQGGLVSD 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 # 1bc5A.55.59 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 55 :DPHSFDEVG 1bc5A 75 :ANQNSAEWQ Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41614 Ang CG(13) at 56.9898 14.1393 37.233 in (null):P-9999 (2) and CZ(41) at 58.6853 14.1722 35.512 in (null):F-9999 (5) other bump:2.5629 Ang CB(12) at 57.5388 15.5252 37.3623 in (null):P-9999 (2) and CZ(41) at 58.6853 14.1722 35.512 in (null):F-9999 (5) other bump:1.989 Ang CG(13) at 56.9898 14.1393 37.233 in (null):P-9999 (2) and CE1(39) at 58.4124 15.2415 36.386 in (null):F-9999 (5) other bump:2.6377 Ang CA(11) at 56.42 16.254 37.787 in (null):P-9999 (2) and CE1(39) at 58.4124 15.2415 36.386 in (null):F-9999 (5) other bump:1.34038 Ang CB(12) at 57.5388 15.5252 37.3623 in (null):P-9999 (2) and CE1(39) at 58.4124 15.2415 36.386 in (null):F-9999 (5) other bump:2.61873 Ang O(15) at 56.249 18.196 36.385 in (null):P-9999 (2) and CD1(37) at 58.1828 16.5189 35.8325 in (null):F-9999 (5) other bump:2.64536 Ang CA(11) at 56.42 16.254 37.787 in (null):P-9999 (2) and CD1(37) at 58.1828 16.5189 35.8325 in (null):F-9999 (5) other bump:1.93455 Ang CB(12) at 57.5388 15.5252 37.3623 in (null):P-9999 (2) and CD1(37) at 58.1828 16.5189 35.8325 in (null):F-9999 (5) neighbor-bump: 2.10281 Ang C(9) at 54.874 14.638 38.713 in (null):D-9999 (1) and CD(14) at 55.5858 14.3751 36.7518 in (null):P-9999 (2) neighbor-bump: 2.62977 Ang C(9) at 54.874 14.638 38.713 in (null):D-9999 (1) and CG(13) at 56.9898 14.1393 37.233 in (null):P-9999 (2) Number of specific fragments= 1 total=697 # 1a8o.55.55 read from T0136.t2k.frag # found chain 1a8o in template set T0136 55 :DPHSFDEVG 1a8o 206 :GPGATLEEM Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13885 Ang CE2(40) at 19.9872 30.9075 6.15257 in (null):F-9999 (5) and OE2(58) at 21.955 31.483 6.762 in (null):E-9999 (7) other bump:2.69279 Ang CZ(41) at 20.1152 29.5465 6.42063 in (null):F-9999 (5) and OE2(58) at 21.955 31.483 6.762 in (null):E-9999 (7) other bump:2.33713 Ang CG(36) at 17.5837 30.706 6.19842 in (null):F-9999 (5) and OE1(57) at 19.902 30.999 6.155 in (null):E-9999 (7) other bump:2.75742 Ang CD1(37) at 17.7156 29.3467 6.45953 in (null):F-9999 (5) and OE1(57) at 19.902 30.999 6.155 in (null):E-9999 (7) other bump:2.4563 Ang CE1(39) at 18.9771 28.7623 6.57335 in (null):F-9999 (5) and OE1(57) at 19.902 30.999 6.155 in (null):E-9999 (7) other bump:1.27062 Ang CD2(38) at 18.7291 31.4748 6.04332 in (null):F-9999 (5) and OE1(57) at 19.902 30.999 6.155 in (null):E-9999 (7) other bump:0.125074 Ang CE2(40) at 19.9872 30.9075 6.15257 in (null):F-9999 (5) and OE1(57) at 19.902 30.999 6.155 in (null):E-9999 (7) other bump:1.49186 Ang CZ(41) at 20.1152 29.5465 6.42063 in (null):F-9999 (5) and OE1(57) at 19.902 30.999 6.155 in (null):E-9999 (7) other bump:2.23329 Ang CD2(38) at 18.7291 31.4748 6.04332 in (null):F-9999 (5) and CD(56) at 20.954 31.668 6.033 in (null):E-9999 (7) other bump:1.23583 Ang CE2(40) at 19.9872 30.9075 6.15257 in (null):F-9999 (5) and CD(56) at 20.954 31.668 6.033 in (null):E-9999 (7) other bump:2.31394 Ang CZ(41) at 20.1152 29.5465 6.42063 in (null):F-9999 (5) and CD(56) at 20.954 31.668 6.033 in (null):E-9999 (7) other bump:2.85214 Ang CD2(38) at 18.7291 31.4748 6.04332 in (null):F-9999 (5) and CG(55) at 21.035 32.751 4.953 in (null):E-9999 (7) other bump:2.43624 Ang CE2(40) at 19.9872 30.9075 6.15257 in (null):F-9999 (5) and CG(55) at 21.035 32.751 4.953 in (null):E-9999 (7) other bump:2.68059 Ang CD2(38) at 18.7291 31.4748 6.04332 in (null):F-9999 (5) and CB(54) at 19.784 33.638 4.863 in (null):E-9999 (7) other bump:3.02654 Ang CE2(40) at 19.9872 30.9075 6.15257 in (null):F-9999 (5) and CB(54) at 19.784 33.638 4.863 in (null):E-9999 (7) other bump:3.11448 Ang CD2(38) at 18.7291 31.4748 6.04332 in (null):F-9999 (5) and CA(53) at 19.51 34.489 6.111 in (null):E-9999 (7) other bump:2.49253 Ang CD2(38) at 18.7291 31.4748 6.04332 in (null):F-9999 (5) and N(52) at 19.082 33.643 7.221 in (null):E-9999 (7) other bump:3.0731 Ang CE2(40) at 19.9872 30.9075 6.15257 in (null):F-9999 (5) and N(52) at 19.082 33.643 7.221 in (null):E-9999 (7) self-bump: 2.34146 Ang CA(45) at 18.426 33.111 9.499 in (null):D-9999 (6) and OD1(48) at 19.1184 34.3989 11.3277 in (null):D-9999 (6) neighbor-bump: 2.25091 Ang O(15) at 7.68 30.812 8.017 in (null):P-9999 (2) and CB(19) at 8.57173 28.7961 7.56135 in (null):H-9999 (3) neighbor-bump: 2.48027 Ang C(16) at 7.912 30.54 9.197 in (null):P-9999 (2) and CB(19) at 8.57173 28.7961 7.56135 in (null):H-9999 (3) neighbor-bump: 2.17017 Ang CB(4) at 4.90736 34.2322 9.7715 in (null):D-9999 (1) and CD(14) at 4.839 32.09 10.112 in (null):P-9999 (2) neighbor-bump: 2.38554 Ang CB(4) at 4.90736 34.2322 9.7715 in (null):D-9999 (1) and N(10) at 6.294 32.31 10.042 in (null):P-9999 (2) self-bump: 2.15212 Ang CB(4) at 4.90736 34.2322 9.7715 in (null):D-9999 (1) and C(9) at 6.922 33.478 9.835 in (null):D-9999 (1) self-bump: 1.2836 Ang CA(3) at 6.08 34.704 9.548 in (null):D-9999 (1) and CB(4) at 4.90736 34.2322 9.7715 in (null):D-9999 (1) Number of specific fragments= 1 total=698 # 1fc6A.55.61 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 55 :DPHSFDEVG 1fc6A 138 :DPFTRFLEP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.12922 Ang CA(11) at 56.851 50.422 48.395 in (null):P-9999 (2) and CZ(41) at 55.6605 47.5294 48.4831 in (null):F-9999 (5) other bump:1.20659 Ang O(15) at 56.587 48.059 47.92 in (null):P-9999 (2) and CZ(41) at 55.6605 47.5294 48.4831 in (null):F-9999 (5) other bump:2.33577 Ang C(16) at 57.319 49.062 47.886 in (null):P-9999 (2) and CZ(41) at 55.6605 47.5294 48.4831 in (null):F-9999 (5) other bump:1.27456 Ang O(15) at 56.587 48.059 47.92 in (null):P-9999 (2) and CE2(40) at 56.7841 46.8084 48.0672 in (null):F-9999 (5) other bump:2.32329 Ang C(16) at 57.319 49.062 47.886 in (null):P-9999 (2) and CE2(40) at 56.7841 46.8084 48.0672 in (null):F-9999 (5) other bump:2.90168 Ang N(17) at 58.551 49.001 47.367 in (null):H-9999 (3) and CE2(40) at 56.7841 46.8084 48.0672 in (null):F-9999 (5) other bump:2.7285 Ang CA(18) at 59.079 47.718 46.905 in (null):H-9999 (3) and CE2(40) at 56.7841 46.8084 48.0672 in (null):F-9999 (5) other bump:2.97235 Ang C(26) at 59.752 46.971 48.06 in (null):H-9999 (3) and CE2(40) at 56.7841 46.8084 48.0672 in (null):F-9999 (5) other bump:2.50993 Ang O(15) at 56.587 48.059 47.92 in (null):P-9999 (2) and CE1(39) at 55.0112 47.1647 49.6569 in (null):F-9999 (5) other bump:2.58675 Ang O(15) at 56.587 48.059 47.92 in (null):P-9999 (2) and CD2(38) at 57.2467 45.7283 48.8278 in (null):F-9999 (5) other bump:2.90003 Ang C(26) at 59.752 46.971 48.06 in (null):H-9999 (3) and CD2(38) at 57.2467 45.7283 48.8278 in (null):F-9999 (5) Number of specific fragments= 1 total=699 # 1fc6A.55.62 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 55 :DPHSFDEVG 1fc6A 139 :PFTRFLEPS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.43857 Ang N(2) at 57.897 51.453 48.498 in (null):D-9999 (1) and CD(14) at 58.7278 50.1352 46.6219 in (null):P-9999 (2) neighbor-bump: 2.33744 Ang OD1(6) at 56.7425 50.8264 45.6 in (null):D-9999 (1) and CD(14) at 58.7278 50.1352 46.6219 in (null):P-9999 (2) self-bump: 1.36849 Ang N(10) at 58.551 49.001 47.367 in (null):P-9999 (2) and CD(14) at 58.7278 50.1352 46.6219 in (null):P-9999 (2) Number of specific fragments= 1 total=700 # 1dowA.55.57 read from T0136.t2k.frag # found chain 1dowA in template set T0136 55 :DPHSFDEVG 1dowA 114 :DPCSSVKRG 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 # 1jc7A.55.56 read from T0136.t2k.frag # found chain 1jc7A in template set T0136 55 :DPHSFDEVG 1jc7A 58 :DGGNKVVIG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62875 Ang CB(12) at 14.1609 3.76449 11.2439 in (null):P-9999 (2) and CD1(37) at 15.8526 2.12454 12.4097 in (null):F-9999 (5) neighbor-bump: 2.69586 Ang C(16) at 14.747 6.165 12.445 in (null):P-9999 (2) and CB(19) at 15.546 8.17153 14.0584 in (null):H-9999 (3) neighbor-bump: 1.78911 Ang CA(3) at 15.35 5.385 8.027 in (null):D-9999 (1) and CD(14) at 14.0479 4.80493 9.10822 in (null):P-9999 (2) neighbor-bump: 2.35124 Ang CB(4) at 15.241 4.086 7.214 in (null):D-9999 (1) and CD(14) at 14.0479 4.80493 9.10822 in (null):P-9999 (2) neighbor-bump: 2.15808 Ang CG(5) at 14.146 3.153 7.723 in (null):D-9999 (1) and CD(14) at 14.0479 4.80493 9.10822 in (null):P-9999 (2) neighbor-bump: 1.89505 Ang OD1(6) at 13.027 3.633 8.024 in (null):D-9999 (1) and CD(14) at 14.0479 4.80493 9.10822 in (null):P-9999 (2) neighbor-bump: 2.26495 Ang O(8) at 16.031 4.503 10.16 in (null):D-9999 (1) and CD(14) at 14.0479 4.80493 9.10822 in (null):P-9999 (2) neighbor-bump: 1.23957 Ang C(9) at 15.172 5.12 9.525 in (null):D-9999 (1) and CD(14) at 14.0479 4.80493 9.10822 in (null):P-9999 (2) self-bump: 1.27231 Ang N(10) at 14.073 5.615 10.089 in (null):P-9999 (2) and CD(14) at 14.0479 4.80493 9.10822 in (null):P-9999 (2) neighbor-bump: 2.71141 Ang OD2(7) at 14.409 1.929 7.809 in (null):D-9999 (1) and CG(13) at 13.6534 3.54293 9.85255 in (null):P-9999 (2) neighbor-bump: 3.09906 Ang CA(3) at 15.35 5.385 8.027 in (null):D-9999 (1) and CG(13) at 13.6534 3.54293 9.85255 in (null):P-9999 (2) neighbor-bump: 3.12685 Ang CB(4) at 15.241 4.086 7.214 in (null):D-9999 (1) and CG(13) at 13.6534 3.54293 9.85255 in (null):P-9999 (2) neighbor-bump: 2.22028 Ang CG(5) at 14.146 3.153 7.723 in (null):D-9999 (1) and CG(13) at 13.6534 3.54293 9.85255 in (null):P-9999 (2) neighbor-bump: 1.93497 Ang OD1(6) at 13.027 3.633 8.024 in (null):D-9999 (1) and CG(13) at 13.6534 3.54293 9.85255 in (null):P-9999 (2) neighbor-bump: 2.2137 Ang C(9) at 15.172 5.12 9.525 in (null):D-9999 (1) and CG(13) at 13.6534 3.54293 9.85255 in (null):P-9999 (2) self-bump: 2.1273 Ang N(10) at 14.073 5.615 10.089 in (null):P-9999 (2) and CG(13) at 13.6534 3.54293 9.85255 in (null):P-9999 (2) neighbor-bump: 2.28422 Ang O(8) at 16.031 4.503 10.16 in (null):D-9999 (1) and CB(12) at 14.1609 3.76449 11.2439 in (null):P-9999 (2) neighbor-bump: 2.41132 Ang C(9) at 15.172 5.12 9.525 in (null):D-9999 (1) and CB(12) at 14.1609 3.76449 11.2439 in (null):P-9999 (2) Number of specific fragments= 1 total=702 # 1fc6A.56.63 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 56 :PHSFDEVGA 1fc6A 140 :FTRFLEPSR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36848 Ang N(2) at 58.551 49.001 47.367 in (null):P-9999 (1) and CD(6) at 58.7278 50.1352 46.6219 in (null):P-9999 (1) Number of specific fragments= 1 total=703 # 1bc5A.56.60 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 56 :PHSFDEVGA 1bc5A 76 :NQNSAEWQA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5629 Ang CB(4) at 57.5388 15.5252 37.3623 in (null):P-9999 (1) and CZ(33) at 58.6853 14.1722 35.512 in (null):F-9999 (4) other bump:2.41614 Ang CG(5) at 56.9898 14.1393 37.233 in (null):P-9999 (1) and CZ(33) at 58.6853 14.1722 35.512 in (null):F-9999 (4) other bump:2.63769 Ang CA(3) at 56.42 16.254 37.787 in (null):P-9999 (1) and CE1(31) at 58.4124 15.2415 36.386 in (null):F-9999 (4) other bump:1.34037 Ang CB(4) at 57.5388 15.5252 37.3623 in (null):P-9999 (1) and CE1(31) at 58.4124 15.2415 36.386 in (null):F-9999 (4) other bump:1.989 Ang CG(5) at 56.9898 14.1393 37.233 in (null):P-9999 (1) and CE1(31) at 58.4124 15.2415 36.386 in (null):F-9999 (4) other bump:2.64536 Ang CA(3) at 56.42 16.254 37.787 in (null):P-9999 (1) and CD1(29) at 58.1828 16.5189 35.8325 in (null):F-9999 (4) other bump:1.93455 Ang CB(4) at 57.5388 15.5252 37.3623 in (null):P-9999 (1) and CD1(29) at 58.1828 16.5189 35.8325 in (null):F-9999 (4) other bump:2.61873 Ang O(7) at 56.249 18.196 36.385 in (null):P-9999 (1) and CD1(29) at 58.1828 16.5189 35.8325 in (null):F-9999 (4) neighbor-bump: 2.10281 Ang C(1) at 54.874 14.638 38.713 in (null):G-9999 (0) and CD(6) at 55.5858 14.3751 36.7518 in (null):P-9999 (1) neighbor-bump: 2.62978 Ang C(1) at 54.874 14.638 38.713 in (null):G-9999 (0) and CG(5) at 56.9898 14.1393 37.233 in (null):P-9999 (1) Number of specific fragments= 1 total=704 # 3icb.56.59 read from T0136.t2k.frag # adding 3icb to template set 3icb:# found chain 3icb in template set T0136 56 :PHSFDEVGA 3icb 60 :EVSFEEFQV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2628 Ang CD2(13) at 18.7499 10.5715 5.39976 in (null):H-9999 (2) and CG2(57) at 17.4744 11.0531 3.59386 in (null):V-9999 (7) other bump:2.6737 Ang NE2(16) at 18.0833 9.39092 5.5976 in (null):H-9999 (2) and CG2(57) at 17.4744 11.0531 3.59386 in (null):V-9999 (7) other bump:2.42875 Ang NE2(16) at 18.0833 9.39092 5.5976 in (null):H-9999 (2) and CA(54) at 16.786 8.619 3.695 in (null):V-9999 (7) other bump:2.48063 Ang NE2(16) at 18.0833 9.39092 5.5976 in (null):H-9999 (2) and N(53) at 18.144 8.144 3.454 in (null):V-9999 (7) Number of specific fragments= 1 total=705 # 1ig5A.56.59 read from T0136.t2k.frag # found chain 1ig5A in training set T0136 56 :PHSFDEVGA 1ig5A 60 :EVSFEEFQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=706 # 1a8o.56.56 read from T0136.t2k.frag # found chain 1a8o in template set T0136 56 :PHSFDEVGA 1a8o 207 :PGATLEEMM Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13885 Ang CE2(32) at 19.9872 30.9075 6.15257 in (null):F-9999 (4) and OE2(50) at 21.955 31.483 6.762 in (null):E-9999 (6) other bump:2.69279 Ang CZ(33) at 20.1152 29.5465 6.42063 in (null):F-9999 (4) and OE2(50) at 21.955 31.483 6.762 in (null):E-9999 (6) other bump:2.33713 Ang CG(28) at 17.5837 30.706 6.19842 in (null):F-9999 (4) and OE1(49) at 19.902 30.999 6.155 in (null):E-9999 (6) other bump:2.4563 Ang CE1(31) at 18.9771 28.7623 6.57335 in (null):F-9999 (4) and OE1(49) at 19.902 30.999 6.155 in (null):E-9999 (6) other bump:2.75742 Ang CD1(29) at 17.7156 29.3467 6.45953 in (null):F-9999 (4) and OE1(49) at 19.902 30.999 6.155 in (null):E-9999 (6) other bump:1.27062 Ang CD2(30) at 18.7291 31.4748 6.04332 in (null):F-9999 (4) and OE1(49) at 19.902 30.999 6.155 in (null):E-9999 (6) other bump:0.125074 Ang CE2(32) at 19.9872 30.9075 6.15257 in (null):F-9999 (4) and OE1(49) at 19.902 30.999 6.155 in (null):E-9999 (6) other bump:1.49186 Ang CZ(33) at 20.1152 29.5465 6.42063 in (null):F-9999 (4) and OE1(49) at 19.902 30.999 6.155 in (null):E-9999 (6) other bump:2.23329 Ang CD2(30) at 18.7291 31.4748 6.04332 in (null):F-9999 (4) and CD(48) at 20.954 31.668 6.033 in (null):E-9999 (6) other bump:1.23583 Ang CE2(32) at 19.9872 30.9075 6.15257 in (null):F-9999 (4) and CD(48) at 20.954 31.668 6.033 in (null):E-9999 (6) other bump:2.31394 Ang CZ(33) at 20.1152 29.5465 6.42063 in (null):F-9999 (4) and CD(48) at 20.954 31.668 6.033 in (null):E-9999 (6) other bump:2.85214 Ang CD2(30) at 18.7291 31.4748 6.04332 in (null):F-9999 (4) and CG(47) at 21.035 32.751 4.953 in (null):E-9999 (6) other bump:2.43624 Ang CE2(32) at 19.9872 30.9075 6.15257 in (null):F-9999 (4) and CG(47) at 21.035 32.751 4.953 in (null):E-9999 (6) other bump:2.68059 Ang CD2(30) at 18.7291 31.4748 6.04332 in (null):F-9999 (4) and CB(46) at 19.784 33.638 4.863 in (null):E-9999 (6) other bump:3.02654 Ang CE2(32) at 19.9872 30.9075 6.15257 in (null):F-9999 (4) and CB(46) at 19.784 33.638 4.863 in (null):E-9999 (6) other bump:3.11448 Ang CD2(30) at 18.7291 31.4748 6.04332 in (null):F-9999 (4) and CA(45) at 19.51 34.489 6.111 in (null):E-9999 (6) other bump:2.49253 Ang CD2(30) at 18.7291 31.4748 6.04332 in (null):F-9999 (4) and N(44) at 19.082 33.643 7.221 in (null):E-9999 (6) other bump:3.0731 Ang CE2(32) at 19.9872 30.9075 6.15257 in (null):F-9999 (4) and N(44) at 19.082 33.643 7.221 in (null):E-9999 (6) self-bump: 2.34146 Ang CA(37) at 18.426 33.111 9.499 in (null):D-9999 (5) and OD1(40) at 19.1184 34.3989 11.3277 in (null):D-9999 (5) neighbor-bump: 2.25091 Ang O(7) at 7.68 30.812 8.017 in (null):P-9999 (1) and CB(11) at 8.57173 28.7961 7.56135 in (null):H-9999 (2) neighbor-bump: 2.48027 Ang C(8) at 7.912 30.54 9.197 in (null):P-9999 (1) and CB(11) at 8.57173 28.7961 7.56135 in (null):H-9999 (2) Number of specific fragments= 1 total=707 # 1fo3A.56.61 read from T0136.t2k.frag # adding 1fo3A to template set 1fo3A:# found chain 1fo3A in template set T0136 56 :PHSFDEVGA 1fo3A 301 :LGLRKEFEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.09617 Ang C(1) at 48.684 25.201 18.035 in (null):G-9999 (0) and CD(6) at 48.9631 27.0894 18.9011 in (null):P-9999 (1) self-bump: 1.3183 Ang N(2) at 49.522 26.236 18.066 in (null):P-9999 (1) and CD(6) at 48.9631 27.0894 18.9011 in (null):P-9999 (1) self-bump: 2.18158 Ang N(2) at 49.522 26.236 18.066 in (null):P-9999 (1) and CG(5) at 49.3161 28.4019 18.2266 in (null):P-9999 (1) Number of specific fragments= 1 total=708 # 1fc6A.57.64 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 57 :HSFDEVGAF 1fc6A 141 :TRFLEPSRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=709 # 1bc5A.57.61 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 57 :HSFDEVGAF 1bc5A 77 :QNSAEWQAF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61873 Ang O(0) at 56.249 18.196 36.385 in (null):G-9999 (0) and CD1(22) at 58.1828 16.5189 35.8325 in (null):F-9999 (3) Number of specific fragments= 1 total=710 # 3icb.57.60 read from T0136.t2k.frag # found chain 3icb in template set T0136 57 :HSFDEVGAF 3icb 61 :VSFEEFQVL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65083 Ang CE1(8) at 18.5231 9.13329 5.09098 in (null):H-9999 (1) and CG2(50) at 17.4744 11.0531 3.59386 in (null):V-9999 (6) other bump:1.95863 Ang CD2(6) at 18.3952 11.3163 5.30239 in (null):H-9999 (1) and CG2(50) at 17.4744 11.0531 3.59386 in (null):V-9999 (6) other bump:1.5099 Ang NE2(9) at 17.7948 10.191 4.7913 in (null):H-9999 (1) and CG2(50) at 17.4744 11.0531 3.59386 in (null):V-9999 (6) other bump:3.23281 Ang NE2(9) at 17.7948 10.191 4.7913 in (null):H-9999 (1) and CG1(49) at 15.1481 10.4011 2.94691 in (null):V-9999 (6) other bump:2.22069 Ang NE2(9) at 17.7948 10.191 4.7913 in (null):H-9999 (1) and CB(48) at 16.6048 9.97572 2.92873 in (null):V-9999 (6) other bump:2.28709 Ang CE1(8) at 18.5231 9.13329 5.09098 in (null):H-9999 (1) and CA(47) at 16.786 8.619 3.695 in (null):V-9999 (6) other bump:2.16577 Ang NE2(9) at 17.7948 10.191 4.7913 in (null):H-9999 (1) and CA(47) at 16.786 8.619 3.695 in (null):V-9999 (6) other bump:1.9499 Ang CE1(8) at 18.5231 9.13329 5.09098 in (null):H-9999 (1) and N(46) at 18.144 8.144 3.454 in (null):V-9999 (6) other bump:2.46989 Ang NE2(9) at 17.7948 10.191 4.7913 in (null):H-9999 (1) and N(46) at 18.144 8.144 3.454 in (null):V-9999 (6) other bump:2.37737 Ang CE1(8) at 18.5231 9.13329 5.09098 in (null):H-9999 (1) and C(45) at 18.673 7.053 3.95 in (null):E-9999 (5) other bump:2.79301 Ang ND1(7) at 19.5729 9.53451 5.7772 in (null):H-9999 (1) and CB(39) at 21.04 7.565 4.447 in (null):E-9999 (5) Number of specific fragments= 1 total=711 # 1ig5A.57.60 read from T0136.t2k.frag # found chain 1ig5A in training set T0136 57 :HSFDEVGAF 1ig5A 61 :VSFEEFQVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=712 # 3cln.57.62 read from T0136.t2k.frag # adding 3cln to template set 3cln:# found chain 3cln in template set T0136 57 :HSFDEVGAF 3cln 63 :IDFPEFLTM Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70422 Ang CG(5) at -14.168 46.6259 24.4116 in (null):H-9999 (1) and CG2(50) at -13.9888 44.5789 26.1696 in (null):V-9999 (6) other bump:1.44689 Ang CD2(6) at -13.9579 45.8668 25.511 in (null):H-9999 (1) and CG2(50) at -13.9888 44.5789 26.1696 in (null):V-9999 (6) other bump:2.37348 Ang CE1(8) at -15.0513 44.6456 24.0483 in (null):H-9999 (1) and CG2(50) at -13.9888 44.5789 26.1696 in (null):V-9999 (6) other bump:1.05922 Ang NE2(9) at -14.5197 44.6393 25.2551 in (null):H-9999 (1) and CG2(50) at -13.9888 44.5789 26.1696 in (null):V-9999 (6) other bump:3.11639 Ang NE2(9) at -14.5197 44.6393 25.2551 in (null):H-9999 (1) and CG1(49) at -13.4481 42.2754 26.98 in (null):V-9999 (6) other bump:2.89034 Ang CD2(6) at -13.9579 45.8668 25.511 in (null):H-9999 (1) and CB(48) at -14.4847 43.1288 26.2724 in (null):V-9999 (6) other bump:2.75109 Ang CE1(8) at -15.0513 44.6456 24.0483 in (null):H-9999 (1) and CB(48) at -14.4847 43.1288 26.2724 in (null):V-9999 (6) other bump:1.82147 Ang NE2(9) at -14.5197 44.6393 25.2551 in (null):H-9999 (1) and CB(48) at -14.4847 43.1288 26.2724 in (null):V-9999 (6) other bump:2.23404 Ang CE1(8) at -15.0513 44.6456 24.0483 in (null):H-9999 (1) and CA(47) at -14.777 42.604 24.913 in (null):V-9999 (6) other bump:2.07978 Ang NE2(9) at -14.5197 44.6393 25.2551 in (null):H-9999 (1) and CA(47) at -14.777 42.604 24.913 in (null):V-9999 (6) other bump:1.63425 Ang CE1(8) at -15.0513 44.6456 24.0483 in (null):H-9999 (1) and N(46) at -15.9 43.257 24.198 in (null):V-9999 (6) other bump:2.22107 Ang NE2(9) at -14.5197 44.6393 25.2551 in (null):H-9999 (1) and N(46) at -15.9 43.257 24.198 in (null):V-9999 (6) other bump:2.35236 Ang CE1(8) at -15.0513 44.6456 24.0483 in (null):H-9999 (1) and C(45) at -16.343 42.973 23.015 in (null):E-9999 (5) other bump:2.78611 Ang ND1(7) at -14.8535 45.8332 23.515 in (null):H-9999 (1) and CB(39) at -17.173 45.128 22.142 in (null):E-9999 (5) other bump:2.89279 Ang CE1(8) at -15.0513 44.6456 24.0483 in (null):H-9999 (1) and CB(39) at -17.173 45.128 22.142 in (null):E-9999 (5) Number of specific fragments= 1 total=713 # 1a8o.57.57 read from T0136.t2k.frag # found chain 1a8o in template set T0136 57 :HSFDEVGAF 1a8o 208 :GATLEEMMT Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69279 Ang CZ(26) at 20.1152 29.5465 6.42063 in (null):F-9999 (3) and OE2(43) at 21.955 31.483 6.762 in (null):E-9999 (5) other bump:2.13885 Ang CE2(25) at 19.9872 30.9075 6.15257 in (null):F-9999 (3) and OE2(43) at 21.955 31.483 6.762 in (null):E-9999 (5) other bump:2.75742 Ang CD1(22) at 17.7156 29.3467 6.45953 in (null):F-9999 (3) and OE1(42) at 19.902 30.999 6.155 in (null):E-9999 (5) other bump:2.33713 Ang CG(21) at 17.5837 30.706 6.19842 in (null):F-9999 (3) and OE1(42) at 19.902 30.999 6.155 in (null):E-9999 (5) other bump:2.4563 Ang CE1(24) at 18.9771 28.7623 6.57335 in (null):F-9999 (3) and OE1(42) at 19.902 30.999 6.155 in (null):E-9999 (5) other bump:1.49186 Ang CZ(26) at 20.1152 29.5465 6.42063 in (null):F-9999 (3) and OE1(42) at 19.902 30.999 6.155 in (null):E-9999 (5) other bump:1.27062 Ang CD2(23) at 18.7291 31.4748 6.04332 in (null):F-9999 (3) and OE1(42) at 19.902 30.999 6.155 in (null):E-9999 (5) other bump:0.125074 Ang CE2(25) at 19.9872 30.9075 6.15257 in (null):F-9999 (3) and OE1(42) at 19.902 30.999 6.155 in (null):E-9999 (5) other bump:2.31394 Ang CZ(26) at 20.1152 29.5465 6.42063 in (null):F-9999 (3) and CD(41) at 20.954 31.668 6.033 in (null):E-9999 (5) other bump:2.23329 Ang CD2(23) at 18.7291 31.4748 6.04332 in (null):F-9999 (3) and CD(41) at 20.954 31.668 6.033 in (null):E-9999 (5) other bump:1.23583 Ang CE2(25) at 19.9872 30.9075 6.15257 in (null):F-9999 (3) and CD(41) at 20.954 31.668 6.033 in (null):E-9999 (5) other bump:2.85214 Ang CD2(23) at 18.7291 31.4748 6.04332 in (null):F-9999 (3) and CG(40) at 21.035 32.751 4.953 in (null):E-9999 (5) other bump:2.43624 Ang CE2(25) at 19.9872 30.9075 6.15257 in (null):F-9999 (3) and CG(40) at 21.035 32.751 4.953 in (null):E-9999 (5) other bump:2.68059 Ang CD2(23) at 18.7291 31.4748 6.04332 in (null):F-9999 (3) and CB(39) at 19.784 33.638 4.863 in (null):E-9999 (5) other bump:3.02654 Ang CE2(25) at 19.9872 30.9075 6.15257 in (null):F-9999 (3) and CB(39) at 19.784 33.638 4.863 in (null):E-9999 (5) other bump:3.11448 Ang CD2(23) at 18.7291 31.4748 6.04332 in (null):F-9999 (3) and CA(38) at 19.51 34.489 6.111 in (null):E-9999 (5) other bump:2.49253 Ang CD2(23) at 18.7291 31.4748 6.04332 in (null):F-9999 (3) and N(37) at 19.082 33.643 7.221 in (null):E-9999 (5) other bump:3.0731 Ang CE2(25) at 19.9872 30.9075 6.15257 in (null):F-9999 (3) and N(37) at 19.082 33.643 7.221 in (null):E-9999 (5) self-bump: 2.34146 Ang CA(30) at 18.426 33.111 9.499 in (null):D-9999 (4) and OD1(33) at 19.1184 34.3989 11.3277 in (null):D-9999 (4) Number of specific fragments= 1 total=714 # 1fc6A.58.65 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 58 :SFDEVGAFR 1fc6A 142 :RFLEPSRLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=715 # 1bc5A.58.62 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 58 :SFDEVGAFR 1bc5A 78 :NSAEWQAFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=716 # 1ig5A.58.61 read from T0136.t2k.frag # found chain 1ig5A in training set T0136 58 :SFDEVGAFR 1ig5A 62 :SFEEFQVLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50411 Ang CG1(39) at 6.55177 9.81634 24.593 in (null):V-9999 (5) and NH1(70) at 7.03139 8.47184 26.6504 in (null):R-9999 (9) other bump:3.01108 Ang CG1(39) at 6.55177 9.81634 24.593 in (null):V-9999 (5) and CZ(69) at 6.66809 7.27238 26.1997 in (null):R-9999 (9) Number of specific fragments= 1 total=717 # 3icb.58.61 read from T0136.t2k.frag # found chain 3icb in template set T0136 58 :SFDEVGAFR 3icb 62 :SFEEFQVLV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16709 Ang CE1(14) at 15.03 11.237 -1.259 in (null):F-9999 (2) and NH2(71) at 13.7113 9.58068 -1.72142 in (null):R-9999 (9) other bump:2.57117 Ang CE2(15) at 15.671 10.012 -3.329 in (null):F-9999 (2) and NH2(71) at 13.7113 9.58068 -1.72142 in (null):R-9999 (9) other bump:1.53321 Ang CZ(16) at 14.708 10.51 -2.424 in (null):F-9999 (2) and NH2(71) at 13.7113 9.58068 -1.72142 in (null):R-9999 (9) other bump:2.80632 Ang CZ(16) at 14.708 10.51 -2.424 in (null):F-9999 (2) and CZ(69) at 12.6678 8.75571 -1.62682 in (null):R-9999 (9) Number of specific fragments= 1 total=718 # 3cln.58.63 read from T0136.t2k.frag # found chain 3cln in template set T0136 58 :SFDEVGAFR 3cln 64 :DFPEFLTMM Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4779 Ang CG1(39) at -13.4481 42.2754 26.98 in (null):V-9999 (5) and NH2(71) at -12.0119 42.6641 28.9615 in (null):R-9999 (9) other bump:2.91571 Ang CG1(39) at -13.4481 42.2754 26.98 in (null):V-9999 (5) and NH1(70) at -13.4216 40.9396 29.5716 in (null):R-9999 (9) other bump:2.19639 Ang CG1(39) at -13.4481 42.2754 26.98 in (null):V-9999 (5) and CZ(69) at -12.4724 41.4344 28.759 in (null):R-9999 (9) other bump:2.32445 Ang CG1(39) at -13.4481 42.2754 26.98 in (null):V-9999 (5) and NE(68) at -11.9545 40.6931 27.7977 in (null):R-9999 (9) other bump:3.13437 Ang CG1(39) at -13.4481 42.2754 26.98 in (null):V-9999 (5) and CD(67) at -12.4684 39.3475 27.5206 in (null):R-9999 (9) Number of specific fragments= 1 total=719 # 1jlvA.58.60 read from T0136.t2k.frag # adding 1jlvA to template set 1jlvA:# found chain 1jlvA in template set T0136 58 :SFDEVGAFR 1jlvA 61 :ALWESRAIC Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11655 Ang CA(20) at 80.001 20.159 2.766 in (null):D-9999 (3) and CZ(60) at 81.5181 20.0962 1.29147 in (null):F-9999 (8) other bump:2.93357 Ang C(26) at 78.93 21.115 2.224 in (null):D-9999 (3) and CZ(60) at 81.5181 20.0962 1.29147 in (null):F-9999 (8) other bump:1.83233 Ang O(17) at 82.749 19.951 2.641 in (null):F-9999 (2) and CZ(60) at 81.5181 20.0962 1.29147 in (null):F-9999 (8) other bump:2.35098 Ang C(18) at 82.257 20.761 3.422 in (null):F-9999 (2) and CZ(60) at 81.5181 20.0962 1.29147 in (null):F-9999 (8) other bump:2.49995 Ang N(19) at 80.944 20.9 3.588 in (null):D-9999 (3) and CZ(60) at 81.5181 20.0962 1.29147 in (null):F-9999 (8) other bump:2.58815 Ang CA(20) at 80.001 20.159 2.766 in (null):D-9999 (3) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:3.10894 Ang C(26) at 78.93 21.115 2.224 in (null):D-9999 (3) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:1.93143 Ang O(17) at 82.749 19.951 2.641 in (null):F-9999 (2) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:1.93492 Ang C(18) at 82.257 20.761 3.422 in (null):F-9999 (2) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:2.27539 Ang N(19) at 80.944 20.9 3.588 in (null):D-9999 (3) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:2.92125 Ang CA(9) at 83.15 21.655 4.272 in (null):F-9999 (2) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:2.84177 Ang CB(10) at 83.6694 22.8256 3.37781 in (null):F-9999 (2) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:2.58551 Ang CG(11) at 82.5849 23.6425 2.71877 in (null):F-9999 (2) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:2.0173 Ang CD2(13) at 82.1938 23.3818 1.40953 in (null):F-9999 (2) and CE2(59) at 81.9664 21.3879 1.61466 in (null):F-9999 (8) other bump:2.60087 Ang CG(11) at 82.5849 23.6425 2.71877 in (null):F-9999 (2) and CD2(57) at 82.2333 22.2951 0.522103 in (null):F-9999 (8) other bump:1.40359 Ang CD2(13) at 82.1938 23.3818 1.40953 in (null):F-9999 (2) and CD2(57) at 82.2333 22.2951 0.522103 in (null):F-9999 (8) other bump:2.13856 Ang CE2(15) at 81.2241 24.1627 0.780841 in (null):F-9999 (2) and CD2(57) at 82.2333 22.2951 0.522103 in (null):F-9999 (8) other bump:2.66422 Ang CD2(13) at 82.1938 23.3818 1.40953 in (null):F-9999 (2) and CG(55) at 82.0525 21.8955 -0.797041 in (null):F-9999 (8) other bump:2.88379 Ang CE2(15) at 81.2241 24.1627 0.780841 in (null):F-9999 (2) and CG(55) at 82.0525 21.8955 -0.797041 in (null):F-9999 (8) other bump:2.63015 Ang CE2(15) at 81.2241 24.1627 0.780841 in (null):F-9999 (2) and CA(53) at 82.107 24.278 -1.694 in (null):F-9999 (8) other bump:2.8581 Ang CZ(16) at 80.6232 25.21 1.46071 in (null):F-9999 (2) and N(52) at 80.743 24.663 -1.342 in (null):F-9999 (8) other bump:2.23343 Ang CE2(15) at 81.2241 24.1627 0.780841 in (null):F-9999 (2) and N(52) at 80.743 24.663 -1.342 in (null):F-9999 (8) other bump:2.50338 Ang CZ(16) at 80.6232 25.21 1.46071 in (null):F-9999 (2) and C(51) at 80.48 25.905 -0.94 in (null):A-9999 (7) other bump:2.55941 Ang CE2(15) at 81.2241 24.1627 0.780841 in (null):F-9999 (2) and C(51) at 80.48 25.905 -0.94 in (null):A-9999 (7) other bump:2.15534 Ang CZ(16) at 80.6232 25.21 1.46071 in (null):F-9999 (2) and CB(49) at 78.679 25.866 0.801 in (null):A-9999 (7) other bump:3.06252 Ang CE2(15) at 81.2241 24.1627 0.780841 in (null):F-9999 (2) and CB(49) at 78.679 25.866 0.801 in (null):A-9999 (7) other bump:2.83228 Ang CZ(16) at 80.6232 25.21 1.46071 in (null):F-9999 (2) and CA(48) at 79.014 26.232 -0.634 in (null):A-9999 (7) neighbor-bump: 2.61419 Ang OD1(23) at 77.1356 19.5243 2.57257 in (null):D-9999 (3) and CA(28) at 76.999 21.333 0.69 in (null):E-9999 (4) neighbor-bump: 1.80927 Ang OD1(23) at 77.1356 19.5243 2.57257 in (null):D-9999 (3) and N(27) at 78.029 20.58 1.406 in (null):E-9999 (4) self-bump: 2.42313 Ang OD1(23) at 77.1356 19.5243 2.57257 in (null):D-9999 (3) and C(26) at 78.93 21.115 2.224 in (null):D-9999 (3) Number of specific fragments= 1 total=720 # 1fc6A.59.66 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 59 :FDEVGAFRK 1fc6A 143 :FLEPSRLAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=721 # 1bc5A.59.63 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 59 :FDEVGAFRK 1bc5A 79 :SAEWQAFIN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35458 Ang CD2(7) at 57.8414 17.6066 31.3975 in (null):F-9999 (1) and CB(23) at 56.971 18.431 29.371 in (null):E-9999 (3) other bump:2.24701 Ang CE2(9) at 58.3059 16.8866 30.3101 in (null):F-9999 (1) and CB(23) at 56.971 18.431 29.371 in (null):E-9999 (3) other bump:3.10653 Ang CD2(7) at 57.8414 17.6066 31.3975 in (null):F-9999 (1) and CA(22) at 57.391 19.899 29.35 in (null):E-9999 (3) other bump:2.77961 Ang CD2(7) at 57.8414 17.6066 31.3975 in (null):F-9999 (1) and N(21) at 58.491 20.06 30.264 in (null):E-9999 (3) Number of specific fragments= 1 total=722 # 1ig5A.59.62 read from T0136.t2k.frag # found chain 1ig5A in training set T0136 59 :FDEVGAFRK 1ig5A 63 :FEEFQVLVK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50411 Ang CG1(33) at 6.55177 9.81634 24.593 in (null):V-9999 (4) and NH1(64) at 7.03139 8.47184 26.6504 in (null):R-9999 (8) other bump:3.01108 Ang CG1(33) at 6.55177 9.81634 24.593 in (null):V-9999 (4) and CZ(63) at 6.66809 7.27238 26.1997 in (null):R-9999 (8) Number of specific fragments= 1 total=723 # 3icb.59.62 read from T0136.t2k.frag # found chain 3icb in template set T0136 59 :FDEVGAFRK 3icb 63 :FEEFQVLVK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36344 Ang CA(38) at 15.191 5.837 1.615 in (null):G-9999 (5) and NH2(65) at 15.8037 7.3338 -0.108395 in (null):R-9999 (8) other bump:2.35161 Ang N(37) at 16.128 6.855 2.171 in (null):G-9999 (5) and NH2(65) at 15.8037 7.3338 -0.108395 in (null):R-9999 (8) other bump:2.65925 Ang CE1(8) at 15.03 11.237 -1.259 in (null):F-9999 (1) and NH1(64) at 14.3369 9.07876 0.131384 in (null):R-9999 (8) other bump:3.21461 Ang CG1(33) at 15.1481 10.4011 2.94691 in (null):V-9999 (4) and NH1(64) at 14.3369 9.07876 0.131384 in (null):R-9999 (8) other bump:2.69814 Ang CA(38) at 15.191 5.837 1.615 in (null):G-9999 (5) and CZ(63) at 14.5594 7.79671 -0.128708 in (null):R-9999 (8) other bump:2.93873 Ang N(37) at 16.128 6.855 2.171 in (null):G-9999 (5) and CZ(63) at 14.5594 7.79671 -0.128708 in (null):R-9999 (8) other bump:2.83987 Ang CA(38) at 15.191 5.837 1.615 in (null):G-9999 (5) and NE(62) at 13.5455 6.97866 -0.398396 in (null):R-9999 (8) Number of specific fragments= 1 total=724 # 3cln.59.64 read from T0136.t2k.frag # found chain 3cln in template set T0136 59 :FDEVGAFRK 3cln 65 :FPEFLTMMA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47791 Ang CG1(33) at -13.4481 42.2754 26.98 in (null):V-9999 (4) and NH2(65) at -12.0119 42.6641 28.9615 in (null):R-9999 (8) other bump:2.91571 Ang CG1(33) at -13.4481 42.2754 26.98 in (null):V-9999 (4) and NH1(64) at -13.4216 40.9396 29.5716 in (null):R-9999 (8) other bump:2.1964 Ang CG1(33) at -13.4481 42.2754 26.98 in (null):V-9999 (4) and CZ(63) at -12.4724 41.4344 28.759 in (null):R-9999 (8) other bump:2.32447 Ang CG1(33) at -13.4481 42.2754 26.98 in (null):V-9999 (4) and NE(62) at -11.9545 40.6931 27.7977 in (null):R-9999 (8) other bump:3.13437 Ang CG1(33) at -13.4481 42.2754 26.98 in (null):V-9999 (4) and CD(61) at -12.4684 39.3476 27.5206 in (null):R-9999 (8) Number of specific fragments= 1 total=725 # 1jlvA.59.61 read from T0136.t2k.frag # found chain 1jlvA in template set T0136 59 :FDEVGAFRK 1jlvA 62 :LWESRAICT Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11655 Ang CA(14) at 80.001 20.159 2.766 in (null):D-9999 (2) and CZ(54) at 81.5181 20.0962 1.29147 in (null):F-9999 (7) other bump:2.93357 Ang C(20) at 78.93 21.115 2.224 in (null):D-9999 (2) and CZ(54) at 81.5181 20.0962 1.29147 in (null):F-9999 (7) other bump:2.49995 Ang N(13) at 80.944 20.9 3.588 in (null):D-9999 (2) and CZ(54) at 81.5181 20.0962 1.29147 in (null):F-9999 (7) other bump:1.83233 Ang O(11) at 82.749 19.951 2.641 in (null):F-9999 (1) and CZ(54) at 81.5181 20.0962 1.29147 in (null):F-9999 (7) other bump:2.35098 Ang C(12) at 82.257 20.761 3.422 in (null):F-9999 (1) and CZ(54) at 81.5181 20.0962 1.29147 in (null):F-9999 (7) other bump:2.58815 Ang CA(14) at 80.001 20.159 2.766 in (null):D-9999 (2) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:3.10894 Ang C(20) at 78.93 21.115 2.224 in (null):D-9999 (2) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:2.27539 Ang N(13) at 80.944 20.9 3.588 in (null):D-9999 (2) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:1.93143 Ang O(11) at 82.749 19.951 2.641 in (null):F-9999 (1) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:2.92125 Ang CA(3) at 83.15 21.655 4.272 in (null):F-9999 (1) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:1.93492 Ang C(12) at 82.257 20.761 3.422 in (null):F-9999 (1) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:2.58551 Ang CG(5) at 82.5849 23.6425 2.71877 in (null):F-9999 (1) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:2.0173 Ang CD2(7) at 82.1938 23.3818 1.40953 in (null):F-9999 (1) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:2.84176 Ang CB(4) at 83.6693 22.8256 3.37781 in (null):F-9999 (1) and CE2(53) at 81.9664 21.3879 1.61466 in (null):F-9999 (7) other bump:2.60087 Ang CG(5) at 82.5849 23.6425 2.71877 in (null):F-9999 (1) and CD2(51) at 82.2333 22.2951 0.522103 in (null):F-9999 (7) other bump:1.40359 Ang CD2(7) at 82.1938 23.3818 1.40953 in (null):F-9999 (1) and CD2(51) at 82.2333 22.2951 0.522103 in (null):F-9999 (7) other bump:2.13856 Ang CE2(9) at 81.2241 24.1627 0.780841 in (null):F-9999 (1) and CD2(51) at 82.2333 22.2951 0.522103 in (null):F-9999 (7) other bump:2.66422 Ang CD2(7) at 82.1938 23.3818 1.40953 in (null):F-9999 (1) and CG(49) at 82.0525 21.8955 -0.797041 in (null):F-9999 (7) other bump:2.88379 Ang CE2(9) at 81.2241 24.1627 0.780841 in (null):F-9999 (1) and CG(49) at 82.0525 21.8955 -0.797041 in (null):F-9999 (7) other bump:2.63016 Ang CE2(9) at 81.2241 24.1627 0.780841 in (null):F-9999 (1) and CA(47) at 82.107 24.278 -1.694 in (null):F-9999 (7) other bump:2.8581 Ang CZ(10) at 80.6232 25.21 1.46071 in (null):F-9999 (1) and N(46) at 80.743 24.663 -1.342 in (null):F-9999 (7) other bump:2.23343 Ang CE2(9) at 81.2241 24.1627 0.780841 in (null):F-9999 (1) and N(46) at 80.743 24.663 -1.342 in (null):F-9999 (7) other bump:2.50338 Ang CZ(10) at 80.6232 25.21 1.46071 in (null):F-9999 (1) and C(45) at 80.48 25.905 -0.94 in (null):A-9999 (6) other bump:2.55941 Ang CE2(9) at 81.2241 24.1627 0.780841 in (null):F-9999 (1) and C(45) at 80.48 25.905 -0.94 in (null):A-9999 (6) other bump:2.15533 Ang CZ(10) at 80.6232 25.21 1.46071 in (null):F-9999 (1) and CB(43) at 78.679 25.866 0.801 in (null):A-9999 (6) other bump:3.06252 Ang CE2(9) at 81.2241 24.1627 0.780841 in (null):F-9999 (1) and CB(43) at 78.679 25.866 0.801 in (null):A-9999 (6) other bump:2.83228 Ang CZ(10) at 80.6232 25.21 1.46071 in (null):F-9999 (1) and CA(42) at 79.014 26.232 -0.634 in (null):A-9999 (6) neighbor-bump: 2.61419 Ang OD1(17) at 77.1356 19.5243 2.57257 in (null):D-9999 (2) and CA(22) at 76.999 21.333 0.69 in (null):E-9999 (3) neighbor-bump: 1.80927 Ang OD1(17) at 77.1356 19.5243 2.57257 in (null):D-9999 (2) and N(21) at 78.029 20.58 1.406 in (null):E-9999 (3) self-bump: 2.42313 Ang OD1(17) at 77.1356 19.5243 2.57257 in (null):D-9999 (2) and C(20) at 78.93 21.115 2.224 in (null):D-9999 (2) Number of specific fragments= 1 total=726 # 1fc6A.60.67 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 60 :DEVGAFRKH 1fc6A 144 :LEPSRLAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=727 # 1bc5A.60.64 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 60 :DEVGAFRKH 1bc5A 80 :AEWQAFINA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10777 Ang O(33) at 53.912 23.362 24.918 in (null):A-9999 (5) and CD2(70) at 53.8398 22.7004 22.9181 in (null):H-9999 (9) Number of specific fragments= 1 total=728 # 3cln.60.65 read from T0136.t2k.frag # found chain 3cln in template set T0136 60 :DEVGAFRKH 3cln 66 :PEFLTMMAR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47791 Ang CG1(22) at -13.4481 42.2754 26.98 in (null):V-9999 (3) and NH2(54) at -12.0119 42.6641 28.9615 in (null):R-9999 (7) other bump:2.91571 Ang CG1(22) at -13.4481 42.2754 26.98 in (null):V-9999 (3) and NH1(53) at -13.4216 40.9396 29.5716 in (null):R-9999 (7) other bump:2.1964 Ang CG1(22) at -13.4481 42.2754 26.98 in (null):V-9999 (3) and CZ(52) at -12.4724 41.4344 28.759 in (null):R-9999 (7) other bump:2.32447 Ang CG1(22) at -13.4481 42.2754 26.98 in (null):V-9999 (3) and NE(51) at -11.9545 40.6931 27.7977 in (null):R-9999 (7) other bump:3.13437 Ang CG1(22) at -13.4481 42.2754 26.98 in (null):V-9999 (3) and CD(50) at -12.4684 39.3476 27.5206 in (null):R-9999 (7) Number of specific fragments= 1 total=729 # 3icb.60.63 read from T0136.t2k.frag # found chain 3icb in template set T0136 60 :DEVGAFRKH 3icb 64 :EEFQVLVKK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39176 Ang CA(67) at 6.896 4.744 6.716 in (null):H-9999 (9) and CB(68) at 7.27256 4.92536 8.04352 in (null):H-9999 (9) other bump:2.36344 Ang CA(27) at 15.191 5.837 1.615 in (null):G-9999 (4) and NH2(54) at 15.8037 7.3338 -0.108395 in (null):R-9999 (7) other bump:2.35161 Ang N(26) at 16.128 6.855 2.171 in (null):G-9999 (4) and NH2(54) at 15.8037 7.3338 -0.108395 in (null):R-9999 (7) other bump:3.21461 Ang CG1(22) at 15.1481 10.4011 2.94691 in (null):V-9999 (3) and NH1(53) at 14.3369 9.07876 0.131384 in (null):R-9999 (7) other bump:2.69814 Ang CA(27) at 15.191 5.837 1.615 in (null):G-9999 (4) and CZ(52) at 14.5594 7.79671 -0.128708 in (null):R-9999 (7) other bump:2.93873 Ang N(26) at 16.128 6.855 2.171 in (null):G-9999 (4) and CZ(52) at 14.5594 7.79671 -0.128708 in (null):R-9999 (7) other bump:2.83987 Ang CA(27) at 15.191 5.837 1.615 in (null):G-9999 (4) and NE(51) at 13.5455 6.97866 -0.398396 in (null):R-9999 (7) Number of specific fragments= 1 total=730 # 1ig5A.60.63 read from T0136.t2k.frag # found chain 1ig5A in training set T0136 60 :DEVGAFRKH 1ig5A 64 :EEFQVLVKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50411 Ang CG1(22) at 6.55177 9.81634 24.593 in (null):V-9999 (3) and NH1(53) at 7.03139 8.47184 26.6504 in (null):R-9999 (7) other bump:3.01108 Ang CG1(22) at 6.55177 9.81634 24.593 in (null):V-9999 (3) and CZ(52) at 6.66809 7.27238 26.1997 in (null):R-9999 (7) Number of specific fragments= 1 total=731 # 1dw0A.60.60 read from T0136.t2k.frag # adding 1dw0A to template set 1dw0A:Skipped atom 550, because occupancy 0.5 <= existing 0.500001 Skipped atom 552, because occupancy 0.5 <= existing 0.500001 Skipped atom 554, because occupancy 0.5 <= existing 0.500001 Skipped atom 556, because occupancy 0.5 <= existing 0.500001 # found chain 1dw0A in template set T0136 60 :DEVGAFRKH 1dw0A 61 :KEIAPLAPS 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 # 1fc6A.61.68 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 61 :EVGAFRKHR 1fc6A 145 :EPSRLAALR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73769 Ang CZ(35) at 62.4072 34.5377 50.8539 in (null):F-9999 (5) and NH2(76) at 63.925 33.209 49.003 in (null):R-9999 (9) other bump:3.12646 Ang CZ(35) at 62.4072 34.5377 50.8539 in (null):F-9999 (5) and CZ(74) at 63.131 32.142 48.98 in (null):R-9999 (9) Number of specific fragments= 1 total=733 # 1bc5A.61.65 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 61 :EVGAFRKHR 1bc5A 81 :EWQAFINAL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0678 Ang CZ(35) at 47.922 21.311 29.393 in (null):F-9999 (5) and NH1(75) at 46.3659 21.0637 28.0539 in (null):R-9999 (9) other bump:2.24801 Ang CE1(33) at 48.501 20.466 28.425 in (null):F-9999 (5) and NH1(75) at 46.3659 21.0637 28.0539 in (null):R-9999 (9) Number of specific fragments= 1 total=734 # 1dw0A.61.61 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 61 :EVGAFRKHR 1dw0A 62 :EIAPLAPSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=735 # 3cln.61.66 read from T0136.t2k.frag # found chain 3cln in template set T0136 61 :EVGAFRKHR 3cln 67 :EFLTMMARK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07792 Ang CE2(34) at -8.90519 40.3143 22.0679 in (null):F-9999 (5) and CD(72) at -7.67519 37.5564 22.6634 in (null):R-9999 (9) other bump:2.47791 Ang CG1(14) at -13.4481 42.2754 26.98 in (null):V-9999 (2) and NH2(46) at -12.0119 42.6641 28.9615 in (null):R-9999 (6) other bump:2.91571 Ang CG1(14) at -13.4481 42.2754 26.98 in (null):V-9999 (2) and NH1(45) at -13.4216 40.9396 29.5716 in (null):R-9999 (6) other bump:2.1964 Ang CG1(14) at -13.4481 42.2754 26.98 in (null):V-9999 (2) and CZ(44) at -12.4724 41.4344 28.759 in (null):R-9999 (6) other bump:2.32447 Ang CG1(14) at -13.4481 42.2754 26.98 in (null):V-9999 (2) and NE(43) at -11.9545 40.6931 27.7977 in (null):R-9999 (6) other bump:3.13437 Ang CG1(14) at -13.4481 42.2754 26.98 in (null):V-9999 (2) and CD(42) at -12.4684 39.3476 27.5206 in (null):R-9999 (6) Number of specific fragments= 1 total=736 # 1ig5A.61.64 read from T0136.t2k.frag # found chain 1ig5A in training set T0136 61 :EVGAFRKHR 1ig5A 65 :EFQVLVKKI Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05998 Ang CE2(34) at 13.4514 10.125 22.1237 in (null):F-9999 (5) and NH2(76) at 14.1887 12.4556 20.2829 in (null):R-9999 (9) other bump:1.48321 Ang CE1(33) at 13.296 11.2996 20.0246 in (null):F-9999 (5) and NH2(76) at 14.1887 12.4556 20.2829 in (null):R-9999 (9) other bump:1.7324 Ang CZ(35) at 14.0089 10.9832 21.1779 in (null):F-9999 (5) and NH2(76) at 14.1887 12.4556 20.2829 in (null):R-9999 (9) other bump:2.34235 Ang CG(30) at 11.4684 9.89598 20.7568 in (null):F-9999 (5) and NH1(75) at 12.9449 11.3562 21.8405 in (null):R-9999 (9) other bump:1.92268 Ang CD2(32) at 12.1885 9.58986 21.9085 in (null):F-9999 (5) and NH1(75) at 12.9449 11.3562 21.8405 in (null):R-9999 (9) other bump:1.36112 Ang CE2(34) at 13.4514 10.125 22.1237 in (null):F-9999 (5) and NH1(75) at 12.9449 11.3562 21.8405 in (null):R-9999 (9) other bump:2.29464 Ang CD1(31) at 12.0332 10.7566 19.8219 in (null):F-9999 (5) and NH1(75) at 12.9449 11.3562 21.8405 in (null):R-9999 (9) other bump:1.85046 Ang CE1(33) at 13.296 11.2996 20.0246 in (null):F-9999 (5) and NH1(75) at 12.9449 11.3562 21.8405 in (null):R-9999 (9) other bump:1.30779 Ang CZ(35) at 14.0089 10.9832 21.1779 in (null):F-9999 (5) and NH1(75) at 12.9449 11.3562 21.8405 in (null):R-9999 (9) other bump:2.90785 Ang CG(30) at 11.4684 9.89598 20.7568 in (null):F-9999 (5) and CZ(74) at 13.9595 11.3776 20.9911 in (null):R-9999 (9) other bump:2.67844 Ang CD2(32) at 12.1885 9.58986 21.9085 in (null):F-9999 (5) and CZ(74) at 13.9595 11.3776 20.9911 in (null):R-9999 (9) other bump:1.76351 Ang CE2(34) at 13.4514 10.125 22.1237 in (null):F-9999 (5) and CZ(74) at 13.9595 11.3776 20.9911 in (null):R-9999 (9) other bump:2.33737 Ang CD1(31) at 12.0332 10.7566 19.8219 in (null):F-9999 (5) and CZ(74) at 13.9595 11.3776 20.9911 in (null):R-9999 (9) other bump:1.17499 Ang CE1(33) at 13.296 11.2996 20.0246 in (null):F-9999 (5) and CZ(74) at 13.9595 11.3776 20.9911 in (null):R-9999 (9) other bump:0.439217 Ang CZ(35) at 14.0089 10.9832 21.1779 in (null):F-9999 (5) and CZ(74) at 13.9595 11.3776 20.9911 in (null):R-9999 (9) other bump:1.85546 Ang CE2(34) at 13.4514 10.125 22.1237 in (null):F-9999 (5) and NE(73) at 14.7737 10.3476 20.8412 in (null):R-9999 (9) other bump:2.9523 Ang CD1(31) at 12.0332 10.7566 19.8219 in (null):F-9999 (5) and NE(73) at 14.7737 10.3476 20.8412 in (null):R-9999 (9) other bump:1.93822 Ang CE1(33) at 13.296 11.2996 20.0246 in (null):F-9999 (5) and NE(73) at 14.7737 10.3476 20.8412 in (null):R-9999 (9) other bump:1.04985 Ang CZ(35) at 14.0089 10.9832 21.1779 in (null):F-9999 (5) and NE(73) at 14.7737 10.3476 20.8412 in (null):R-9999 (9) other bump:2.55514 Ang CD2(32) at 12.1885 9.58986 21.9085 in (null):F-9999 (5) and CD(72) at 14.6697 9.08848 21.5601 in (null):R-9999 (9) other bump:1.69594 Ang CE2(34) at 13.4514 10.125 22.1237 in (null):F-9999 (5) and CD(72) at 14.6697 9.08848 21.5601 in (null):R-9999 (9) other bump:2.04269 Ang CZ(35) at 14.0089 10.9832 21.1779 in (null):F-9999 (5) and CD(72) at 14.6697 9.08848 21.5601 in (null):R-9999 (9) other bump:2.60584 Ang O(25) at 9.632 5.475 18.677 in (null):A-9999 (4) and CD2(62) at 10.2702 5.2961 16.1569 in (null):H-9999 (8) other bump:2.50411 Ang CG1(14) at 6.55177 9.81634 24.593 in (null):V-9999 (2) and NH1(45) at 7.03139 8.47184 26.6504 in (null):R-9999 (6) other bump:3.01108 Ang CG1(14) at 6.55177 9.81634 24.593 in (null):V-9999 (2) and CZ(44) at 6.66809 7.27238 26.1997 in (null):R-9999 (6) Number of specific fragments= 1 total=737 # 2gsq.61.61 read from T0136.t2k.frag # adding 2gsq to template set 2gsq:# found chain 2gsq in template set T0136 61 :EVGAFRKHR 2gsq 62 :QSMCIARHL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52453 Ang CG1(14) at 20.6755 35.9417 9.4439 in (null):V-9999 (2) and NH2(46) at 22.8988 35.3188 8.4229 in (null):R-9999 (6) other bump:2.5699 Ang CG1(14) at 20.6755 35.9417 9.4439 in (null):V-9999 (2) and NH1(45) at 22.9393 35.8641 10.6578 in (null):R-9999 (6) other bump:2.7567 Ang CG1(14) at 20.6755 35.9417 9.4439 in (null):V-9999 (2) and CZ(44) at 23.4314 36.0075 9.42855 in (null):R-9999 (6) other bump:2.67906 Ang C(1) at 15.498 41.742 8.128 in (null):G-9999 (0) and CZ(35) at 16.4032 42.5241 10.5251 in (null):F-9999 (5) other bump:2.68946 Ang O(0) at 16.234 42.523 7.504 in (null):G-9999 (0) and CE2(34) at 17.0388 43.5759 9.84427 in (null):F-9999 (5) other bump:2.94667 Ang C(1) at 15.498 41.742 8.128 in (null):G-9999 (0) and CE2(34) at 17.0388 43.5759 9.84427 in (null):F-9999 (5) Number of specific fragments= 1 total=738 # 1bc5A.62.66 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 62 :VGAFRKHRT 1bc5A 82 :WQAFINALT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.52611 Ang CE1(24) at 48.501 20.466 28.425 in (null):F-9999 (4) and NH2(67) at 47.4495 19.8489 27.5071 in (null):R-9999 (8) other bump:2.43262 Ang CZ(26) at 47.922 21.311 29.393 in (null):F-9999 (4) and NH2(67) at 47.4495 19.8489 27.5071 in (null):R-9999 (8) other bump:1.9382 Ang CE1(24) at 48.501 20.466 28.425 in (null):F-9999 (4) and NH1(66) at 47.0306 21.6521 28.8581 in (null):R-9999 (8) other bump:2.12108 Ang CE2(25) at 48.695 22.256 30.026 in (null):F-9999 (4) and NH1(66) at 47.0306 21.6521 28.8581 in (null):R-9999 (8) other bump:1.09414 Ang CZ(26) at 47.922 21.311 29.393 in (null):F-9999 (4) and NH1(66) at 47.0306 21.6521 28.8581 in (null):R-9999 (8) other bump:2.67935 Ang CD1(22) at 49.866 20.587 28.103 in (null):F-9999 (4) and CZ(65) at 47.2868 21.162 27.6601 in (null):R-9999 (8) other bump:1.5949 Ang CE1(24) at 48.501 20.466 28.425 in (null):F-9999 (4) and CZ(65) at 47.2868 21.162 27.6601 in (null):R-9999 (8) other bump:2.96269 Ang CE2(25) at 48.695 22.256 30.026 in (null):F-9999 (4) and CZ(65) at 47.2868 21.162 27.6601 in (null):R-9999 (8) other bump:1.85168 Ang CZ(26) at 47.922 21.311 29.393 in (null):F-9999 (4) and CZ(65) at 47.2868 21.162 27.6601 in (null):R-9999 (8) other bump:2.90252 Ang CZ(26) at 47.922 21.311 29.393 in (null):F-9999 (4) and NE(64) at 47.3994 21.9824 26.618 in (null):R-9999 (8) Number of specific fragments= 1 total=739 # 1fc6A.62.69 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 62 :VGAFRKHRT 1fc6A 146 :PSRLAALRR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73769 Ang CZ(26) at 62.4072 34.5377 50.8539 in (null):F-9999 (4) and NH2(67) at 63.925 33.209 49.003 in (null):R-9999 (8) other bump:3.12646 Ang CZ(26) at 62.4072 34.5377 50.8539 in (null):F-9999 (4) and CZ(65) at 63.131 32.142 48.98 in (null):R-9999 (8) Number of specific fragments= 1 total=740 # 1dw0A.62.62 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 62 :VGAFRKHRT 1dw0A 63 :IAPLAPSAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=741 # 3cln.62.67 read from T0136.t2k.frag # found chain 3cln in template set T0136 62 :VGAFRKHRT 3cln 68 :FLTMMARKM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97263 Ang CE2(25) at -8.90519 40.3143 22.0679 in (null):F-9999 (4) and CD(63) at -7.62279 37.6436 22.3111 in (null):R-9999 (8) other bump:2.47791 Ang CG1(5) at -13.4481 42.2754 26.98 in (null):V-9999 (1) and NH2(37) at -12.0119 42.6641 28.9615 in (null):R-9999 (5) other bump:2.91571 Ang CG1(5) at -13.4481 42.2754 26.98 in (null):V-9999 (1) and NH1(36) at -13.4216 40.9396 29.5716 in (null):R-9999 (5) other bump:2.19639 Ang CG1(5) at -13.4481 42.2754 26.98 in (null):V-9999 (1) and CZ(35) at -12.4724 41.4344 28.759 in (null):R-9999 (5) other bump:2.32446 Ang CG1(5) at -13.4481 42.2754 26.98 in (null):V-9999 (1) and NE(34) at -11.9545 40.6931 27.7977 in (null):R-9999 (5) other bump:3.13436 Ang CG1(5) at -13.4481 42.2754 26.98 in (null):V-9999 (1) and CD(33) at -12.4684 39.3476 27.5206 in (null):R-9999 (5) Number of specific fragments= 1 total=742 # 2gsq.62.62 read from T0136.t2k.frag # found chain 2gsq in template set T0136 62 :VGAFRKHRT 2gsq 63 :SMCIARHLA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52454 Ang CG1(5) at 20.6755 35.9417 9.4439 in (null):V-9999 (1) and NH2(37) at 22.8988 35.3188 8.4229 in (null):R-9999 (5) other bump:2.56991 Ang CG1(5) at 20.6755 35.9417 9.4439 in (null):V-9999 (1) and NH1(36) at 22.9393 35.8641 10.6578 in (null):R-9999 (5) other bump:2.7567 Ang CG1(5) at 20.6755 35.9417 9.4439 in (null):V-9999 (1) and CZ(35) at 23.4314 36.0075 9.42855 in (null):R-9999 (5) Number of specific fragments= 1 total=743 # 1g4yR.62.67 read from T0136.t2k.frag # adding 1g4yR to template set 1g4yR:# found chain 1g4yR in template set T0136 62 :VGAFRKHRT 1g4yR 68 :FLTMMARKM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42706 Ang O(16) at 38.589 58.066 54.989 in (null):A-9999 (3) and CD2(53) at 40.6071 59.3826 54.6982 in (null):H-9999 (7) Number of specific fragments= 1 total=744 # 1bc5A.63.67 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 63 :GAFRKHRTT 1bc5A 83 :QAFINALTT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43262 Ang CZ(19) at 47.922 21.311 29.393 in (null):F-9999 (3) and NH2(60) at 47.4495 19.8489 27.5071 in (null):R-9999 (7) other bump:1.52611 Ang CE1(17) at 48.501 20.466 28.425 in (null):F-9999 (3) and NH2(60) at 47.4495 19.8489 27.5071 in (null):R-9999 (7) other bump:1.09414 Ang CZ(19) at 47.922 21.311 29.393 in (null):F-9999 (3) and NH1(59) at 47.0306 21.6521 28.8581 in (null):R-9999 (7) other bump:1.9382 Ang CE1(17) at 48.501 20.466 28.425 in (null):F-9999 (3) and NH1(59) at 47.0306 21.6521 28.8581 in (null):R-9999 (7) other bump:2.12108 Ang CE2(18) at 48.695 22.256 30.026 in (null):F-9999 (3) and NH1(59) at 47.0306 21.6521 28.8581 in (null):R-9999 (7) other bump:1.85168 Ang CZ(19) at 47.922 21.311 29.393 in (null):F-9999 (3) and CZ(58) at 47.2868 21.162 27.6601 in (null):R-9999 (7) other bump:2.67935 Ang CD1(15) at 49.866 20.587 28.103 in (null):F-9999 (3) and CZ(58) at 47.2868 21.162 27.6601 in (null):R-9999 (7) other bump:1.5949 Ang CE1(17) at 48.501 20.466 28.425 in (null):F-9999 (3) and CZ(58) at 47.2868 21.162 27.6601 in (null):R-9999 (7) other bump:2.96269 Ang CE2(18) at 48.695 22.256 30.026 in (null):F-9999 (3) and CZ(58) at 47.2868 21.162 27.6601 in (null):R-9999 (7) other bump:2.90252 Ang CZ(19) at 47.922 21.311 29.393 in (null):F-9999 (3) and NE(57) at 47.3994 21.9824 26.618 in (null):R-9999 (7) Number of specific fragments= 1 total=745 # 1fc6A.63.70 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 63 :GAFRKHRTT 1fc6A 147 :SRLAALRRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.14424 Ang CG2(73) at 54.6991 33.1928 40.0553 in (null):T-9999 (9) and CA(78) at 53.548 30.887 38.254 in (null):G-9999 (10) neighbor-bump: 2.43126 Ang CB(72) at 55.8559 32.6002 40.8361 in (null):T-9999 (9) and N(77) at 54.491 31.387 39.231 in (null):G-9999 (10) neighbor-bump: 1.99589 Ang CG2(73) at 54.6991 33.1928 40.0553 in (null):T-9999 (9) and N(77) at 54.491 31.387 39.231 in (null):G-9999 (10) self-bump: 2.2156 Ang CB(72) at 55.8559 32.6002 40.8361 in (null):T-9999 (9) and C(76) at 54.67 30.779 40.405 in (null):T-9999 (9) self-bump: 1.27086 Ang CA(71) at 55.742 31.419 41.291 in (null):T-9999 (9) and CB(72) at 55.8559 32.6002 40.8361 in (null):T-9999 (9) other bump:2.73769 Ang CZ(19) at 62.4072 34.5377 50.8539 in (null):F-9999 (3) and NH2(60) at 63.925 33.209 49.003 in (null):R-9999 (7) other bump:3.12646 Ang CZ(19) at 62.4072 34.5377 50.8539 in (null):F-9999 (3) and CZ(58) at 63.131 32.142 48.98 in (null):R-9999 (7) Number of specific fragments= 1 total=746 # 2gsq.63.63 read from T0136.t2k.frag # found chain 2gsq in template set T0136 63 :GAFRKHRTT 2gsq 64 :MCIARHLAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=747 # 1dw0A.63.63 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 63 :GAFRKHRTT 1dw0A 64 :APLAPSATP 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 # 3cln.63.68 read from T0136.t2k.frag # found chain 3cln in template set T0136 63 :GAFRKHRTT 3cln 69 :LTMMARKMK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97263 Ang CE2(18) at -8.90519 40.3143 22.0679 in (null):F-9999 (3) and CD(56) at -7.62279 37.6436 22.3111 in (null):R-9999 (7) Number of specific fragments= 1 total=749 # 1g4yR.63.68 read from T0136.t2k.frag # found chain 1g4yR in template set T0136 63 :GAFRKHRTT 1g4yR 69 :LTMMARKMK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42706 Ang O(9) at 38.589 58.066 54.989 in (null):A-9999 (2) and CD2(46) at 40.6071 59.3826 54.6982 in (null):H-9999 (6) Number of specific fragments= 1 total=750 # 1bc5A.64.68 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 64 :AFRKHRTTL 1bc5A 84 :AFINALTTN Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43262 Ang CZ(15) at 47.922 21.311 29.393 in (null):F-9999 (2) and NH2(56) at 47.4495 19.8489 27.5071 in (null):R-9999 (6) other bump:1.52611 Ang CE1(13) at 48.501 20.466 28.425 in (null):F-9999 (2) and NH2(56) at 47.4495 19.8489 27.5071 in (null):R-9999 (6) other bump:1.09414 Ang CZ(15) at 47.922 21.311 29.393 in (null):F-9999 (2) and NH1(55) at 47.0306 21.6521 28.8581 in (null):R-9999 (6) other bump:1.9382 Ang CE1(13) at 48.501 20.466 28.425 in (null):F-9999 (2) and NH1(55) at 47.0306 21.6521 28.8581 in (null):R-9999 (6) other bump:2.12108 Ang CE2(14) at 48.695 22.256 30.026 in (null):F-9999 (2) and NH1(55) at 47.0306 21.6521 28.8581 in (null):R-9999 (6) other bump:1.85168 Ang CZ(15) at 47.922 21.311 29.393 in (null):F-9999 (2) and CZ(54) at 47.2868 21.162 27.6601 in (null):R-9999 (6) other bump:2.67935 Ang CD1(11) at 49.866 20.587 28.103 in (null):F-9999 (2) and CZ(54) at 47.2868 21.162 27.6601 in (null):R-9999 (6) other bump:1.5949 Ang CE1(13) at 48.501 20.466 28.425 in (null):F-9999 (2) and CZ(54) at 47.2868 21.162 27.6601 in (null):R-9999 (6) other bump:2.96269 Ang CE2(14) at 48.695 22.256 30.026 in (null):F-9999 (2) and CZ(54) at 47.2868 21.162 27.6601 in (null):R-9999 (6) other bump:2.90252 Ang CZ(15) at 47.922 21.311 29.393 in (null):F-9999 (2) and NE(53) at 47.3994 21.9824 26.618 in (null):R-9999 (6) Number of specific fragments= 1 total=751 # 2gsq.64.64 read from T0136.t2k.frag # found chain 2gsq in template set T0136 64 :AFRKHRTTL 2gsq 65 :CIARHLARE 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 # 3cln.64.69 read from T0136.t2k.frag # found chain 3cln in template set T0136 64 :AFRKHRTTL 3cln 70 :TMMARKMKD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97263 Ang CE2(14) at -8.90519 40.3143 22.0679 in (null):F-9999 (2) and CD(52) at -7.62279 37.6436 22.3111 in (null):R-9999 (6) Number of specific fragments= 1 total=753 # 1g4yR.64.69 read from T0136.t2k.frag # found chain 1g4yR in template set T0136 64 :AFRKHRTTL 1g4yR 70 :TMMARKMKD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42706 Ang O(5) at 38.589 58.066 54.989 in (null):A-9999 (1) and CD2(42) at 40.6071 59.3826 54.6982 in (null):H-9999 (5) Number of specific fragments= 1 total=754 # 1dw0A.64.64 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 64 :AFRKHRTTL 1dw0A 65 :PLAPSATPD 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 # 1fc6A.64.71 read from T0136.t2k.frag # found chain 1fc6A in training set T0136 64 :AFRKHRTTL 1fc6A 148 :RLAALRRGT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.14424 Ang CG2(69) at 54.6991 33.1928 40.0553 in (null):T-9999 (8) and CA(74) at 53.548 30.887 38.254 in (null):L-9999 (9) neighbor-bump: 2.43126 Ang CB(68) at 55.8559 32.6002 40.8361 in (null):T-9999 (8) and N(73) at 54.491 31.387 39.231 in (null):L-9999 (9) neighbor-bump: 1.99589 Ang CG2(69) at 54.6991 33.1928 40.0553 in (null):T-9999 (8) and N(73) at 54.491 31.387 39.231 in (null):L-9999 (9) self-bump: 2.21559 Ang CB(68) at 55.8559 32.6002 40.8361 in (null):T-9999 (8) and C(72) at 54.67 30.779 40.405 in (null):T-9999 (8) self-bump: 1.27086 Ang CA(67) at 55.742 31.419 41.291 in (null):T-9999 (8) and CB(68) at 55.8559 32.6002 40.8361 in (null):T-9999 (8) other bump:2.73769 Ang CZ(15) at 62.4072 34.5377 50.8539 in (null):F-9999 (2) and NH2(56) at 63.925 33.209 49.003 in (null):R-9999 (6) other bump:3.12646 Ang CZ(15) at 62.4072 34.5377 50.8539 in (null):F-9999 (2) and CZ(54) at 63.131 32.142 48.98 in (null):R-9999 (6) Number of specific fragments= 1 total=756 # 1bc5A.65.69 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 65 :FRKHRTTLF 1bc5A 85 :FINALTTNL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43262 Ang CZ(10) at 47.922 21.311 29.393 in (null):F-9999 (1) and NH2(51) at 47.4495 19.8489 27.5071 in (null):R-9999 (5) other bump:1.52611 Ang CE1(8) at 48.501 20.466 28.425 in (null):F-9999 (1) and NH2(51) at 47.4495 19.8489 27.5071 in (null):R-9999 (5) other bump:1.09414 Ang CZ(10) at 47.922 21.311 29.393 in (null):F-9999 (1) and NH1(50) at 47.0306 21.6521 28.8581 in (null):R-9999 (5) other bump:1.9382 Ang CE1(8) at 48.501 20.466 28.425 in (null):F-9999 (1) and NH1(50) at 47.0306 21.6521 28.8581 in (null):R-9999 (5) other bump:2.12108 Ang CE2(9) at 48.695 22.256 30.026 in (null):F-9999 (1) and NH1(50) at 47.0306 21.6521 28.8581 in (null):R-9999 (5) other bump:1.85168 Ang CZ(10) at 47.922 21.311 29.393 in (null):F-9999 (1) and CZ(49) at 47.2868 21.162 27.6601 in (null):R-9999 (5) other bump:2.67935 Ang CD1(6) at 49.866 20.587 28.103 in (null):F-9999 (1) and CZ(49) at 47.2868 21.162 27.6601 in (null):R-9999 (5) other bump:1.5949 Ang CE1(8) at 48.501 20.466 28.425 in (null):F-9999 (1) and CZ(49) at 47.2868 21.162 27.6601 in (null):R-9999 (5) other bump:2.96269 Ang CE2(9) at 48.695 22.256 30.026 in (null):F-9999 (1) and CZ(49) at 47.2868 21.162 27.6601 in (null):R-9999 (5) other bump:2.90252 Ang CZ(10) at 47.922 21.311 29.393 in (null):F-9999 (1) and NE(48) at 47.3994 21.9824 26.618 in (null):R-9999 (5) Number of specific fragments= 1 total=757 # 2gsq.65.65 read from T0136.t2k.frag # found chain 2gsq in template set T0136 65 :FRKHRTTLF 2gsq 66 :IARHLAREF 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 # 3cln.65.70 read from T0136.t2k.frag # found chain 3cln in template set T0136 65 :FRKHRTTLF 3cln 71 :MMARKMKDT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55534 Ang O(52) at -7.882 32.94 22.089 in (null):R-9999 (5) and CE1(82) at -5.7621 34.3644 22.0065 in (null):F-9999 (9) other bump:2.71106 Ang CG(46) at -7.78115 36.1723 21.9364 in (null):R-9999 (5) and CE1(82) at -5.7621 34.3644 22.0065 in (null):F-9999 (9) other bump:2.06915 Ang O(52) at -7.882 32.94 22.089 in (null):R-9999 (5) and CD1(80) at -5.88808 33.1082 22.6156 in (null):F-9999 (9) other bump:2.97264 Ang CE2(9) at -8.9052 40.3143 22.0679 in (null):F-9999 (1) and CD(47) at -7.62279 37.6436 22.3111 in (null):R-9999 (5) Number of specific fragments= 1 total=759 # 1g4yR.65.70 read from T0136.t2k.frag # found chain 1g4yR in template set T0136 65 :FRKHRTTLF 1g4yR 71 :MMARKMKDT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42706 Ang O(0) at 38.589 58.066 54.989 in (null):G-9999 (0) and CD2(37) at 40.6071 59.3826 54.6982 in (null):H-9999 (4) Number of specific fragments= 1 total=760 # 1dw0A.65.65 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 65 :FRKHRTTLF 1dw0A 66 :LAPSATPDR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15993 Ang O(0) at 31.517 21.283 99.378 in (null):G-9999 (0) and CZ(84) at 32.3366 19.5168 100.313 in (null):F-9999 (9) other bump:2.71639 Ang CG2(57) at 33.832 21.745 100.734 in (null):T-9999 (6) and CZ(84) at 32.3366 19.5168 100.313 in (null):F-9999 (9) other bump:2.92273 Ang CB(56) at 34.872 20.734 101.108 in (null):T-9999 (6) and CZ(84) at 32.3366 19.5168 100.313 in (null):F-9999 (9) other bump:2.17829 Ang OG1(58) at 34.268 19.438 101.317 in (null):T-9999 (6) and CZ(84) at 32.3366 19.5168 100.313 in (null):F-9999 (9) other bump:2.42413 Ang O(0) at 31.517 21.283 99.378 in (null):G-9999 (0) and CE2(83) at 33.3598 19.709 99.4305 in (null):F-9999 (9) other bump:3.12146 Ang CA(55) at 36.158 20.789 100.295 in (null):T-9999 (6) and CE2(83) at 33.3598 19.709 99.4305 in (null):F-9999 (9) other bump:2.46323 Ang CG2(57) at 33.832 21.745 100.734 in (null):T-9999 (6) and CE2(83) at 33.3598 19.709 99.4305 in (null):F-9999 (9) other bump:2.48018 Ang CB(56) at 34.872 20.734 101.108 in (null):T-9999 (6) and CE2(83) at 33.3598 19.709 99.4305 in (null):F-9999 (9) other bump:2.11117 Ang OG1(58) at 34.268 19.438 101.317 in (null):T-9999 (6) and CE2(83) at 33.3598 19.709 99.4305 in (null):F-9999 (9) other bump:2.41913 Ang O(59) at 36.163 18.635 99.121 in (null):T-9999 (6) and CD2(81) at 33.7939 18.6787 98.6337 in (null):F-9999 (9) Number of specific fragments= 1 total=761 # 1a59.65.65 read from T0136.t2k.frag # adding 1a59 to template set 1a59:# found chain 1a59 in template set T0136 65 :FRKHRTTLF 1a59 66 :FVNFERSHR Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82162 Ang N(54) at -28.493 36.663 119.076 in (null):T-9999 (6) and CZ(84) at -27.9925 36.0979 116.357 in (null):F-9999 (9) other bump:2.57516 Ang CA(55) at -28.731 35.278 118.684 in (null):T-9999 (6) and CZ(84) at -27.9925 36.0979 116.357 in (null):F-9999 (9) other bump:2.95713 Ang C(53) at -29.203 37.66 118.557 in (null):R-9999 (5) and CZ(84) at -27.9925 36.0979 116.357 in (null):F-9999 (9) other bump:2.91191 Ang CG(46) at -27.4348 39.4243 116.946 in (null):R-9999 (5) and CE2(83) at -28.7894 37.1137 115.803 in (null):F-9999 (9) other bump:2.45001 Ang O(52) at -30.161 37.47 117.802 in (null):R-9999 (5) and CE2(83) at -28.7894 37.1137 115.803 in (null):F-9999 (9) other bump:2.83757 Ang C(53) at -29.203 37.66 118.557 in (null):R-9999 (5) and CE2(83) at -28.7894 37.1137 115.803 in (null):F-9999 (9) other bump:2.50375 Ang CA(55) at -28.731 35.278 118.684 in (null):T-9999 (6) and CE1(82) at -28.3608 34.751 116.264 in (null):F-9999 (9) other bump:3.22733 Ang C(60) at -30.118 34.699 118.971 in (null):T-9999 (6) and CE1(82) at -28.3608 34.751 116.264 in (null):F-9999 (9) other bump:2.22707 Ang ND1(38) at -31.8475 41.6881 121.328 in (null):H-9999 (4) and CD1(72) at -33.3769 40.2436 120.597 in (null):L-9999 (8) other bump:2.00374 Ang CE1(39) at -33.1031 42.1036 121.29 in (null):H-9999 (4) and CD1(72) at -33.3769 40.2436 120.597 in (null):L-9999 (8) other bump:2.53983 Ang NE2(40) at -33.6418 41.921 122.486 in (null):H-9999 (4) and CD1(72) at -33.3769 40.2436 120.597 in (null):L-9999 (8) other bump:2.7467 Ang CD2(7) at -24.395 42.807 120.583 in (null):F-9999 (1) and NH2(51) at -23.9282 42.2853 117.927 in (null):R-9999 (5) other bump:1.81847 Ang CE2(9) at -24.639 43.261 119.287 in (null):F-9999 (1) and NH2(51) at -23.9282 42.2853 117.927 in (null):R-9999 (5) other bump:2.83169 Ang CZ(10) at -25.444 44.377 119.087 in (null):F-9999 (1) and NH2(51) at -23.9282 42.2853 117.927 in (null):R-9999 (5) other bump:2.76553 Ang CE2(9) at -24.639 43.261 119.287 in (null):F-9999 (1) and CZ(49) at -24.3571 41.0673 117.627 in (null):R-9999 (5) Number of specific fragments= 1 total=762 # 1bc5A.66.70 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 66 :RKHRTTLFG 1bc5A 86 :INALTTNLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=763 # 2gsq.66.66 read from T0136.t2k.frag # found chain 2gsq in template set T0136 66 :RKHRTTLFG 2gsq 67 :ARHLAREFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=764 # 1a59.66.66 read from T0136.t2k.frag # found chain 1a59 in template set T0136 66 :RKHRTTLFG 1a59 67 :VNFERSHRK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57516 Ang CA(44) at -28.731 35.278 118.684 in (null):T-9999 (5) and CZ(73) at -27.9925 36.0979 116.357 in (null):F-9999 (8) other bump:2.95713 Ang C(42) at -29.203 37.66 118.557 in (null):R-9999 (4) and CZ(73) at -27.9925 36.0979 116.357 in (null):F-9999 (8) other bump:2.82162 Ang N(43) at -28.493 36.663 119.076 in (null):T-9999 (5) and CZ(73) at -27.9925 36.0979 116.357 in (null):F-9999 (8) other bump:2.45 Ang O(41) at -30.161 37.47 117.802 in (null):R-9999 (4) and CE2(72) at -28.7894 37.1137 115.803 in (null):F-9999 (8) other bump:2.83756 Ang C(42) at -29.203 37.66 118.557 in (null):R-9999 (4) and CE2(72) at -28.7894 37.1137 115.803 in (null):F-9999 (8) other bump:2.9119 Ang CG(35) at -27.4348 39.4242 116.946 in (null):R-9999 (4) and CE2(72) at -28.7894 37.1137 115.803 in (null):F-9999 (8) other bump:2.50375 Ang CA(44) at -28.731 35.278 118.684 in (null):T-9999 (5) and CE1(71) at -28.3608 34.7511 116.264 in (null):F-9999 (8) other bump:3.22732 Ang C(49) at -30.118 34.699 118.971 in (null):T-9999 (5) and CE1(71) at -28.3608 34.7511 116.264 in (null):F-9999 (8) other bump:2.22708 Ang ND1(27) at -31.8475 41.6881 121.328 in (null):H-9999 (3) and CD1(61) at -33.3769 40.2436 120.597 in (null):L-9999 (7) other bump:2.00375 Ang CE1(28) at -33.1031 42.1036 121.29 in (null):H-9999 (3) and CD1(61) at -33.3769 40.2436 120.597 in (null):L-9999 (7) other bump:2.53984 Ang NE2(29) at -33.6418 41.921 122.486 in (null):H-9999 (3) and CD1(61) at -33.3769 40.2436 120.597 in (null):L-9999 (7) Number of specific fragments= 1 total=765 # 3cln.66.71 read from T0136.t2k.frag # found chain 3cln in template set T0136 66 :RKHRTTLFG 3cln 72 :MARKMKDTD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95117 Ang CG(35) at -7.78115 36.1723 21.9364 in (null):R-9999 (4) and CZ(73) at -5.18005 34.8422 21.5187 in (null):F-9999 (8) other bump:2.0037 Ang O(41) at -7.882 32.94 22.089 in (null):R-9999 (4) and CE2(72) at -6.34882 34.2121 21.8746 in (null):F-9999 (8) other bump:2.42854 Ang CG(35) at -7.78115 36.1723 21.9364 in (null):R-9999 (4) and CE2(72) at -6.34882 34.2121 21.8746 in (null):F-9999 (8) other bump:2.88442 Ang C(42) at -9.086 33.314 22.02 in (null):R-9999 (4) and CE2(72) at -6.34882 34.2121 21.8746 in (null):F-9999 (8) other bump:1.61515 Ang O(41) at -7.882 32.94 22.089 in (null):R-9999 (4) and CD2(70) at -6.30948 32.9434 22.4576 in (null):F-9999 (8) other bump:2.83513 Ang C(42) at -9.086 33.314 22.02 in (null):R-9999 (4) and CD2(70) at -6.30948 32.9434 22.4576 in (null):F-9999 (8) Number of specific fragments= 1 total=766 # 1g4yR.66.71 read from T0136.t2k.frag # found chain 1g4yR in template set T0136 66 :RKHRTTLFG 1g4yR 72 :MARKMKDTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=767 # 1lre.66.66 read from T0136.t2k.frag # adding 1lre to template set 1lre:# found chain 1lre in template set T0136 66 :RKHRTTLFG 1lre 83 :VILAKYGLD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01238 Ang ND1(27) at 5.0132 -3.64069 4.11746 in (null):H-9999 (3) and CA(77) at 6.747 -4.658 6.361 in (null):G-9999 (9) other bump:2.69007 Ang ND1(27) at 5.0132 -3.64069 4.11746 in (null):H-9999 (3) and N(76) at 7.447 -4.125 5.156 in (null):G-9999 (9) other bump:2.12403 Ang OG1(54) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (6) and CE1(71) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (8) other bump:2.65673 Ang CG2(53) at 10.2304 -1.39348 -1.94616 in (null):T-9999 (6) and CE1(71) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (8) other bump:2.37695 Ang CB(52) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (6) and CE1(71) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (8) other bump:1.65836 Ang OG1(54) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (6) and CD1(69) at 8.43616 -0.733032 0.868199 in (null):F-9999 (8) other bump:2.53522 Ang CB(52) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (6) and CD1(69) at 8.43616 -0.733032 0.868199 in (null):F-9999 (8) other bump:2.70376 Ang O(30) at 7.858 -6.255 1.167 in (null):H-9999 (3) and CA(58) at 10.217 -5.748 2.387 in (null):L-9999 (7) other bump:2.62238 Ang O(0) at 4.016 -7.75 -0.745 in (null):G-9999 (0) and CB(34) at 6.24544 -8.72644 -1.72122 in (null):R-9999 (4) Number of specific fragments= 1 total=768 # 2gsq.67.67 read from T0136.t2k.frag # found chain 2gsq in template set T0136 67 :KHRTTLFGM 2gsq 68 :RHLAREFGL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91375 Ang CG2(35) at 31.0266 43.3714 6.71495 in (null):T-9999 (4) and N(77) at 33.403 44.662 5.63 in (null):G-9999 (10) other bump:2.66994 Ang CG2(35) at 31.0266 43.3714 6.71495 in (null):T-9999 (4) and C(76) at 33.664 43.748 6.539 in (null):M-9999 (9) other bump:2.71154 Ang CG2(35) at 31.0266 43.3714 6.71495 in (null):T-9999 (4) and O(75) at 33.581 42.539 6.348 in (null):M-9999 (9) Number of specific fragments= 1 total=769 # 1bc5A.67.71 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 67 :KHRTTLFGM 1bc5A 87 :NALTTNLTA 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 # 1a59.67.67 read from T0136.t2k.frag # found chain 1a59 in template set T0136 67 :KHRTTLFGM 1a59 68 :NFERSHRKL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57518 Ang CA(33) at -28.731 35.278 118.684 in (null):T-9999 (4) and CZ(62) at -27.9925 36.0979 116.357 in (null):F-9999 (7) other bump:2.95714 Ang C(31) at -29.203 37.66 118.557 in (null):R-9999 (3) and CZ(62) at -27.9925 36.0979 116.357 in (null):F-9999 (7) other bump:2.82164 Ang N(32) at -28.493 36.663 119.076 in (null):T-9999 (4) and CZ(62) at -27.9925 36.0979 116.357 in (null):F-9999 (7) other bump:2.45002 Ang O(30) at -30.161 37.47 117.802 in (null):R-9999 (3) and CE2(61) at -28.7894 37.1137 115.803 in (null):F-9999 (7) other bump:2.83758 Ang C(31) at -29.203 37.66 118.557 in (null):R-9999 (3) and CE2(61) at -28.7894 37.1137 115.803 in (null):F-9999 (7) other bump:2.9119 Ang CG(24) at -27.4348 39.4243 116.946 in (null):R-9999 (3) and CE2(61) at -28.7894 37.1137 115.803 in (null):F-9999 (7) other bump:2.50376 Ang CA(33) at -28.731 35.278 118.684 in (null):T-9999 (4) and CE1(60) at -28.3608 34.7511 116.264 in (null):F-9999 (7) other bump:3.22734 Ang C(38) at -30.118 34.699 118.971 in (null):T-9999 (4) and CE1(60) at -28.3608 34.7511 116.264 in (null):F-9999 (7) other bump:2.00374 Ang CE1(17) at -33.1031 42.1036 121.29 in (null):H-9999 (2) and CD1(50) at -33.3769 40.2436 120.597 in (null):L-9999 (6) other bump:2.53984 Ang NE2(18) at -33.6418 41.921 122.486 in (null):H-9999 (2) and CD1(50) at -33.3769 40.2436 120.597 in (null):L-9999 (6) other bump:2.22708 Ang ND1(16) at -31.8475 41.6881 121.328 in (null):H-9999 (2) and CD1(50) at -33.3769 40.2436 120.597 in (null):L-9999 (6) Number of specific fragments= 1 total=771 # 1fc4A.67.70 read from T0136.t2k.frag # adding 1fc4A to template set 1fc4A: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 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 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 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 1fc4A in template set T0136 67 :KHRTTLFGM 1fc4A 68 :GMDSHGFGM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=772 # 1lre.67.67 read from T0136.t2k.frag # found chain 1lre in template set T0136 67 :KHRTTLFGM 1lre 84 :ILAKYGLDG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.79155 Ang C(20) at 6.835 -5.978 0.578 in (null):H-9999 (2) and CE(74) at 5.59608 -7.04242 1.31403 in (null):M-9999 (9) other bump:1.99622 Ang N(21) at 6.437 -6.662 -0.456 in (null):R-9999 (3) and CE(74) at 5.59608 -7.04242 1.31403 in (null):M-9999 (9) other bump:2.29159 Ang CA(12) at 5.962 -4.802 1.001 in (null):H-9999 (2) and CE(74) at 5.59608 -7.04242 1.31403 in (null):M-9999 (9) other bump:2.17413 Ang CB(13) at 4.88693 -5.14504 2.10389 in (null):H-9999 (2) and CE(74) at 5.59608 -7.04242 1.31403 in (null):M-9999 (9) other bump:2.39957 Ang O(19) at 7.858 -6.255 1.167 in (null):H-9999 (2) and CE(74) at 5.59608 -7.04242 1.31403 in (null):M-9999 (9) other bump:2.90154 Ang CA(22) at 7.245 -7.812 -0.946 in (null):R-9999 (3) and CE(74) at 5.59608 -7.04242 1.31403 in (null):M-9999 (9) other bump:3.04769 Ang CB(23) at 6.24544 -8.72644 -1.72122 in (null):R-9999 (3) and SD(73) at 6.57771 -8.5633 1.30391 in (null):M-9999 (9) other bump:2.69758 Ang C(20) at 6.835 -5.978 0.578 in (null):H-9999 (2) and SD(73) at 6.57771 -8.5633 1.30391 in (null):M-9999 (9) other bump:2.59462 Ang N(21) at 6.437 -6.662 -0.456 in (null):R-9999 (3) and SD(73) at 6.57771 -8.5633 1.30391 in (null):M-9999 (9) other bump:2.64313 Ang O(19) at 7.858 -6.255 1.167 in (null):H-9999 (2) and SD(73) at 6.57771 -8.5633 1.30391 in (null):M-9999 (9) other bump:2.4641 Ang CA(22) at 7.245 -7.812 -0.946 in (null):R-9999 (3) and SD(73) at 6.57771 -8.5633 1.30391 in (null):M-9999 (9) other bump:3.01238 Ang ND1(16) at 5.01319 -3.6407 4.11746 in (null):H-9999 (2) and CA(66) at 6.747 -4.658 6.361 in (null):G-9999 (8) other bump:2.69008 Ang ND1(16) at 5.01319 -3.6407 4.11746 in (null):H-9999 (2) and N(65) at 7.447 -4.125 5.156 in (null):G-9999 (8) other bump:2.37695 Ang CB(41) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (5) and CE1(60) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (7) other bump:2.12404 Ang OG1(43) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (5) and CE1(60) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (7) other bump:2.65673 Ang CG2(42) at 10.2304 -1.39348 -1.94616 in (null):T-9999 (5) and CE1(60) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (7) other bump:2.53522 Ang CB(41) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (5) and CD1(58) at 8.43616 -0.733032 0.868199 in (null):F-9999 (7) other bump:1.65836 Ang OG1(43) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (5) and CD1(58) at 8.43616 -0.733032 0.868199 in (null):F-9999 (7) other bump:2.70376 Ang O(19) at 7.858 -6.255 1.167 in (null):H-9999 (2) and CA(47) at 10.217 -5.748 2.387 in (null):L-9999 (6) Number of specific fragments= 1 total=773 # 1dw0A.67.67 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 67 :KHRTTLFGM 1dw0A 68 :PSATPDRFT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.543 Ang OG1(36) at 34.268 19.438 101.317 in (null):T-9999 (4) and CZ(62) at 32.0682 19.5348 100.045 in (null):F-9999 (7) other bump:2.91049 Ang CG2(35) at 33.832 21.745 100.734 in (null):T-9999 (4) and CZ(62) at 32.0682 19.5348 100.045 in (null):F-9999 (7) other bump:1.78149 Ang OG1(36) at 34.268 19.438 101.317 in (null):T-9999 (4) and CE1(60) at 33.4259 19.5231 99.7494 in (null):F-9999 (7) other bump:2.46396 Ang CG2(35) at 33.832 21.745 100.734 in (null):T-9999 (4) and CE1(60) at 33.4259 19.5231 99.7494 in (null):F-9999 (7) other bump:3.06015 Ang CA(33) at 36.158 20.789 100.295 in (null):T-9999 (4) and CE1(60) at 33.4259 19.5231 99.7494 in (null):F-9999 (7) other bump:2.32448 Ang CB(34) at 34.872 20.734 101.108 in (null):T-9999 (4) and CE1(60) at 33.4259 19.5231 99.7494 in (null):F-9999 (7) other bump:2.53358 Ang OG1(36) at 34.268 19.438 101.317 in (null):T-9999 (4) and CD1(58) at 33.9621 18.4799 98.9916 in (null):F-9999 (7) other bump:2.21014 Ang O(37) at 36.163 18.635 99.121 in (null):T-9999 (4) and CD1(58) at 33.9621 18.4799 98.9916 in (null):F-9999 (7) Number of specific fragments= 1 total=774 # 2gsq.68.68 read from T0136.t2k.frag # found chain 2gsq in template set T0136 68 :HRTTLFGMD 2gsq 69 :HLAREFGLD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91375 Ang CG2(26) at 31.0266 43.3714 6.71495 in (null):T-9999 (3) and N(68) at 33.403 44.662 5.63 in (null):D-9999 (9) other bump:2.66994 Ang CG2(26) at 31.0266 43.3714 6.71495 in (null):T-9999 (3) and C(67) at 33.664 43.748 6.539 in (null):M-9999 (8) other bump:2.71154 Ang CG2(26) at 31.0266 43.3714 6.71495 in (null):T-9999 (3) and O(66) at 33.581 42.539 6.348 in (null):M-9999 (8) Number of specific fragments= 1 total=775 # 1lre.68.68 read from T0136.t2k.frag # found chain 1lre in template set T0136 68 :HRTTLFGMD 1lre 85 :LAKYGLDGK Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.99622 Ang N(12) at 6.437 -6.662 -0.456 in (null):R-9999 (2) and CE(65) at 5.59608 -7.04243 1.31403 in (null):M-9999 (8) other bump:2.29159 Ang CA(3) at 5.962 -4.802 1.001 in (null):H-9999 (1) and CE(65) at 5.59608 -7.04243 1.31403 in (null):M-9999 (8) other bump:1.79156 Ang C(11) at 6.835 -5.978 0.578 in (null):H-9999 (1) and CE(65) at 5.59608 -7.04243 1.31403 in (null):M-9999 (8) other bump:2.17412 Ang CB(4) at 4.88693 -5.14505 2.10389 in (null):H-9999 (1) and CE(65) at 5.59608 -7.04243 1.31403 in (null):M-9999 (8) other bump:2.90154 Ang CA(13) at 7.245 -7.812 -0.946 in (null):R-9999 (2) and CE(65) at 5.59608 -7.04243 1.31403 in (null):M-9999 (8) other bump:2.39957 Ang O(10) at 7.858 -6.255 1.167 in (null):H-9999 (1) and CE(65) at 5.59608 -7.04243 1.31403 in (null):M-9999 (8) other bump:2.59462 Ang N(12) at 6.437 -6.662 -0.456 in (null):R-9999 (2) and SD(64) at 6.57771 -8.56331 1.30391 in (null):M-9999 (8) other bump:3.04769 Ang CB(14) at 6.24544 -8.72644 -1.72122 in (null):R-9999 (2) and SD(64) at 6.57771 -8.56331 1.30391 in (null):M-9999 (8) other bump:2.69758 Ang C(11) at 6.835 -5.978 0.578 in (null):H-9999 (1) and SD(64) at 6.57771 -8.56331 1.30391 in (null):M-9999 (8) other bump:2.46411 Ang CA(13) at 7.245 -7.812 -0.946 in (null):R-9999 (2) and SD(64) at 6.57771 -8.56331 1.30391 in (null):M-9999 (8) other bump:2.64313 Ang O(10) at 7.858 -6.255 1.167 in (null):H-9999 (1) and SD(64) at 6.57771 -8.56331 1.30391 in (null):M-9999 (8) other bump:3.01238 Ang ND1(7) at 5.01319 -3.64071 4.11746 in (null):H-9999 (1) and CA(57) at 6.747 -4.658 6.361 in (null):G-9999 (7) other bump:2.69008 Ang ND1(7) at 5.01319 -3.64071 4.11746 in (null):H-9999 (1) and N(56) at 7.447 -4.125 5.156 in (null):G-9999 (7) other bump:2.37695 Ang CB(32) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (4) and CE1(51) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (6) other bump:2.12403 Ang OG1(34) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (4) and CE1(51) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (6) other bump:2.65673 Ang CG2(33) at 10.2304 -1.39348 -1.94616 in (null):T-9999 (4) and CE1(51) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (6) other bump:2.53522 Ang CB(32) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (4) and CD1(49) at 8.43616 -0.733032 0.868199 in (null):F-9999 (6) other bump:1.65836 Ang OG1(34) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (4) and CD1(49) at 8.43616 -0.733032 0.868199 in (null):F-9999 (6) other bump:2.70376 Ang O(10) at 7.858 -6.255 1.167 in (null):H-9999 (1) and CA(38) at 10.217 -5.748 2.387 in (null):L-9999 (5) Number of specific fragments= 1 total=776 # 1bc5A.68.72 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 68 :HRTTLFGMD 1bc5A 88 :ALTTNLTAF 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 # 1fc4A.68.71 read from T0136.t2k.frag # found chain 1fc4A in template set T0136 68 :HRTTLFGMD 1fc4A 69 :MDSHGFGMA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=778 # 1dw0A.68.68 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 68 :HRTTLFGMD 1dw0A 69 :SATPDRFTD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75193 Ang CA(38) at 37.33 14.921 100.8 in (null):L-9999 (5) and SD(64) at 38.5116 12.9274 99.316 in (null):M-9999 (8) other bump:2.91049 Ang CG2(26) at 33.832 21.745 100.734 in (null):T-9999 (3) and CZ(53) at 32.0682 19.5348 100.045 in (null):F-9999 (6) other bump:2.543 Ang OG1(27) at 34.268 19.438 101.317 in (null):T-9999 (3) and CZ(53) at 32.0682 19.5348 100.045 in (null):F-9999 (6) other bump:2.46396 Ang CG2(26) at 33.832 21.745 100.734 in (null):T-9999 (3) and CE1(51) at 33.4259 19.5231 99.7494 in (null):F-9999 (6) other bump:1.78149 Ang OG1(27) at 34.268 19.438 101.317 in (null):T-9999 (3) and CE1(51) at 33.4259 19.5231 99.7494 in (null):F-9999 (6) other bump:3.06015 Ang CA(24) at 36.158 20.789 100.295 in (null):T-9999 (3) and CE1(51) at 33.4259 19.5231 99.7494 in (null):F-9999 (6) other bump:2.32448 Ang CB(25) at 34.872 20.734 101.108 in (null):T-9999 (3) and CE1(51) at 33.4259 19.5231 99.7494 in (null):F-9999 (6) other bump:2.53358 Ang OG1(27) at 34.268 19.438 101.317 in (null):T-9999 (3) and CD1(49) at 33.9621 18.4799 98.9916 in (null):F-9999 (6) other bump:2.21014 Ang O(28) at 36.163 18.635 99.121 in (null):T-9999 (3) and CD1(49) at 33.9621 18.4799 98.9916 in (null):F-9999 (6) Number of specific fragments= 1 total=779 # 1urnA.68.68 read from T0136.t2k.frag # adding 1urnA to template set 1urnA:# found chain 1urnA in template set T0136 68 :HRTTLFGMD 1urnA 70 :RSMQGFPFY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56857 Ang C(36) at 43.869 31.193 35.825 in (null):T-9999 (4) and CB(39) at 45.7235 31.426 37.5868 in (null):L-9999 (5) neighbor-bump: 3.1219 Ang CG2(33) at 42.9936 29.2927 37.0678 in (null):T-9999 (4) and CA(38) at 44.171 31.983 38.127 in (null):L-9999 (5) neighbor-bump: 1.99181 Ang CG2(33) at 42.9936 29.2927 37.0678 in (null):T-9999 (4) and N(37) at 43.455 31.23 37.101 in (null):L-9999 (5) self-bump: 1.26311 Ang CA(31) at 43 30.322 34.892 in (null):T-9999 (4) and CB(32) at 42.5769 29.3745 35.6122 in (null):T-9999 (4) Number of specific fragments= 1 total=780 # 2gsq.69.69 read from T0136.t2k.frag # found chain 2gsq in template set T0136 69 :RTTLFGMDK 2gsq 70 :LAREFGLDG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91376 Ang CG2(16) at 31.0266 43.3714 6.71496 in (null):T-9999 (2) and N(58) at 33.403 44.662 5.63 in (null):D-9999 (8) other bump:2.66995 Ang CG2(16) at 31.0266 43.3714 6.71496 in (null):T-9999 (2) and C(57) at 33.664 43.748 6.539 in (null):M-9999 (7) other bump:2.71154 Ang CG2(16) at 31.0266 43.3714 6.71496 in (null):T-9999 (2) and O(56) at 33.581 42.539 6.348 in (null):M-9999 (7) Number of specific fragments= 1 total=781 # 1lre.69.69 read from T0136.t2k.frag # found chain 1lre in template set T0136 69 :RTTLFGMDK 1lre 86 :AKYGLDGKK Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44309 Ang CD1(31) at 13.375 -8.00558 1.92037 in (null):L-9999 (4) and NZ(72) at 13.254 -9.002 -0.307 in (null):K-9999 (9) other bump:2.91569 Ang CG(30) at 11.9483 -7.53619 1.6665 in (null):L-9999 (4) and CE(71) at 12.224 -9.99 0.116 in (null):K-9999 (9) other bump:2.91865 Ang CD1(31) at 13.375 -8.00558 1.92037 in (null):L-9999 (4) and CE(71) at 12.224 -9.99 0.116 in (null):K-9999 (9) other bump:2.52327 Ang CD2(32) at 10.9629 -8.67792 1.86387 in (null):L-9999 (4) and CE(71) at 12.224 -9.99 0.116 in (null):K-9999 (9) other bump:2.00236 Ang CG(30) at 11.9483 -7.53619 1.6665 in (null):L-9999 (4) and CD(70) at 11.781 -9.525 1.505 in (null):K-9999 (9) other bump:2.241 Ang CD1(31) at 13.375 -8.00558 1.92037 in (null):L-9999 (4) and CD(70) at 11.781 -9.525 1.505 in (null):K-9999 (9) other bump:1.23109 Ang CD2(32) at 10.9629 -8.67792 1.86387 in (null):L-9999 (4) and CD(70) at 11.781 -9.525 1.505 in (null):K-9999 (9) other bump:2.32937 Ang CD2(32) at 10.9629 -8.67792 1.86387 in (null):L-9999 (4) and CG(69) at 12.029 -10.641 2.524 in (null):K-9999 (9) other bump:3.11349 Ang CD2(32) at 10.9629 -8.67792 1.86387 in (null):L-9999 (4) and CB(68) at 11.003 -11.758 2.317 in (null):K-9999 (9) other bump:1.99622 Ang N(2) at 6.437 -6.662 -0.456 in (null):R-9999 (1) and CE(55) at 5.59608 -7.04243 1.31403 in (null):M-9999 (7) other bump:1.79156 Ang C(1) at 6.835 -5.978 0.578 in (null):G-9999 (0) and CE(55) at 5.59608 -7.04243 1.31403 in (null):M-9999 (7) other bump:2.90154 Ang CA(3) at 7.245 -7.812 -0.946 in (null):R-9999 (1) and CE(55) at 5.59608 -7.04243 1.31403 in (null):M-9999 (7) other bump:2.39957 Ang O(0) at 7.858 -6.255 1.167 in (null):G-9999 (0) and CE(55) at 5.59608 -7.04243 1.31403 in (null):M-9999 (7) other bump:2.59462 Ang N(2) at 6.437 -6.662 -0.456 in (null):R-9999 (1) and SD(54) at 6.57771 -8.56331 1.30391 in (null):M-9999 (7) other bump:2.69758 Ang C(1) at 6.835 -5.978 0.578 in (null):G-9999 (0) and SD(54) at 6.57771 -8.56331 1.30391 in (null):M-9999 (7) other bump:2.46411 Ang CA(3) at 7.245 -7.812 -0.946 in (null):R-9999 (1) and SD(54) at 6.57771 -8.56331 1.30391 in (null):M-9999 (7) other bump:2.64313 Ang O(0) at 7.858 -6.255 1.167 in (null):G-9999 (0) and SD(54) at 6.57771 -8.56331 1.30391 in (null):M-9999 (7) other bump:2.65673 Ang CG2(23) at 10.2304 -1.39348 -1.94616 in (null):T-9999 (3) and CE1(41) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (5) other bump:2.37695 Ang CB(22) at 10.0602 -2.03808 -0.576311 in (null):T-9999 (3) and CE1(41) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (5) other bump:2.12403 Ang OG1(24) at 8.67983 -1.98989 -0.185893 in (null):T-9999 (3) and CE1(41) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (5) other bump:2.53522 Ang CB(22) at 10.0602 -2.03808 -0.576311 in (null):T-9999 (3) and CD1(39) at 8.43616 -0.733032 0.868199 in (null):F-9999 (5) other bump:1.65836 Ang OG1(24) at 8.67983 -1.98989 -0.185893 in (null):T-9999 (3) and CD1(39) at 8.43616 -0.733032 0.868199 in (null):F-9999 (5) other bump:2.70376 Ang O(0) at 7.858 -6.255 1.167 in (null):G-9999 (0) and CA(28) at 10.217 -5.748 2.387 in (null):L-9999 (4) Number of specific fragments= 1 total=782 # 1dw0A.69.69 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 69 :RTTLFGMDK 1dw0A 70 :ATPDRFTDS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75193 Ang CA(28) at 37.33 14.921 100.8 in (null):L-9999 (4) and SD(54) at 38.5116 12.9274 99.316 in (null):M-9999 (7) other bump:2.543 Ang OG1(17) at 34.268 19.438 101.317 in (null):T-9999 (2) and CZ(43) at 32.0682 19.5348 100.045 in (null):F-9999 (5) other bump:2.91049 Ang CG2(16) at 33.832 21.745 100.734 in (null):T-9999 (2) and CZ(43) at 32.0682 19.5348 100.045 in (null):F-9999 (5) other bump:3.06015 Ang CA(14) at 36.158 20.789 100.295 in (null):T-9999 (2) and CE1(41) at 33.4259 19.5231 99.7494 in (null):F-9999 (5) other bump:2.32448 Ang CB(15) at 34.872 20.734 101.108 in (null):T-9999 (2) and CE1(41) at 33.4259 19.5231 99.7494 in (null):F-9999 (5) other bump:1.78149 Ang OG1(17) at 34.268 19.438 101.317 in (null):T-9999 (2) and CE1(41) at 33.4259 19.5231 99.7494 in (null):F-9999 (5) other bump:2.46396 Ang CG2(16) at 33.832 21.745 100.734 in (null):T-9999 (2) and CE1(41) at 33.4259 19.5231 99.7494 in (null):F-9999 (5) other bump:2.21014 Ang O(18) at 36.163 18.635 99.121 in (null):T-9999 (2) and CD1(39) at 33.9621 18.4799 98.9916 in (null):F-9999 (5) other bump:2.53358 Ang OG1(17) at 34.268 19.438 101.317 in (null):T-9999 (2) and CD1(39) at 33.9621 18.4799 98.9916 in (null):F-9999 (5) Number of specific fragments= 1 total=783 # 1bc5A.69.73 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 69 :RTTLFGMDK 1bc5A 89 :LTTNLTAFF 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 # 1urnA.69.69 read from T0136.t2k.frag # found chain 1urnA in template set T0136 69 :RTTLFGMDK 1urnA 71 :SMQGFPFYD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56856 Ang C(26) at 43.869 31.193 35.825 in (null):T-9999 (3) and CB(29) at 45.7235 31.426 37.5868 in (null):L-9999 (4) neighbor-bump: 3.12188 Ang CG2(23) at 42.9935 29.2927 37.0678 in (null):T-9999 (3) and CA(28) at 44.171 31.983 38.127 in (null):L-9999 (4) neighbor-bump: 1.99179 Ang CG2(23) at 42.9935 29.2927 37.0678 in (null):T-9999 (3) and N(27) at 43.455 31.23 37.101 in (null):L-9999 (4) self-bump: 1.26311 Ang CA(21) at 43 30.322 34.892 in (null):T-9999 (3) and CB(22) at 42.5769 29.3745 35.6122 in (null):T-9999 (3) Number of specific fragments= 1 total=785 # 1fc4A.69.72 read from T0136.t2k.frag # found chain 1fc4A in template set T0136 69 :RTTLFGMDK 1fc4A 70 :DSHGFGMAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42542 Ang O(64) at -2.967 46.384 43.522 in (null):D-9999 (8) and CG(69) at -2.86502 44.1331 44.4195 in (null):K-9999 (9) Number of specific fragments= 1 total=786 # 2gsq.70.70 read from T0136.t2k.frag # found chain 2gsq in template set T0136 70 :TTLFGMDKA 2gsq 71 :AREFGLDGK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91376 Ang CG2(5) at 31.0266 43.3714 6.71496 in (null):T-9999 (1) and N(47) at 33.403 44.662 5.63 in (null):D-9999 (7) other bump:2.66994 Ang CG2(5) at 31.0266 43.3714 6.71496 in (null):T-9999 (1) and C(46) at 33.664 43.748 6.539 in (null):M-9999 (6) other bump:2.71154 Ang CG2(5) at 31.0266 43.3714 6.71496 in (null):T-9999 (1) and O(45) at 33.581 42.539 6.348 in (null):M-9999 (6) Number of specific fragments= 1 total=787 # 1lre.70.70 read from T0136.t2k.frag # found chain 1lre in template set T0136 70 :TTLFGMDKA 1lre 87 :KYGLDGKKD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44309 Ang CD1(20) at 13.375 -8.00558 1.92037 in (null):L-9999 (3) and NZ(61) at 13.254 -9.002 -0.307 in (null):K-9999 (8) other bump:2.52327 Ang CD2(21) at 10.9629 -8.67792 1.86387 in (null):L-9999 (3) and CE(60) at 12.224 -9.99 0.116 in (null):K-9999 (8) other bump:2.91866 Ang CD1(20) at 13.375 -8.00558 1.92037 in (null):L-9999 (3) and CE(60) at 12.224 -9.99 0.116 in (null):K-9999 (8) other bump:2.91569 Ang CG(19) at 11.9483 -7.53618 1.66649 in (null):L-9999 (3) and CE(60) at 12.224 -9.99 0.116 in (null):K-9999 (8) other bump:1.23108 Ang CD2(21) at 10.9629 -8.67792 1.86387 in (null):L-9999 (3) and CD(59) at 11.781 -9.525 1.505 in (null):K-9999 (8) other bump:2.241 Ang CD1(20) at 13.375 -8.00558 1.92037 in (null):L-9999 (3) and CD(59) at 11.781 -9.525 1.505 in (null):K-9999 (8) other bump:2.00236 Ang CG(19) at 11.9483 -7.53618 1.66649 in (null):L-9999 (3) and CD(59) at 11.781 -9.525 1.505 in (null):K-9999 (8) other bump:2.32937 Ang CD2(21) at 10.9629 -8.67792 1.86387 in (null):L-9999 (3) and CG(58) at 12.029 -10.641 2.524 in (null):K-9999 (8) other bump:3.11349 Ang CD2(21) at 10.9629 -8.67792 1.86387 in (null):L-9999 (3) and CB(57) at 11.003 -11.758 2.317 in (null):K-9999 (8) other bump:2.65673 Ang CG2(12) at 10.2304 -1.39348 -1.94616 in (null):T-9999 (2) and CE1(30) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (4) other bump:2.37695 Ang CB(11) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (2) and CE1(30) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (4) other bump:2.12403 Ang OG1(13) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (2) and CE1(30) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (4) other bump:2.53522 Ang CB(11) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (2) and CD1(28) at 8.43616 -0.733032 0.868199 in (null):F-9999 (4) other bump:1.65836 Ang OG1(13) at 8.67982 -1.98989 -0.185891 in (null):T-9999 (2) and CD1(28) at 8.43616 -0.733032 0.868199 in (null):F-9999 (4) Number of specific fragments= 1 total=788 # 1dw0A.70.70 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 70 :TTLFGMDKA 1dw0A 71 :TPDRFTDSA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75193 Ang CA(17) at 37.33 14.921 100.8 in (null):L-9999 (3) and SD(43) at 38.5116 12.9274 99.316 in (null):M-9999 (6) other bump:2.543 Ang OG1(6) at 34.268 19.438 101.317 in (null):T-9999 (1) and CZ(32) at 32.0682 19.5348 100.045 in (null):F-9999 (4) other bump:2.91049 Ang CG2(5) at 33.832 21.745 100.734 in (null):T-9999 (1) and CZ(32) at 32.0682 19.5348 100.045 in (null):F-9999 (4) other bump:1.78149 Ang OG1(6) at 34.268 19.438 101.317 in (null):T-9999 (1) and CE1(30) at 33.4259 19.5231 99.7494 in (null):F-9999 (4) other bump:3.06015 Ang CA(3) at 36.158 20.789 100.295 in (null):T-9999 (1) and CE1(30) at 33.4259 19.5231 99.7494 in (null):F-9999 (4) other bump:2.32448 Ang CB(4) at 34.872 20.734 101.108 in (null):T-9999 (1) and CE1(30) at 33.4259 19.5231 99.7494 in (null):F-9999 (4) other bump:2.46396 Ang CG2(5) at 33.832 21.745 100.734 in (null):T-9999 (1) and CE1(30) at 33.4259 19.5231 99.7494 in (null):F-9999 (4) other bump:2.21014 Ang O(7) at 36.163 18.635 99.121 in (null):T-9999 (1) and CD1(28) at 33.9621 18.4799 98.9916 in (null):F-9999 (4) other bump:2.53358 Ang OG1(6) at 34.268 19.438 101.317 in (null):T-9999 (1) and CD1(28) at 33.9621 18.4799 98.9916 in (null):F-9999 (4) Number of specific fragments= 1 total=789 # 1urnA.70.70 read from T0136.t2k.frag # found chain 1urnA in template set T0136 70 :TTLFGMDKA 1urnA 72 :MQGFPFYDK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56856 Ang C(15) at 43.869 31.193 35.825 in (null):T-9999 (2) and CB(18) at 45.7235 31.426 37.5868 in (null):L-9999 (3) neighbor-bump: 3.12189 Ang CG2(12) at 42.9935 29.2927 37.0678 in (null):T-9999 (2) and CA(17) at 44.171 31.983 38.127 in (null):L-9999 (3) neighbor-bump: 1.9918 Ang CG2(12) at 42.9935 29.2927 37.0678 in (null):T-9999 (2) and N(16) at 43.455 31.23 37.101 in (null):L-9999 (3) self-bump: 1.26311 Ang CA(10) at 43 30.322 34.892 in (null):T-9999 (2) and CB(11) at 42.5769 29.3745 35.6122 in (null):T-9999 (2) Number of specific fragments= 1 total=790 # 1fc4A.70.73 read from T0136.t2k.frag # found chain 1fc4A in template set T0136 70 :TTLFGMDKA 1fc4A 71 :SHGFGMASV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42542 Ang O(53) at -2.967 46.384 43.522 in (null):D-9999 (7) and CG(58) at -2.86502 44.1331 44.4195 in (null):K-9999 (8) Number of specific fragments= 1 total=791 # 1bc5A.70.74 read from T0136.t2k.frag # found chain 1bc5A in template set T0136 70 :TTLFGMDKA 1bc5A 90 :TTNLTAFFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=792 # 2gsq.71.71 read from T0136.t2k.frag # found chain 2gsq in template set T0136 71 :TLFGMDKAV 2gsq 72 :REFGLDGKT 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 # 1lre.71.71 read from T0136.t2k.frag # found chain 1lre in template set T0136 71 :TLFGMDKAV 1lre 88 :YGLDGKKDA Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44309 Ang CD1(13) at 13.375 -8.00558 1.92037 in (null):L-9999 (2) and NZ(54) at 13.254 -9.002 -0.307 in (null):K-9999 (7) other bump:2.91569 Ang CG(12) at 11.9483 -7.53618 1.6665 in (null):L-9999 (2) and CE(53) at 12.224 -9.99 0.116 in (null):K-9999 (7) other bump:2.91866 Ang CD1(13) at 13.375 -8.00558 1.92037 in (null):L-9999 (2) and CE(53) at 12.224 -9.99 0.116 in (null):K-9999 (7) other bump:2.52327 Ang CD2(14) at 10.9629 -8.67792 1.86387 in (null):L-9999 (2) and CE(53) at 12.224 -9.99 0.116 in (null):K-9999 (7) other bump:2.00236 Ang CG(12) at 11.9483 -7.53618 1.6665 in (null):L-9999 (2) and CD(52) at 11.781 -9.525 1.505 in (null):K-9999 (7) other bump:2.241 Ang CD1(13) at 13.375 -8.00558 1.92037 in (null):L-9999 (2) and CD(52) at 11.781 -9.525 1.505 in (null):K-9999 (7) other bump:1.23108 Ang CD2(14) at 10.9629 -8.67792 1.86387 in (null):L-9999 (2) and CD(52) at 11.781 -9.525 1.505 in (null):K-9999 (7) other bump:2.32937 Ang CD2(14) at 10.9629 -8.67792 1.86387 in (null):L-9999 (2) and CG(51) at 12.029 -10.641 2.524 in (null):K-9999 (7) other bump:3.11349 Ang CD2(14) at 10.9629 -8.67792 1.86387 in (null):L-9999 (2) and CB(50) at 11.003 -11.758 2.317 in (null):K-9999 (7) other bump:2.12403 Ang OG1(6) at 8.67982 -1.98989 -0.185892 in (null):T-9999 (1) and CE1(23) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (3) other bump:2.37695 Ang CB(4) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (1) and CE1(23) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (3) other bump:2.65673 Ang CG2(5) at 10.2304 -1.39348 -1.94616 in (null):T-9999 (1) and CE1(23) at 9.13055 0.0797844 -0.0283641 in (null):F-9999 (3) other bump:1.65836 Ang OG1(6) at 8.67982 -1.98989 -0.185892 in (null):T-9999 (1) and CD1(21) at 8.43616 -0.733032 0.868199 in (null):F-9999 (3) other bump:2.53522 Ang CB(4) at 10.0602 -2.03808 -0.57631 in (null):T-9999 (1) and CD1(21) at 8.43616 -0.733032 0.868199 in (null):F-9999 (3) Number of specific fragments= 1 total=794 # 1urnA.71.71 read from T0136.t2k.frag # found chain 1urnA in template set T0136 71 :TLFGMDKAV 1urnA 73 :QGFPFYDKP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49377 Ang CA(10) at 44.171 31.983 38.127 in (null):L-9999 (2) and CG1(65) at 44.1254 32.4645 40.5734 in (null):V-9999 (9) other bump:2.65127 Ang C(16) at 44.097 33.486 38.127 in (null):L-9999 (2) and CG1(65) at 44.1254 32.4645 40.5734 in (null):V-9999 (9) neighbor-bump: 2.56857 Ang C(8) at 43.869 31.193 35.825 in (null):T-9999 (1) and CB(11) at 45.7235 31.426 37.5868 in (null):L-9999 (2) Number of specific fragments= 1 total=795 # 1dw0A.71.71 read from T0136.t2k.frag # found chain 1dw0A in template set T0136 71 :TLFGMDKAV 1dw0A 72 :PDRFTDSAR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75193 Ang CA(10) at 37.33 14.921 100.8 in (null):L-9999 (2) and SD(36) at 38.5116 12.9274 99.316 in (null):M-9999 (5) other bump:2.21014 Ang O(0) at 36.163 18.635 99.121 in (null):G-9999 (0) and CD1(21) at 33.9621 18.4799 98.9916 in (null):F-9999 (3) Number of specific fragments= 1 total=796 # 1fc4A.71.74 read from T0136.t2k.frag # found chain 1fc4A in template set T0136 71 :TLFGMDKAV 1fc4A 72 :HGFGMASVR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42542 Ang O(46) at -2.967 46.384 43.522 in (null):D-9999 (6) and CG(51) at -2.86502 44.1331 44.4195 in (null):K-9999 (7) Number of specific fragments= 1 total=797 # 1qk9A.71.71 read from T0136.t2k.frag # adding 1qk9A to template set 1qk9A:# found chain 1qk9A in template set T0136 71 :TLFGMDKAV 1qk9A 72 :TSLDPNDFD Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35958 Ang CD1(21) at 8.90834 1.41641 5.82819 in (null):F-9999 (3) and N(32) at 7.37 -0.114 6.755 in (null):M-9999 (5) other bump:2.33246 Ang CE1(23) at 9.57754 0.638587 6.78204 in (null):F-9999 (3) and N(32) at 7.37 -0.114 6.755 in (null):M-9999 (5) neighbor-bump: 2.33834 Ang CD1(21) at 8.90834 1.41641 5.82819 in (null):F-9999 (3) and C(31) at 7.032 1.112 7.19 in (null):G-9999 (4) neighbor-bump: 2.62113 Ang CE1(23) at 9.57754 0.638587 6.78204 in (null):F-9999 (3) and C(31) at 7.032 1.112 7.19 in (null):G-9999 (4) neighbor-bump: 1.96923 Ang CD1(21) at 8.90834 1.41641 5.82819 in (null):F-9999 (3) and CA(29) at 8.162 2.081 7.525 in (null):G-9999 (4) neighbor-bump: 2.15321 Ang CE1(23) at 9.57754 0.638587 6.78204 in (null):F-9999 (3) and CA(29) at 8.162 2.081 7.525 in (null):G-9999 (4) neighbor-bump: 2.99476 Ang CZ(25) at 10.9009 0.939515 7.12003 in (null):F-9999 (3) and CA(29) at 8.162 2.081 7.525 in (null):G-9999 (4) neighbor-bump: 2.72881 Ang CG(20) at 9.54797 2.48939 5.21012 in (null):F-9999 (3) and CA(29) at 8.162 2.081 7.525 in (null):G-9999 (4) neighbor-bump: 1.80933 Ang CD1(21) at 8.90834 1.41641 5.82819 in (null):F-9999 (3) and N(28) at 8.359 3.03 6.435 in (null):G-9999 (4) neighbor-bump: 2.70632 Ang CE1(23) at 9.57754 0.638587 6.78204 in (null):F-9999 (3) and N(28) at 8.359 3.03 6.435 in (null):G-9999 (4) neighbor-bump: 2.33886 Ang CB(19) at 8.83244 3.31381 4.16221 in (null):F-9999 (3) and N(28) at 8.359 3.03 6.435 in (null):G-9999 (4) neighbor-bump: 1.7906 Ang CG(20) at 9.54797 2.48939 5.21012 in (null):F-9999 (3) and N(28) at 8.359 3.03 6.435 in (null):G-9999 (4) neighbor-bump: 2.67358 Ang CD2(22) at 10.8723 2.7785 5.55857 in (null):F-9999 (3) and N(28) at 8.359 3.03 6.435 in (null):G-9999 (4) Number of specific fragments= 1 total=798 # command:# Prefix for output files set to # command:Error: unrecognized command PrintemplateAtoms skipped # command:# Prefix for output files set to decoys/ # command:CPU_time= 143000 msec, elapsed time= 175039 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-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 # jumping subtree containing T0136:A 1 (0) jump= -0.740042 0.177174 0.301146 -0.574681 -19.0766 -4.5585 2.94837 # generation 1: best score out of 40: T0136.try1-al10 70.8894 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 19 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 1 ## 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 70.0946 cost/residue, 55 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 40 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1 69.1939 cost/residue, 59 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 58 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1 68.8165 cost/residue, 72 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 26 ## InsertFragment 78 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1 68.5266 cost/residue, 67 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 88 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 50 # generation 6: best score out of 40: T0136.try1 68.3538 cost/residue, 97 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 99 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 10 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1 67.5727 cost/residue, 104 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 112 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 9 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 22 # generation 8: best score out of 40: T0136.try1 67.2815 cost/residue, 84 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 130 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 11 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1 67.1433 cost/residue, 81 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 43 ## InsertFragment 141 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 16 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1 66.919 cost/residue, 89 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 155 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 18 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1 66.919 cost/residue, 89 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 169 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 17 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 23 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1 65.6077 cost/residue, 91 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 183 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 18 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 27 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 21 # Removing break before 55 # generation 13: best score out of 40: T0136.try1 65.5527 cost/residue, 93 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 205 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 28 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1 64.9146 cost/residue, 69 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 217 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 32 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.719677 0.236054 0.282656 0.588599 -34.9642 15.4843 19.2526 # generation 15: best score out of 40: T0136.try1 64.9146 cost/residue, 69 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 229 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 36 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 22 # generation 16: best score out of 40: T0136.try1 63.8674 cost/residue, 75 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 238 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 40 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1 63.8674 cost/residue, 75 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 56 ## InsertFragment 253 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 24 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 43 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 22 # generation 18: best score out of 40: T0136.try1 63.8674 cost/residue, 75 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 264 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 25 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 50 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 22 # generation 19: best score out of 40: T0136.try1 63.8104 cost/residue, 97 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 273 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 27 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 57 ## OptSubtree 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 22 # generation 20: best score out of 40: T0136.try1 63.546 cost/residue, 90 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 58 ## InsertFragment 286 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 64 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.909104 0.134912 0.0873888 0.384307 -22.5877 33.0822 -0.805285 # Removing break before 22 # Removing break before 22 # generation 21: best score out of 40: T0136.try1 63.1633 cost/residue, 98 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 291 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 72 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 51 (50) jump= -0.968316 0.0618458 0.194672 -0.143672 -3.36645 16.3394 16.7606 # generation 22: best score out of 40: T0136.try1 63.1146 cost/residue, 75 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 297 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 83 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 22 # Removing break before 65 # Removing break before 22 # jumping subtree containing T0136:R 66 (65) jump= 0.172449 -0.458008 -0.739312 -0.462501 -81.8711 76.6337 1.94897 # jumping subtree containing T0136:R 69 (68) jump= 0.866102 0.266009 -0.410173 -0.104238 -2.73755 13.9669 -14.5252 # generation 23: best score out of 40: T0136.try1 63.1146 cost/residue, 75 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 302 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 93 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 69 # jumping subtree containing T0136:V 79 (78) jump= 0.997306 0.054624 -5.26417e-05 -0.048955 -0.783018 -12.8743 3.671 # Removing break before 22 # generation 24: best score out of 40: T0136.try1 62.5122 cost/residue, 100 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 306 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 103 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.99783 -0.0247579 -0.0556247 0.025066 11.0419 -9.88053 -24.1255 # generation 25: best score out of 40: T0136.try1 62.4933 cost/residue, 85 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 312 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 29 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 117 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.585053 0.581424 0.475332 0.306136 -21.0452 -4.05857 66.739 # generation 26: best score out of 40: T0136.try1 61.8564 cost/residue, 101 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 322 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 29 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 128 ## OptSubtree 55 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.677329 0.605125 -0.0581807 -0.414324 17.7528 56.323 25.3888 # generation 27: best score out of 40: T0136.try1 61.8564 cost/residue, 101 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 327 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 29 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 142 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:R 23 (22) jump= 0.97925 0.03839 0.098248 0.173042 -20.687 -5.11121 -0.796237 # Removing break before 28 # Removing break before 28 # generation 28: best score out of 40: T0136.try1 61.7971 cost/residue, 124 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 337 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 29 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 155 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:G 29 (28) jump= 0.763128 0.209866 0.340153 -0.507827 -37.6616 -5.66452 -31.662 # generation 29: best score out of 40: T0136.try1 61.7784 cost/residue, 103 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 341 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 30 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 166 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.687109 0.222355 -0.0786004 0.687213 -24.8758 14.449 4.00804 # jumping subtree containing T0136:V 79 (78) jump= 0.620453 0.281334 0.491882 0.542164 -60.2667 22.3897 -15.2433 # Removing break before 28 # jumping subtree containing T0136:A 1 (0) jump= -0.160632 -0.642772 -0.745302 0.0746099 -38.5331 41.8893 3.79389 # Removing break before 28 # Removing break before 28 # generation 30: best score out of 40: T0136.try1 61.7784 cost/residue, 103 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 341 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 30 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 182 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= 0.248292 -0.67111 -0.0706632 -0.69496 -15.0578 -28.8256 9.22138 # jumping subtree containing T0136:G 29 (28) jump= 0.394874 -0.476327 -0.750933 0.230839 -7.09281 -12.597 14.4741 # generation 31: best score out of 40: T0136.try1 61.5058 cost/residue, 107 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 342 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 30 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 197 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:A 1 (0) jump= 0.363842 0.77841 0.476976 -0.184908 -35.368 60.5074 -4.6031 # Removing break before 28 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:A 1 (0) jump= 0.927899 -0.172693 -0.330151 -0.0134465 -20.7552 2.99127 20.6757 # Removing break before 28 # generation 32: best score out of 40: T0136.try1 61.5058 cost/residue, 107 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 343 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 30 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 212 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.886635 -0.434311 -0.0869357 0.13302 -19.893 7.6184 1.20993 # Removing break before 28 # generation 33: best score out of 40: T0136.try1 61.5058 cost/residue, 107 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 345 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 228 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.550063 0.741207 0.337595 0.184588 -8.88214 31.3706 30.2215 # Removing break before 28 # generation 34: best score out of 40: T0136.try1 61.5058 cost/residue, 107 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 345 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 246 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= 0.872129 -0.387782 -0.298333 0.00375977 -1.97021 9.46556 24.3033 # generation 35: best score out of 40: T0136.try1 61.5021 cost/residue, 107 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 346 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 260 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 28 # generation 36: best score out of 40: T0136.try1 61.4381 cost/residue, 120 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 347 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 273 ## OptSubtree 130 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.626013 0.676376 0.265044 -0.283506 -7.04529 17.6192 3.51356 # Removing break before 28 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:D 60 (59) jump= -0.172262 0.646297 -0.428765 0.607278 -41.2499 47.7142 59.6262 # generation 37: best score out of 40: T0136.try1 61.4381 cost/residue, 120 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 347 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 291 ## OptSubtree 137 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= -0.595239 0.457024 0.546451 -0.371765 62.2973 -7.78965 65.4736 # Removing break before 28 # Removing break before 28 # Removing break before 28 # Removing break before 28 # Removing break before 28 # Removing break before 28 # generation 38: best score out of 40: T0136.try1 61.3716 cost/residue, 118 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 348 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 312 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.92192 0.361334 0.00916794 0.139342 -29.0805 -1.67183 44.5493 # jumping subtree containing T0136:A 1 (0) jump= -0.816248 -0.0216635 0.429383 0.385875 18.2785 -18.613 -1.65911 # jumping subtree containing T0136:R 69 (68) jump= 0.522873 -0.157114 0.690961 -0.473806 -13.1741 19.3673 11.1459 # jumping subtree containing T0136:G 29 (28) jump= -0.26904 0.335087 -0.289172 -0.855403 43.5156 19.7528 -11.4041 # jumping subtree containing T0136:V 80 (79) jump= 0.919326 -0.257742 -0.257857 -0.148046 -10.7992 -14.8859 -2.11301 # generation 39: best score out of 40: T0136.try1 61.3716 cost/residue, 118 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 349 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 329 ## OptSubtree 152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= -0.576371 0.65354 0.448251 0.199381 1.93438 -35.6241 42.1002 # Removing break before 28 # jumping subtree containing T0136:G 29 (28) jump= -0.444408 0.298622 0.490982 -0.687214 53.436 19.5528 14.1637 # Removing break before 28 # jumping subtree containing T0136:A 1 (0) jump= -0.734518 0.474219 0.0208712 0.484937 -12.12 31.1819 -9.36446 # Removing break before 28 # generation 40: best score out of 40: T0136.try1 61.3716 cost/residue, 118 clashes 0.0104423 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 349 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 351 ## OptSubtree 161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= -0.542504 -0.774654 -0.167171 0.278665 -17.3144 35.4925 29.1611 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= 0.986897 -0.132598 -0.0905083 -0.0161548 -5.11442 16.5297 -10.848 # Removing break before 28 # jumping subtree containing T0136:M 12 (11) jump= -0.388147 0.476567 -0.18973 0.765656 -19.2603 18.3246 15.7047 # Removing break before 28 # generation 41: best score out of 40: T0136.try1 61.237 cost/residue, 114 clashes 0.0197545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 350 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 364 ## OptSubtree 171 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:G 29 (28) jump= 0.994798 0.0764405 -0.0473455 -0.0478862 -11.3724 -20.081 12.2899 # Removing break before 28 # generation 42: best score out of 40: T0136.try1 61.237 cost/residue, 114 clashes 0.0197545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 351 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 376 ## OptSubtree 182 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.905871 0.400191 0.122545 -0.0650161 -8.55437 -1.92047 -26.6715 # Removing break before 28 # Removing break before 11 # generation 43: best score out of 40: T0136.try1 61.237 cost/residue, 114 clashes 0.0197545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 351 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 397 ## OptSubtree 189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # Removing break before 28 # jumping subtree containing T0136:M 12 (11) jump= 0.428124 0.276129 0.222014 0.831368 43.3083 -12.2455 4.48655 # jumping subtree containing T0136:V 80 (79) jump= 0.296533 -0.183065 0.90246 -0.253223 59.9618 27.9033 20.9797 # generation 44: best score out of 40: T0136.try1 61.237 cost/residue, 114 clashes 0.0197545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 351 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 416 ## OptSubtree 196 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 68 (67) jump= 0.259466 -0.481395 -0.803077 -0.236651 -1.16085 -6.92831 6.45259 # jumping subtree containing T0136:M 12 (11) jump= 0.878053 -0.0779695 -0.152672 0.446805 34.6334 -9.91313 -2.25872 # jumping subtree containing T0136:R 69 (68) jump= -0.427101 -0.860086 -0.220664 -0.170718 12.5605 47.6749 -15.2587 # jumping subtree containing T0136:R 69 (68) jump= 0.676182 -0.672781 -0.277178 0.115394 2.65481 -5.5313 51.3179 # Removing break before 28 # generation 45: best score out of 40: T0136.try1 61.2305 cost/residue, 107 clashes 0.0395563 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 353 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 430 ## OptSubtree 204 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # jumping subtree containing T0136:V 80 (79) jump= -0.561696 0.326184 0.590746 -0.478665 -19.7878 34.5239 35.927 # jumping subtree containing T0136:M 12 (11) jump= 0.264987 0.696764 -0.491463 -0.450296 56.1928 78.775 -15.7642 # Removing break before 28 # generation 46: best score out of 40: T0136.try1 61.2305 cost/residue, 107 clashes 0.0395563 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 353 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 447 ## OptSubtree 211 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # jumping subtree containing T0136:A 1 (0) jump= -0.902769 0.199563 0.0436483 0.378519 -17.1877 -14.3984 9.94687 # jumping subtree containing T0136:G 29 (28) jump= -0.890023 0.339335 -0.259965 -0.158523 0.124815 -13.8672 37.186 # jumping subtree containing T0136:G 29 (28) jump= 0.884076 -0.445034 -0.0741185 -0.121903 -3.72216 36.7621 5.85951 # jumping subtree containing T0136:V 80 (79) jump= 0.652579 0.489329 0.570546 -0.0957832 -38.1176 51.8699 -29.011 # generation 47: best score out of 40: T0136.try1 60.9874 cost/residue, 106 clashes 0.0298826 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 355 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 462 ## OptSubtree 224 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 48: best score out of 40: T0136.try1 60.9874 cost/residue, 106 clashes 0.0298826 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 355 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 482 ## OptSubtree 231 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # jumping subtree containing T0136:A 1 (0) jump= 0.898008 0.384111 -0.0166341 0.213924 -12.5649 3.35914 -11.0354 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= -0.239236 0.639137 0.0687814 0.727695 -6.12781 49.0194 13.3128 # jumping subtree containing T0136:G 29 (28) jump= 0.983717 -0.0657559 -0.0480209 -0.16022 20.6863 8.66744 -3.81126 # jumping subtree containing T0136:M 12 (11) jump= 0.72127 0.313766 -0.336002 0.518095 -3.95554 29.3264 -3.23506 # jumping subtree containing T0136:E 61 (60) jump= 0.201301 -0.326385 -0.0804552 0.920042 -10.7171 48.5428 7.73668 # jumping subtree containing T0136:V 80 (79) jump= 0.787325 -0.501404 -0.358191 -0.0203231 -21.9493 25.0182 23.5793 # generation 49: best score out of 40: T0136.try1 60.9874 cost/residue, 106 clashes 0.0298827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 355 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 502 ## OptSubtree 239 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= 0.900564 -0.127812 0.0278742 0.414573 -0.630753 9.02701 -11.2353 # jumping subtree containing T0136:A 1 (0) jump= 0.906532 0.199324 -0.366117 -0.0665402 9.41518 18.1045 11.7044 # Removing break before 28 # jumping subtree containing T0136:V 79 (78) jump= -0.789549 -0.354865 -0.463023 0.190506 -14.6296 27.8729 -7.82128 # jumping subtree containing T0136:V 80 (79) jump= -0.186579 -0.107719 0.560651 -0.799535 -13.4683 29.3344 30.065 # jumping subtree containing T0136:R 69 (68) jump= 0.368233 0.564992 -0.709492 0.204471 20.7509 1.27452 25.6238 # Removing break before 28 # jumping subtree containing T0136:M 12 (11) jump= 0.928677 -0.271313 0.215723 -0.131956 -0.107603 -4.72541 -0.614635 # generation 50: best score out of 40: T0136.try1 60.9874 cost/residue, 106 clashes 0.0298827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 355 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 513 ## OptSubtree 252 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 11 # Removing break before 11 # Removing break before 28 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= 0.029136 0.865906 -0.048283 -0.497018 -29.8679 70.4927 -37.6868 # Removing break before 28 # Removing break before 11 # generation 51: best score out of 40: T0136.try1 60.9874 cost/residue, 106 clashes 0.0298827 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 355 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 528 ## OptSubtree 261 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= 0.311214 0.904926 -0.257743 -0.133501 1.55334 60.7151 -5.5106 # Removing break before 28 # Removing break before 11 # Removing break before 11 # generation 52: best score out of 40: T0136.try1 60.9774 cost/residue, 105 clashes 0.0299877 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 546 ## OptSubtree 269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 6 (5) jump= -0.928047 0.0470045 0.091081 0.358084 -22.8885 11.1789 18.8174 # jumping subtree containing T0136:L 19 (18) jump= -0.745729 -0.455277 -0.395418 0.283294 -46.6315 7.39633 -31.6753 # Removing break before 28 # generation 53: best score out of 40: T0136.try1 60.9774 cost/residue, 105 clashes 0.0299877 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 563 ## OptSubtree 277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.659093 -0.567569 -0.493404 -0.00386104 -34.9613 48.4221 -33.0237 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:M 12 (11) jump= -0.147777 0.272277 0.949846 -0.0426578 -61.2861 28.1856 38.4599 # Removing break before 28 # generation 54: best score out of 40: T0136.try1 60.9774 cost/residue, 105 clashes 0.0299877 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 584 ## OptSubtree 288 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.698421 -0.503308 0.438259 0.258491 14.9972 4.02737 7.65884 # jumping subtree containing T0136:N 4 (3) jump= -0.850207 0.484145 0.121285 -0.167458 13.4412 6.74267 43.8165 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= -0.974867 -0.097971 0.198664 -0.0238278 -2.45195 -7.65793 0.295153 # jumping subtree containing T0136:R 69 (68) jump= -0.692382 0.126988 0.709657 0.029485 -42.2341 23.9588 29.8009 # jumping subtree containing T0136:V 80 (79) jump= -0.714611 -0.618919 0.325982 0.00237036 10.5408 36.1806 17.4463 # jumping subtree containing T0136:V 80 (79) jump= 0.324738 0.0222383 0.692698 0.6436 -15.5108 6.07039 -16.1949 # generation 55: best score out of 40: T0136.try1 60.8467 cost/residue, 106 clashes 0.0379732 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 601 ## OptSubtree 298 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.841556 0.448475 -0.144632 -0.264076 -23.3171 8.98597 -3.57741 # jumping subtree containing T0136:E 61 (60) jump= -0.428344 0.683067 -0.551323 -0.21444 3.38313 2.94802 8.97597 # jumping subtree containing T0136:N 4 (3) jump= 0.995187 -0.0399805 0.0718023 -0.0533776 16.0046 -0.0615366 -16.2964 # jumping subtree containing T0136:V 80 (79) jump= -0.871659 0.140977 0.458062 0.102541 4.08876 15.2825 17.9555 # jumping subtree containing T0136:N 4 (3) jump= -0.792492 0.343356 0.0308842 -0.503101 8.00132 57.9393 26.7103 # generation 56: best score out of 40: T0136.try1 60.8467 cost/residue, 106 clashes 0.0379732 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 619 ## OptSubtree 307 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 76 (75) jump= 0.93045 0.015395 -0.281726 0.233787 31.0185 9.88281 11.8138 # jumping subtree containing T0136:R 69 (68) jump= 0.968842 0.184511 0.0934611 -0.136258 -24.3484 7.9885 -21.6984 # Removing break before 28 # generation 57: best score out of 40: T0136.try1 60.8467 cost/residue, 106 clashes 0.0379731 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 643 ## OptSubtree 316 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= 0.999238 -0.0232382 -0.0131612 0.0284663 -1.46767 17.3116 -2.882 # jumping subtree containing T0136:V 80 (79) jump= -0.670738 0.624139 -0.0890013 0.390691 -51.8559 4.4088 50.3313 # jumping subtree containing T0136:V 80 (79) jump= 0.935109 0.207961 0.226279 -0.17641 -18.9498 -17.289 -40.6343 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= 0.998559 -0.00907038 0.0522639 0.00813482 16.7292 8.7713 -2.47707 # Removing break before 28 # generation 58: best score out of 40: T0136.try1 60.8467 cost/residue, 106 clashes 0.0379731 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 357 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 658 ## OptSubtree 325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 7 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:V 79 (78) jump= 0.48655 0.292768 -0.477346 0.670594 5.56396 38.7205 49.4524 # jumping subtree containing T0136:H 68 (67) jump= -0.403893 -0.398637 0.723963 -0.39222 -3.45114 9.91113 45.9578 # generation 59: best score out of 40: T0136.try1 60.4708 cost/residue, 110 clashes 0.0567856 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 672 ## OptSubtree 334 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= 0.429215 -0.646685 0.618168 -0.124265 -32.4188 -37.433 36.1052 # Removing break before 28 # generation 60: best score out of 40: T0136.try1 60.4708 cost/residue, 110 clashes 0.0567856 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 689 ## OptSubtree 344 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.922594 0.309843 -0.229817 -0.00120424 15.3902 -6.23383 -9.2488 # Removing break before 51 # jumping subtree containing T0136:R 23 (22) jump= -0.989346 0.0286093 0.0381505 0.137553 11.5104 -30.8188 9.15522 # jumping subtree containing T0136:K 37 (36) jump= 0.603414 0.761478 -0.175541 -0.158834 -3.18623 46.872 -32.9194 # generation 61: best score out of 40: T0136.try1 60.4708 cost/residue, 110 clashes 0.0567856 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 709 ## OptSubtree 354 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 76 (75) jump= -0.0983938 -0.31984 -0.182655 0.924477 -39.1688 66.6999 -24.2907 # Removing break before 28 # Removing break before 7 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= -0.967336 0.0991946 -0.0423443 -0.229408 0.681388 32.4958 0.936125 # generation 62: best score out of 40: T0136.try1 60.4708 cost/residue, 110 clashes 0.0567856 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 721 ## OptSubtree 366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= -0.153614 0.828126 -0.0537584 -0.536396 0.749157 30.9249 -21.8314 # Removing break before 51 # jumping subtree containing T0136:R 69 (68) jump= 0.989048 0.0888072 0.115373 0.0242074 -10.0321 -11.429 11.4858 # jumping subtree containing T0136:G 29 (28) jump= 0.473029 0.542334 0.57131 0.394616 -35.3908 25.9364 -11.1537 # jumping subtree containing T0136:L 8 (7) jump= 0.995914 -0.0668405 -0.0480524 0.0371343 -22.4666 -0.1081 -9.0455 # jumping subtree containing T0136:N 52 (51) jump= -0.427559 -0.783925 -0.167551 0.417829 -7.87737 67.6521 -18.3352 # Removing break before 28 # generation 63: best score out of 40: T0136.try1 60.4708 cost/residue, 110 clashes 0.0567853 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 734 ## OptSubtree 377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= 0.128878 0.799513 -0.326075 0.487693 32.6035 41.3008 32.2703 # jumping subtree containing T0136:L 8 (7) jump= -0.214859 0.365337 0.89916 -0.108977 -53.4939 7.49395 -37.487 # jumping subtree containing T0136:E 48 (47) jump= -0.423594 0.269894 -0.458573 -0.7331 3.29758 9.49661 8.91432 # generation 64: best score out of 40: T0136.try1 60.4707 cost/residue, 110 clashes 0.0567854 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 750 ## OptSubtree 385 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 7 # jumping subtree containing T0136:N 52 (51) jump= 0.984761 -0.150947 -0.0796314 0.0334586 15.1235 4.37282 45.2747 # jumping subtree containing T0136:V 80 (79) jump= -0.5403 0.605019 0.023773 0.584348 -36.3531 66.1343 11.3958 # Removing break before 51 # generation 65: best score out of 40: T0136.try1 60.4707 cost/residue, 110 clashes 0.0567854 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 762 ## OptSubtree 397 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 51 # jumping subtree containing T0136:M 12 (11) jump= 0.0794864 -0.352627 -0.282544 0.888541 -91.2583 115.092 1.31628 # jumping subtree containing T0136:A 1 (0) jump= -0.600632 0.11873 0.702962 0.361923 -21.4291 14.9014 18.5816 # jumping subtree containing T0136:V 80 (79) jump= 0.671728 0.452827 0.16382 0.562932 32.8857 107.353 -76.2045 # Removing break before 28 # jumping subtree containing T0136:L 8 (7) jump= 0.765872 -0.467894 0.414798 -0.149857 -17.5946 -6.63064 85.9474 # generation 66: best score out of 40: T0136.try1 60.3711 cost/residue, 106 clashes 0.0607669 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 777 ## OptSubtree 405 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.982859 0.113649 0.00880424 0.144898 10.0965 29.9798 3.04349 # jumping subtree containing T0136:L 19 (18) jump= 0.859833 -0.0417955 0.15003 -0.486242 -78.1873 2.0376 23.2149 # jumping subtree containing T0136:V 79 (78) jump= -0.999956 -0.00834675 0.00394648 0.00146938 2.13234 -17.2223 -20.4053 # jumping subtree containing T0136:M 12 (11) jump= 0.761584 -0.594138 -0.256769 -0.032552 -40.9264 86.426 76.8629 # generation 67: best score out of 40: T0136.try1 60.3596 cost/residue, 113 clashes 0.0488 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 785 ## OptSubtree 420 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:K 77 (76) jump= 0.54502 -0.393879 0.552451 0.492554 41.5779 60.9561 -27.5045 # jumping subtree containing T0136:R 69 (68) jump= 0.154887 0.393129 0.0343094 -0.905694 -47.0467 132.606 -6.41074 # jumping subtree containing T0136:G 29 (28) jump= 0.020418 0.347279 0.510905 -0.786102 -36.0906 67.7614 43.9757 # jumping subtree containing T0136:V 80 (79) jump= -0.998358 -0.0119885 0.0528811 0.0184758 -21.5712 -8.40999 14.1178 # generation 68: best score out of 40: T0136.try1 60.3596 cost/residue, 113 clashes 0.0488 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 358 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 807 ## OptSubtree 431 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.774268 -0.591939 -0.219212 -0.0454362 -7.1603 13.3349 0.20783 # jumping subtree containing T0136:Q 18 (17) jump= -0.177937 0.4287 0.0473566 -0.884484 -5.12351 58.9369 4.85292 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:L 72 (71) jump= 0.776169 -0.3931 0.214639 0.443807 45.8102 89.627 -12.4256 # jumping subtree containing T0136:D 60 (59) jump= -0.123282 0.279403 0.245644 -0.919997 -26.5466 69.3432 15.5304 # Removing break before 28 # Removing break before 28 # generation 69: best score out of 40: T0136.try1 60.2263 cost/residue, 115 clashes 0.0497069 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 359 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 829 ## OptSubtree 442 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:Q 24 (23) jump= -0.817934 -0.356817 0.429368 -0.138956 9.55727 22.7916 12.3236 # Removing break before 28 # Removing break before 11 # Removing break before 28 # Removing break before 28 # generation 70: best score out of 40: T0136.try1 60.2263 cost/residue, 115 clashes 0.0497069 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 360 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 843 ## OptSubtree 451 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.80729 0.176526 -0.0800891 0.557411 5.09222 57.326 18.9608 # jumping subtree containing T0136:G 29 (28) jump= -0.0926291 -0.916866 0.342224 0.183466 17.8638 35.1313 -40.8721 # Removing break before 11 # jumping subtree containing T0136:G 29 (28) jump= -0.195803 0.497373 0.363312 0.763077 -66.393 89.9049 -3.11447 # jumping subtree containing T0136:V 80 (79) jump= -0.34822 0.471768 0.244944 -0.772127 -1.57394 85.3743 29.8792 # jumping subtree containing T0136:V 80 (79) jump= -0.986795 -0.146052 0.0537251 0.0449143 -12.9055 26.2281 -3.76059 # jumping subtree containing T0136:V 79 (78) jump= 0.951061 -0.0635602 0.0313407 0.300767 15.4693 11.2713 30.091 # generation 71: best score out of 40: T0136.try1 60.2263 cost/residue, 115 clashes 0.0497069 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 360 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 863 ## OptSubtree 464 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:M 12 (11) jump= 0.579966 -0.436214 0.682021 0.0905736 13.1733 -1.72563 10.8253 # generation 72: best score out of 40: T0136.try1 60.2263 cost/residue, 115 clashes 0.0497069 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 360 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 879 ## OptSubtree 472 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.820882 0.34218 -0.400573 -0.220468 -22.018 -31.9749 1.45334 # generation 73: best score out of 40: T0136.try1 60.2263 cost/residue, 115 clashes 0.0497068 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 360 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 891 ## OptSubtree 484 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 4 (3) jump= -0.53355 0.733562 0.234358 0.349696 -39.4821 60.5948 68.5274 # generation 74: best score out of 40: T0136.try1 60.2263 cost/residue, 115 clashes 0.0497069 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 360 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 906 ## OptSubtree 493 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 18 (17) jump= -0.398281 -0.011073 -0.901339 0.169816 -61.8415 10.2285 28.0106 # jumping subtree containing T0136:D 60 (59) jump= 0.79673 -0.596945 0.0216689 0.0916962 28.3769 13.0551 72.2447 # jumping subtree containing T0136:M 12 (11) jump= 0.89835 0.404358 0.13134 0.110505 6.50464 34.4854 -46.2524 # jumping subtree containing T0136:V 80 (79) jump= 0.602211 -0.507867 0.178723 -0.589467 -60.8803 111.63 75.4617 # jumping subtree containing T0136:V 80 (79) jump= 0.790104 -0.169334 0.555216 -0.196971 -41.0084 3.68712 41.5833 # jumping subtree containing T0136:V 35 (34) jump= -0.77987 0.0300897 0.257043 0.569936 -58.5668 72.6607 -4.81923 # generation 75: best score out of 40: T0136.try1 60.2262 cost/residue, 115 clashes 0.0497069 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 360 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 915 ## OptSubtree 508 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 4 (3) jump= -0.95475 0.080933 -0.278021 0.0678736 -12.5266 0.666124 42.636 # jumping subtree containing T0136:V 80 (79) jump= 0.251429 -0.0177429 -0.952556 -0.170604 -47.208 7.09145 15.8058 # jumping subtree containing T0136:V 80 (79) jump= -0.116147 -0.174649 -0.833066 -0.511869 -57.8091 12.3917 -42.3729 # jumping subtree containing T0136:A 64 (63) jump= -0.999255 0.0150033 -0.0349039 0.00676103 8.05016 16.0119 -13.6379 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:M 12 (11) jump= 0.992758 -0.0418662 0.0622265 -0.0938402 -4.19993 -8.93163 10.5925 # generation 76: best score out of 40: T0136.try1 60.2136 cost/residue, 110 clashes 0.0496588 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 361 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 927 ## OptSubtree 519 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.841452 0.465471 -0.264872 -0.0716772 16.8897 64.0593 -56.6128 # jumping subtree containing T0136:M 12 (11) jump= -0.713696 -0.270312 -0.10098 -0.638258 66.5223 71.925 -23.1788 # jumping subtree containing T0136:R 34 (33) jump= 0.0912833 0.39946 0.324651 0.852467 -49.7124 151.379 -30.7492 # jumping subtree containing T0136:V 79 (78) jump= -0.449536 0.276583 -0.0955162 0.843976 -88.4403 121.931 48.509 # generation 77: best score out of 40: T0136.try1 60.158 cost/residue, 111 clashes 0.0446309 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 363 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 940 ## OptSubtree 528 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:N 4 (3) jump= 0.470956 0.38035 -0.714443 0.350864 103.36 80.9832 31.4991 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:V 79 (78) jump= -0.361825 0.753982 0.205303 0.508374 -46.1098 113.633 46.754 # jumping subtree containing T0136:N 52 (51) jump= -0.472483 -0.179083 -0.736179 -0.450255 -19.2608 35.8332 -35.6789 # jumping subtree containing T0136:A 64 (63) jump= 0.921846 0.0823857 0.07029 -0.372119 -76.497 10.8628 4.31301 # generation 78: best score out of 40: T0136.try1 60.158 cost/residue, 111 clashes 0.0446309 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 363 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 960 ## OptSubtree 540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.26613 -0.679976 0.584602 -0.353622 67.5903 123.671 46.9121 # jumping subtree containing T0136:G 63 (62) jump= -0.30554 0.696375 -0.19616 -0.619055 35.5687 133.555 19.2844 # jumping subtree containing T0136:N 52 (51) jump= 0.648834 -0.309464 0.361712 -0.593642 -46.7302 58.1258 91.9559 # jumping subtree containing T0136:N 52 (51) jump= 0.037858 -0.536215 0.800838 -0.264004 73.2886 69.2494 12.2054 # generation 79: best score out of 40: T0136.try1 60.0233 cost/residue, 112 clashes 0.035989 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 983 ## OptSubtree 548 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:K 7 (6) jump= 0.639787 -0.414082 0.475771 -0.439148 -38.2265 65.7307 98.0119 # generation 80: best score out of 40: T0136.try1 60.0232 cost/residue, 112 clashes 0.0359889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1002 ## OptSubtree 556 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 17 (16) jump= 0.0116892 0.282532 -0.119398 -0.951726 29.1584 145.522 8.25963 # jumping subtree containing T0136:M 12 (11) jump= 0.24633 0.0965017 0.920982 -0.286008 -19.9547 4.95589 66.7999 # jumping subtree containing T0136:V 80 (79) jump= 0.995994 0.0243034 0.0815715 0.0274149 -13.2736 18.5107 -18.9972 # Removing break before 28 # jumping subtree containing T0136:M 12 (11) jump= -0.80889 -0.382003 -0.162135 0.416513 -38.3953 52.8747 -37.0134 # Removing break before 28 # generation 81: best score out of 40: T0136.try1 60.0232 cost/residue, 112 clashes 0.0359888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1022 ## OptSubtree 572 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.835193 0.129411 -0.236807 0.479195 -80.2088 44.0569 46.6142 # jumping subtree containing T0136:E 13 (12) jump= 0.3156 0.468931 -0.544677 0.619538 79.986 153.884 38.4787 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= 0.93274 0.133289 -0.148903 0.300096 63.372 21.2869 -11.4933 # generation 82: best score out of 40: T0136.try1 60.0231 cost/residue, 112 clashes 0.0359887 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1039 ## OptSubtree 582 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.539647 0.471925 -0.471752 0.513339 94.8457 75.5633 -35.7838 # Removing break before 51 # jumping subtree containing T0136:N 4 (3) jump= -0.807359 0.326289 0.48861 0.0544603 -8.69427 -16.0374 48.3683 # Removing break before 28 # jumping subtree containing T0136:D 60 (59) jump= 0.47348 -0.266639 0.677334 0.495923 28.7255 18.037 -3.51316 # generation 83: best score out of 40: T0136.try1 60.0231 cost/residue, 112 clashes 0.0359885 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1054 ## OptSubtree 591 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.965431 0.20488 0.0147201 -0.16047 25.7203 -3.37327 24.8813 # Removing break before 28 # jumping subtree containing T0136:E 36 (35) jump= 0.89701 -0.373874 0.165853 -0.167584 -15.7465 10.8328 64.1622 # jumping subtree containing T0136:V 80 (79) jump= -0.911692 -0.0443963 -0.290116 -0.28754 49.8272 15.457 -29.9803 # Removing break before 28 # jumping subtree containing T0136:A 64 (63) jump= 0.987549 -0.0953865 -0.0653058 0.106695 37.444 -6.85448 37.6355 # Removing break before 28 # jumping subtree containing T0136:D 76 (75) jump= 0.712636 0.0634329 0.249463 -0.652606 -118.84 131.253 16.95 # jumping subtree containing T0136:D 60 (59) jump= 0.956822 -0.277886 -0.0540094 -0.0659888 -13.7803 25.6296 27.3143 # jumping subtree containing T0136:V 80 (79) jump= -0.87892 -0.152251 0.200128 0.4053 -50.8765 45.7061 -63.0823 # jumping subtree containing T0136:V 80 (79) jump= -0.990223 -0.0388807 0.133961 -0.000678586 14.9481 -4.70218 -17.1585 # jumping subtree containing T0136:N 4 (3) jump= 0.524074 0.761712 -0.371333 0.0851611 59.1602 122.834 -64.509 # generation 84: best score out of 40: T0136.try1 60.0231 cost/residue, 112 clashes 0.0359885 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1068 ## OptSubtree 600 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # jumping subtree containing T0136:N 52 (51) jump= 0.478763 -0.226771 0.748841 -0.398244 -40.766 71.5395 124.225 # jumping subtree containing T0136:V 80 (79) jump= 0.929404 -0.187913 -0.29643 -0.114135 -22.7736 16.2602 9.73858 # jumping subtree containing T0136:D 60 (59) jump= 0.330823 0.673965 -0.132306 0.647165 45.3919 127.316 -44.0773 # generation 85: best score out of 40: T0136.try1 60.0231 cost/residue, 112 clashes 0.0359888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1081 ## OptSubtree 611 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= -0.322862 -0.226933 0.381439 -0.835922 44.6855 111.571 25.7952 # jumping subtree containing T0136:G 29 (28) jump= -0.615705 0.175146 0.193249 0.743564 -99.5358 99.0087 2.02209 # jumping subtree containing T0136:A 1 (0) jump= 0.976006 0.0786929 0.0019383 -0.203018 -69.3247 22.0861 -19.8623 # jumping subtree containing T0136:N 52 (51) jump= 0.867847 -0.475181 0.06608 0.129143 19.2529 5.83512 110.184 # jumping subtree containing T0136:M 12 (11) jump= 0.118673 0.811446 0.55325 -0.146242 -69.1352 113.406 -29.5445 # jumping subtree containing T0136:V 80 (79) jump= 0.301203 -0.219397 0.675326 -0.636455 -29.117 114.874 119.15 # jumping subtree containing T0136:V 80 (79) jump= 0.442937 -0.795736 0.331887 -0.245893 6.79797 113.142 143.454 # generation 86: best score out of 40: T0136.try1 60.0231 cost/residue, 112 clashes 0.0359884 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1096 ## OptSubtree 620 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 4 (3) jump= 0.881416 0.167388 -0.306223 -0.318299 -50.3013 89.2315 -83.8579 # jumping subtree containing T0136:A 1 (0) jump= 0.83387 -0.109473 -0.467239 0.272697 52.8026 27.9664 70.9584 # jumping subtree containing T0136:V 79 (78) jump= -0.984436 -0.00325822 0.0319631 -0.172783 38.5872 15.6821 -9.02011 # jumping subtree containing T0136:D 60 (59) jump= 0.977968 -0.0234614 -0.065752 0.196737 36.0345 -8.9694 24.0723 # Removing break before 28 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= -0.9913 -0.0709046 -0.0713566 0.0848858 -6.49603 29.4791 4.14264 # jumping subtree containing T0136:V 80 (79) jump= -0.998005 -0.0269257 0.0270278 0.0503004 -27.3679 -4.23841 -4.60176 # generation 87: best score out of 40: T0136.try1 60.0231 cost/residue, 112 clashes 0.0359884 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1106 ## OptSubtree 634 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.959492 0.212671 0.151631 -0.105616 -34.4726 49.9566 -26.7204 # jumping subtree containing T0136:M 12 (11) jump= 0.976408 0.132796 0.124515 -0.116143 -34.911 25.7284 -55.2122 # Removing break before 28 # jumping subtree containing T0136:D 76 (75) jump= -0.0485073 0.459174 -0.730743 -0.502813 64.7903 42.8606 -21.0388 # jumping subtree containing T0136:V 80 (79) jump= 0.818707 -0.525644 -0.14231 -0.182113 -70.5314 47.8485 90.8909 # jumping subtree containing T0136:V 80 (79) jump= -0.162013 -0.710267 0.0553925 -0.682791 28.3887 276.747 2.85191 # jumping subtree containing T0136:V 80 (79) jump= 0.980039 0.16442 0.057878 0.0956065 19.3452 11.3524 -28.4555 # jumping subtree containing T0136:V 16 (15) jump= -0.0845902 -0.334603 -0.856786 0.38315 -56.8558 94.3428 121.981 # Removing break before 51 # jumping subtree containing T0136:N 52 (51) jump= -0.177704 -0.0383278 -0.942891 -0.279121 -5.73343 2.96177 -27.1005 # jumping subtree containing T0136:V 80 (79) jump= 0.954924 0.26393 0.114047 0.0738503 -8.55653 1.51951 -62.4162 # jumping subtree containing T0136:M 12 (11) jump= 0.831258 0.256626 0.480583 0.110426 -39.6184 36.7598 -23.1044 # generation 88: best score out of 40: T0136.try1 60.0231 cost/residue, 112 clashes 0.0359888 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1121 ## OptSubtree 643 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.820917 -0.0753644 0.530816 0.196594 59.1979 -0.300725 5.48374 # jumping subtree containing T0136:N 52 (51) jump= 0.993784 -0.0349318 0.0991752 -0.03656 -24.8487 -14.6632 20.0015 # jumping subtree containing T0136:A 1 (0) jump= -0.756927 -0.648206 -0.0481031 0.0676466 -18.9468 111.974 -74.2932 # generation 89: best score out of 40: T0136.try1 60.023 cost/residue, 112 clashes 0.0359884 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1135 ## OptSubtree 653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.768973 -0.127899 -0.568127 0.263733 -81.4891 59.951 45.85 # jumping subtree containing T0136:G 29 (28) jump= -0.0671027 -0.623449 0.765432 0.144649 74.6637 83.5946 -22.549 # jumping subtree containing T0136:D 60 (59) jump= -0.920825 0.291208 0.203477 0.160859 -15.4837 14.9451 40.2284 # generation 90: best score out of 40: T0136.try1 60.023 cost/residue, 112 clashes 0.0359884 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1149 ## OptSubtree 663 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 11 # jumping subtree containing T0136:G 29 (28) jump= -0.946018 0.109264 0.282662 -0.114954 39.0823 -1.56985 38.7093 # jumping subtree containing T0136:A 1 (0) jump= -0.993772 0.0536059 0.0795738 -0.0566769 24.3492 23.4282 7.38909 # Removing break before 28 # generation 91: best score out of 40: T0136.try1 60.0229 cost/residue, 112 clashes 0.0359886 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1162 ## OptSubtree 674 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= 0.490628 -0.443483 0.244228 0.709196 139.176 160.573 26.6849 # jumping subtree containing T0136:M 12 (11) jump= -0.438827 0.407743 0.792149 -0.116947 -47.8939 44.0254 125.726 # jumping subtree containing T0136:N 4 (3) jump= 0.964782 0.0795011 0.163065 0.190488 50.5813 -6.21968 -6.06959 # Removing break before 51 # jumping subtree containing T0136:V 80 (79) jump= 0.536954 0.255277 0.774873 -0.214677 -131.081 50.9513 29.3581 # jumping subtree containing T0136:Q 38 (37) jump= 0.819643 -0.0512304 -0.141032 0.552875 128.849 67.3371 7.86186 # generation 92: best score out of 40: T0136.try1 60.0228 cost/residue, 112 clashes 0.0359886 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1174 ## OptSubtree 686 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 6 (5) jump= 0.0502946 -0.73018 -0.279788 -0.62131 -90.8191 264.625 13.2768 # Removing break before 28 # jumping subtree containing T0136:A 64 (63) jump= -0.470884 0.0398504 -0.150963 -0.868268 122.47 218.885 -43.7503 # jumping subtree containing T0136:E 36 (35) jump= -0.700341 0.631903 0.122805 0.308446 -72.4719 107.835 124.56 # generation 93: best score out of 40: T0136.try1 60.0228 cost/residue, 112 clashes 0.0359884 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1188 ## OptSubtree 708 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 28 # generation 94: best score out of 40: T0136.try1 60.0227 cost/residue, 112 clashes 0.0359889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1203 ## OptSubtree 719 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 6 (5) jump= 0.171312 -0.586307 0.414659 -0.674503 8.62398 229.103 133.305 # Removing break before 28 # jumping subtree containing T0136:D 60 (59) jump= -0.976594 0.0243058 0.205978 -0.0569733 17.0464 20.2241 9.42999 # jumping subtree containing T0136:L 6 (5) jump= -0.858967 -0.141255 -0.477799 -0.118032 -8.69975 16.0185 -23.6311 # Removing break before 28 # generation 95: best score out of 40: T0136.try1 60.0227 cost/residue, 112 clashes 0.0359889 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1212 ## OptSubtree 733 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 6 (5) jump= 0.501067 -0.846182 -0.152451 0.0983159 -22.9974 149.55 195.361 # jumping subtree containing T0136:G 63 (62) jump= -0.765949 -0.376053 -0.513132 -0.0927512 -84.9794 65.75 -59.2165 # jumping subtree containing T0136:Q 22 (21) jump= 0.869495 -0.405734 0.0563548 -0.276011 -79.8014 48.2535 147.928 # jumping subtree containing T0136:R 69 (68) jump= 0.568951 -0.788455 -0.213906 -0.094223 -60.7837 148.584 208.003 # jumping subtree containing T0136:E 36 (35) jump= 0.0193038 0.702002 -0.638043 -0.315787 137.075 177.915 5.49547 # jumping subtree containing T0136:E 36 (35) jump= 0.98139 0.0510356 -0.175187 -0.0598233 23.0319 4.72593 -14.4288 # jumping subtree containing T0136:G 63 (62) jump= -0.547886 -0.453321 -0.350219 -0.609645 23.3159 114.402 -115.429 # Removing break before 28 # Removing break before 28 # generation 96: best score out of 40: T0136.try1 60.0227 cost/residue, 112 clashes 0.0359885 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1228 ## OptSubtree 741 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 76 (75) jump= -0.246725 0.364837 -0.145106 0.885982 -55.7357 310.724 55.698 # jumping subtree containing T0136:N 4 (3) jump= 0.268561 0.719175 -0.506956 0.391993 91.4526 208.991 63.0447 # jumping subtree containing T0136:M 12 (11) jump= -0.725225 -0.170578 0.559308 -0.363492 119.426 28.5162 -10.0685 # jumping subtree containing T0136:V 80 (79) jump= -0.0089375 0.784268 -0.620354 -0.00197331 129.154 141.5 74.4926 # jumping subtree containing T0136:V 80 (79) jump= -0.164978 -0.168489 -0.165263 0.957644 -24.0316 279.118 57.9684 # jumping subtree containing T0136:R 23 (22) jump= -0.586065 0.79882 -0.135049 -0.0132374 19.0324 175.901 226.7 # generation 97: best score out of 40: T0136.try1 60.0227 cost/residue, 112 clashes 0.0359885 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1239 ## OptSubtree 754 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.985869 -0.039885 -0.0337091 -0.159167 59.3045 26.6255 -13.1226 # jumping subtree containing T0136:A 64 (63) jump= -0.950756 -0.16564 -0.0929829 -0.244912 60.8519 31.4956 -51.8873 # jumping subtree containing T0136:V 80 (79) jump= 0.820415 -0.0649567 0.540027 0.176267 -15.693 -17.1984 13.3732 # jumping subtree containing T0136:V 80 (79) jump= -0.99957 0.00204402 0.0206366 0.0207508 3.32278 -0.821451 5.43771 # generation 98: best score out of 40: T0136.try1 60.0227 cost/residue, 112 clashes 0.0359885 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1250 ## OptSubtree 767 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.982391 -0.11138 0.13488 -0.0656559 -13.3988 13.525 42.1645 # jumping subtree containing T0136:V 80 (79) jump= -0.992986 0.0989678 -0.0644115 0.0059333 0.66169 7.02918 44.0505 # jumping subtree containing T0136:V 80 (79) jump= 0.949449 -0.257004 -0.0417533 0.175363 62.7054 -16.9455 85.0583 # jumping subtree containing T0136:N 3 (2) jump= -0.786433 0.144038 -0.55823 -0.221712 32.2828 -21.5339 69.7975 # Removing break before 28 # jumping subtree containing T0136:V 80 (79) jump= -0.999952 0.00103983 0.00318731 -0.00918713 18.5964 -14.4774 12.202 # generation 99: best score out of 40: T0136.try1 60.0227 cost/residue, 112 clashes 0.0359882 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1268 ## OptSubtree 773 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.217669 0.185119 -0.566795 -0.772719 31.5164 177.013 -144.582 # jumping subtree containing T0136:M 12 (11) jump= -0.452463 0.245242 -0.661672 -0.545274 163.025 72.9664 -37.1364 # generation 100: best score out of 40: T0136.try1 60.0227 cost/residue, 112 clashes 0.0359882 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 364 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 1280 ## OptSubtree 785 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1265591508.pdb -s /projects/compbio/tmp/to_scwrl_1265591508.seq -o /projects/compbio/tmp/from_scwrl_1265591508.pdb -a /projects/compbio/tmp/from_scwrl_1265591508_a.pdb -b /projects/compbio/tmp/from_scwrl_1265591508_b.pdb > /projects/compbio/tmp/scwrl_1265591508.log # T0136.try1-scwrl 59.7535 cost/residue 112 clashes 0.0359882 breaks # iteration 1 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 71.4223 cost/residue, 142 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 13 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 0 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10 70.5948 cost/residue, 131 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 27 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 1 ## 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 69.7124 cost/residue, 152 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 43 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10 69.6036 cost/residue, 142 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 37 ## InsertFragment 59 ## TwoFragment 2 ## CrossOver 2 ## CrossAndInsert 9 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.91654 -0.0128362 0.385916 0.104199 8.74005 -1.30524 -6.87917 # generation 5: best score out of 40: T0136.try1-al8 68.9484 cost/residue, 113 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 74 ## TwoFragment 2 ## CrossOver 2 ## CrossAndInsert 12 ## ReduceClash 4 ## 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-al8 68.9484 cost/residue, 113 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 86 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 13 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8 68.4841 cost/residue, 137 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 100 ## TwoFragment 4 ## CrossOver 3 ## CrossAndInsert 15 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10 68.1987 cost/residue, 125 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 114 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 17 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10 67.8362 cost/residue, 130 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 124 ## TwoFragment 5 ## CrossOver 5 ## CrossAndInsert 19 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.989603 0.133581 -0.0532457 -0.00276165 -12.1011 -6.34038 6.95605 # Removing break before 65 # generation 10: best score out of 40: T0136.try1-al10 67.74 cost/residue, 120 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 140 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 19 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.573646 -0.605676 0.39725 0.382464 30.9075 17.1309 24.6488 # generation 11: best score out of 40: T0136.try1-al10 67.6144 cost/residue, 145 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 151 ## TwoFragment 6 ## CrossOver 6 ## CrossAndInsert 20 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10 67.6144 cost/residue, 145 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 162 ## TwoFragment 6 ## CrossOver 6 ## CrossAndInsert 21 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10 67.2584 cost/residue, 134 clashes 0.0263045 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 172 ## TwoFragment 6 ## CrossOver 9 ## CrossAndInsert 23 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 12 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al10 66.9434 cost/residue, 107 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 74 ## InsertFragment 182 ## TwoFragment 6 ## CrossOver 10 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 13 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 62 (61) jump= 0.464891 0.173769 -0.724385 0.478485 -41.0856 0.379037 -22.7537 # jumping subtree containing T0136:Q 41 (40) jump= 0.245898 -0.54753 0.444664 0.664845 8.68351 18.9504 9.30437 # generation 15: best score out of 40: T0136.try1-al10 66.7068 cost/residue, 116 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 77 ## InsertFragment 190 ## TwoFragment 6 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 17 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:A 1 (0) jump= 0.741974 -0.552653 0.0517539 -0.375994 4.29279 -6.07622 -3.6524 # generation 16: best score out of 40: T0136.try1-al10 66.1293 cost/residue, 115 clashes 0.0219508 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 201 ## TwoFragment 6 ## CrossOver 11 ## CrossAndInsert 27 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 20 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # jumping subtree containing T0136:Q 38 (37) jump= 0.990617 -0.022678 0.0306413 0.131247 11.7915 6.22871 8.30419 # generation 17: best score out of 40: T0136.try1-al10 66.0121 cost/residue, 115 clashes 0.0219508 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 81 ## InsertFragment 212 ## TwoFragment 6 ## CrossOver 12 ## CrossAndInsert 29 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 25 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= 0.185998 0.0287421 0.754275 -0.629005 -44.5812 -23.3771 -20.3859 # jumping subtree containing T0136:R 33 (32) jump= 0.998097 -0.0558869 0.00198749 -0.0259993 -16.948 18.1995 13.585 # generation 18: best score out of 40: T0136.try1-al10 65.8814 cost/residue, 116 clashes 0.013585 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 223 ## TwoFragment 6 ## CrossOver 12 ## CrossAndInsert 29 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 30 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= -0.545495 0.463002 -0.68683 0.127784 -8.87859 -18.6204 21.7239 # jumping subtree containing T0136:L 50 (49) jump= 0.936358 0.183267 -0.284944 0.0919484 11.3885 15.397 21.8955 # jumping subtree containing T0136:A 1 (0) jump= 0.406451 0.570427 0.712498 0.0419217 2.51025 -2.18657 48.3969 # generation 19: best score out of 40: T0136.try1-al10 65.6572 cost/residue, 116 clashes 0.013585 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 233 ## TwoFragment 6 ## CrossOver 12 ## CrossAndInsert 31 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 34 ## OptSubtree 61 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # Removing break before 37 # generation 20: best score out of 40: T0136.try1-al10 65.519 cost/residue, 165 clashes 0.0134946 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 242 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 31 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 40 ## OptSubtree 64 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= -0.164991 0.138686 -0.969302 -0.118316 -13.7174 22.4219 18.6921 # jumping subtree containing T0136:H 39 (38) jump= -0.99626 0.0335299 -0.0652168 -0.0456902 18.9624 3.58298 -0.199847 # jumping subtree containing T0136:Q 38 (37) jump= -0.992278 -0.0891869 -0.0656696 0.0558415 -8.25078 23.6974 -1.00605 # Removing break before 37 # jumping subtree containing T0136:A 1 (0) jump= -0.94519 0.266057 -0.0188978 -0.188343 20.7744 -19.7462 11.6195 # Removing break before 37 # generation 21: best score out of 40: T0136.try1-al10 65.519 cost/residue, 165 clashes 0.0134946 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 84 ## InsertFragment 245 ## TwoFragment 6 ## CrossOver 17 ## CrossAndInsert 31 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 48 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 37 # Removing break before 38 # Removing break before 38 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 38 (37) jump= -0.14082 -0.379764 -0.715031 0.569806 -20.3835 -7.95031 4.69013 # generation 22: best score out of 40: T0136.try1-al10 65.0908 cost/residue, 150 clashes 0.0396061 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 84 ## InsertFragment 249 ## TwoFragment 6 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 55 ## OptSubtree 80 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.297854 -0.7827 -0.477203 0.266346 -43.1791 20.9665 -12.2353 # Removing break before 39 # generation 23: best score out of 40: T0136.try1-al10 65.0908 cost/residue, 150 clashes 0.0396061 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 84 ## InsertFragment 249 ## TwoFragment 6 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 68 ## OptSubtree 91 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:R 66 (65) jump= -0.950387 0.0909731 -0.110575 -0.276155 -20.3274 -15.382 -6.81231 # generation 24: best score out of 40: T0136.try1-al10 64.3805 cost/residue, 184 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 254 ## TwoFragment 6 ## CrossOver 24 ## CrossAndInsert 32 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 73 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= -0.99979 0.0139005 0.00230677 -0.0148631 -22.6213 -13.8556 -3.91827 # jumping subtree containing T0136:R 49 (48) jump= -0.928535 -0.205637 -0.0403013 0.30645 9.37731 31.1786 15.4387 # jumping subtree containing T0136:A 1 (0) jump= -0.733547 0.636216 0.102166 -0.216103 7.63049 -2.69678 -17.8548 # jumping subtree containing T0136:G 74 (73) jump= 0.714354 -0.416401 0.461041 0.322102 -4.39662 -24.7124 15.8505 # jumping subtree containing T0136:A 1 (0) jump= -0.960409 -0.0792346 -0.266546 0.0169998 -12.9611 4.24284 32.943 # generation 25: best score out of 40: T0136.try1-al10 63.9433 cost/residue, 176 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 85 ## InsertFragment 258 ## TwoFragment 6 ## CrossOver 24 ## CrossAndInsert 33 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 82 ## OptSubtree 115 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # generation 26: best score out of 40: T0136.try1-al10 63.9433 cost/residue, 176 clashes 0.0396059 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 260 ## TwoFragment 6 ## CrossOver 25 ## CrossAndInsert 33 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 90 ## OptSubtree 129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # Removing break before 39 # jumping subtree containing T0136:S 40 (39) jump= 0.466012 0.732828 0.473963 0.145448 10.0571 -13.9226 50.2322 # Removing break before 39 # jumping subtree containing T0136:G 31 (30) jump= -0.999731 0.0222045 0.00669616 0.000984538 -7.46959 -28.6414 0.502259 # Removing break before 39 # generation 27: best score out of 40: T0136.try1-al10 63.6641 cost/residue, 179 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 265 ## TwoFragment 7 ## CrossOver 28 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 94 ## OptSubtree 142 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.806054 0.0212588 -0.591375 0.0100717 20.0885 -19.0547 -6.05509 # jumping subtree containing T0136:G 74 (73) jump= 0.869036 0.402904 -0.255764 -0.130502 20.7161 3.43315 25.6137 # Removing break before 39 # generation 28: best score out of 40: T0136.try1-al10 63.6641 cost/residue, 179 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 268 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 99 ## OptSubtree 157 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= -0.0859744 -0.377693 -0.913991 0.120736 61.0633 -35.9517 9.19974 # Removing break before 39 # Removing break before 39 # generation 29: best score out of 40: T0136.try1-al10 63.6641 cost/residue, 179 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 86 ## InsertFragment 268 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 106 ## OptSubtree 174 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.999988 -0.00121243 0.00116351 0.00450871 -10.6628 5.32688 -26.8094 # generation 30: best score out of 40: T0136.try1-al10 63.4054 cost/residue, 167 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 270 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 116 ## OptSubtree 189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 49 (48) jump= -0.568132 -0.229428 0.663926 -0.428708 -6.89381 4.06822 31.6366 # jumping subtree containing T0136:R 23 (22) jump= 0.948525 -0.19652 0.0607964 -0.240799 6.99382 -18.7002 12.6034 # jumping subtree containing T0136:G 74 (73) jump= -0.946151 -0.118649 -0.225435 0.19975 -10.2645 10.084 15.5346 # generation 31: best score out of 40: T0136.try1-al10 63.3984 cost/residue, 184 clashes 0.02978 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 272 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 121 ## OptSubtree 206 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.128287 0.618509 0.774866 -0.0239183 72.626 -50.6842 49.7942 # jumping subtree containing T0136:Q 22 (21) jump= -0.742249 -0.309274 -0.254359 0.537325 4.57687 20.5175 26.2073 # jumping subtree containing T0136:T 71 (70) jump= 0.994074 0.0434448 0.0710732 -0.0698418 2.18391 -12.3284 -8.55745 # Removing break before 39 # Removing break before 39 # Removing break moved up 3 to before 43 # generation 32: best score out of 40: T0136.try1-al10 63.2332 cost/residue, 178 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 274 ## TwoFragment 7 ## CrossOver 30 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 127 ## OptSubtree 227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:S 40 (39) jump= 0.106639 -0.403249 0.528178 -0.739626 44.332 -23.339 -48.4197 # generation 33: best score out of 40: T0136.try1-al10 63.1763 cost/residue, 198 clashes 0.039606 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 275 ## TwoFragment 7 ## CrossOver 32 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 137 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.468224 0.794592 -0.181659 -0.341159 22.6375 20.216 -12.2522 # jumping subtree containing T0136:A 64 (63) jump= 0.0838709 0.859885 -0.260325 -0.431039 16.9433 -5.54929 61.5495 # Removing break before 39 # generation 34: best score out of 40: T0136.try1-al10 62.7093 cost/residue, 161 clashes 0.0396061 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 278 ## TwoFragment 7 ## CrossOver 34 ## CrossAndInsert 35 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 143 ## OptSubtree 261 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.991329 -0.0735182 -0.0790225 -0.0749505 -4.65633 8.85101 15.1328 # jumping subtree containing T0136:A 1 (0) jump= 0.965039 0.127072 -0.117045 0.197111 -25.3072 -0.436171 18.2071 # Removing break before 39 # jumping subtree containing T0136:R 66 (65) jump= -0.0295227 -0.295876 -0.911894 -0.282905 53.8141 -44.3206 29.0615 # jumping subtree containing T0136:T 71 (70) jump= -0.969879 -0.186756 -0.0724479 0.138597 -1.11627 -2.67804 -7.90281 # generation 35: best score out of 40: T0136.try1-al10 62.7093 cost/residue, 161 clashes 0.0396061 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 280 ## TwoFragment 7 ## CrossOver 35 ## CrossAndInsert 35 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 157 ## OptSubtree 275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.292267 0.673344 0.421827 -0.532212 28.1176 -20.9265 -7.88658 # jumping subtree containing T0136:F 73 (72) jump= 0.780851 -0.00956024 -0.269424 -0.563552 45.3584 5.49426 1.85894 # jumping subtree containing T0136:R 23 (22) jump= -0.668717 -0.715044 -0.167825 -0.115605 5.15539 26.4701 32.6113 # jumping subtree containing T0136:S 58 (57) jump= 0.285837 -0.86281 -0.356576 -0.216122 -2.3747 -23.6626 31.9803 # generation 36: best score out of 40: T0136.try1-al10 62.5074 cost/residue, 165 clashes 0.0310124 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 283 ## TwoFragment 7 ## CrossOver 35 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 166 ## OptSubtree 293 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= 0.583796 -0.304003 -0.200084 0.725762 25.1857 -44.9745 -2.41419 # jumping subtree containing T0136:A 1 (0) jump= -0.546354 0.221482 -0.213023 -0.779143 -2.87534 -24.8759 -2.82192 # jumping subtree containing T0136:A 1 (0) jump= -0.0753081 0.703479 0.253886 0.659536 0.300135 3.08311 -25.6835 # Removing break before 39 # jumping subtree containing T0136:S 40 (39) jump= -0.489101 0.805125 -0.0804295 0.325707 8.89923 -24.3507 -10.2537 # generation 37: best score out of 40: T0136.try1-al10 62.4127 cost/residue, 160 clashes 0.027322 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 285 ## TwoFragment 7 ## CrossOver 35 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 175 ## OptSubtree 313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 38: best score out of 40: T0136.try1-al10 62.4127 cost/residue, 160 clashes 0.027322 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 285 ## TwoFragment 7 ## CrossOver 36 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 181 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # generation 39: best score out of 40: T0136.try1-al10 62.4127 cost/residue, 160 clashes 0.0273221 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 285 ## TwoFragment 7 ## CrossOver 38 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 192 ## OptSubtree 355 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= -0.907524 -0.128889 -0.387158 -0.0994792 -4.29283 -1.646 1.52366 # jumping subtree containing T0136:E 61 (60) jump= 0.999897 0.00440777 0.00253779 0.013439 4.59751 14.4543 -25.3531 # jumping subtree containing T0136:S 40 (39) jump= -0.681273 0.158112 -0.254144 -0.668041 19.0597 -53.8519 15.3991 # jumping subtree containing T0136:S 40 (39) jump= 0.76825 0.62675 -0.0795633 0.103179 13.984 22.2615 8.56474 # jumping subtree containing T0136:F 59 (58) jump= 0.537719 -0.050054 -0.39917 0.740956 54.1249 24.3751 24.0399 # Removing break before 39 # generation 40: best score out of 40: T0136.try1-al10 62.0018 cost/residue, 164 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 287 ## TwoFragment 7 ## CrossOver 40 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 200 ## OptSubtree 367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.947939 0.0598075 0.285151 -0.128548 40.9514 11.1651 4.52334 # jumping subtree containing T0136:R 23 (22) jump= -0.82765 0.247374 0.327849 -0.382514 62.9196 -13.3811 10.3093 # jumping subtree containing T0136:R 23 (22) jump= -0.954174 -0.123606 0.0656223 0.264514 -3.02687 27.5185 -12.4815 # jumping subtree containing T0136:R 23 (22) jump= 0.792058 -0.13806 -0.592795 0.0466661 65.0906 -10.2725 13.2521 # generation 41: best score out of 40: T0136.try1-al10 62.0018 cost/residue, 164 clashes 0.0150448 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 290 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 209 ## OptSubtree 384 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.204606 -0.474686 -0.310508 0.797744 63.4947 38.8304 37.6846 # jumping subtree containing T0136:R 23 (22) jump= -0.998766 -0.0191484 -0.0183077 -0.0420043 -23.0685 -7.23588 12.5824 # jumping subtree containing T0136:E 48 (47) jump= -0.995445 -0.0140694 0.0521642 0.078547 17.8391 18.839 -0.270114 # generation 42: best score out of 40: T0136.try1-al10 62.0018 cost/residue, 164 clashes 0.0150448 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 291 ## TwoFragment 7 ## CrossOver 42 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 219 ## OptSubtree 402 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.753525 -0.483235 -0.414156 0.1648 -26.1554 10.3547 4.11376 # jumping subtree containing T0136:E 61 (60) jump= -0.880823 -0.297918 0.334931 0.15237 51.5779 25.6552 -2.6312 # jumping subtree containing T0136:R 23 (22) jump= -0.392672 -0.160484 0.114717 -0.898273 4.31405 41.7793 16.1242 # jumping subtree containing T0136:S 40 (39) jump= 0.3982 -0.349769 -0.84322 -0.0898799 2.25698 -23.6127 47.3041 # jumping subtree containing T0136:E 61 (60) jump= -0.58755 0.232734 -0.624889 0.458404 -2.67643 15.9258 28.832 # generation 43: best score out of 40: T0136.try1-al10 62.0017 cost/residue, 164 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 291 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 229 ## OptSubtree 420 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 22 (21) jump= -0.957163 0.14326 -0.251304 0.0127167 -21.8572 -6.00834 32.5897 # jumping subtree containing T0136:S 40 (39) jump= 0.765108 -0.425505 0.447317 -0.182929 -38.4323 -7.28297 23.9555 # jumping subtree containing T0136:Q 22 (21) jump= 0.913172 -0.0933635 0.297622 0.262338 -16.4436 10.6066 16.4845 # jumping subtree containing T0136:R 23 (22) jump= 0.910837 0.00377721 0.400979 0.0978704 -27.3987 -10.7604 10.8783 # generation 44: best score out of 40: T0136.try1-al10 62.0017 cost/residue, 164 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 291 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 238 ## OptSubtree 435 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:S 40 (39) jump= 0.729202 0.646489 0.164328 0.152688 -20.1245 62.9167 79.8779 # jumping subtree containing T0136:Q 22 (21) jump= -0.0115639 0.881505 -0.325668 -0.341694 37.7375 32.8804 93.0914 # Removing break before 39 # Removing break before 39 # generation 45: best score out of 40: T0136.try1-al10 61.5392 cost/residue, 168 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 295 ## TwoFragment 7 ## CrossOver 46 ## CrossAndInsert 36 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 242 ## OptSubtree 452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= -0.271355 0.392275 -0.430803 -0.766091 -14.7028 -69.2069 35.4766 # jumping subtree containing T0136:R 23 (22) jump= -0.273634 0.709428 -0.64919 0.0197238 9.48028 52.202 86.834 # generation 46: best score out of 40: T0136.try1-al10 61.5392 cost/residue, 168 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 296 ## TwoFragment 7 ## CrossOver 46 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 250 ## OptSubtree 468 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= -0.0855243 0.802729 -0.590114 0.00873653 15.1266 0.775946 67.9715 # Removing break before 39 # Removing break before 39 # jumping subtree containing T0136:A 1 (0) jump= 0.00250417 0.57955 0.761413 0.29046 -16.6776 -8.31796 74.6056 # Removing break before 39 # generation 47: best score out of 40: T0136.try1-al10 61.5392 cost/residue, 168 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 296 ## TwoFragment 7 ## CrossOver 46 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 263 ## OptSubtree 489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:F 59 (58) jump= 0.462045 0.826972 -0.319815 0.0186927 54.2498 83.8168 85.6275 # jumping subtree containing T0136:K 67 (66) jump= -0.441196 0.086889 0.156045 -0.879458 36.8819 36.4608 28.7541 # Removing break before 39 # generation 48: best score out of 40: T0136.try1-al10 61.5392 cost/residue, 168 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 296 ## TwoFragment 7 ## CrossOver 47 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 275 ## OptSubtree 505 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.974306 -0.0885437 0.197846 -0.0612021 22.2672 2.26387 -8.99825 # jumping subtree containing T0136:R 23 (22) jump= -0.498736 -0.220956 -0.750939 0.372199 -27.4337 78.106 90.9906 # jumping subtree containing T0136:V 79 (78) jump= -0.999951 -0.00959469 -0.00210699 0.000850157 -6.29215 19.6257 -16.2398 # generation 49: best score out of 40: T0136.try1-al10 61.3532 cost/residue, 168 clashes 0.0150446 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 299 ## TwoFragment 7 ## CrossOver 48 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 285 ## OptSubtree 517 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= 0.953468 -0.244459 0.175876 -0.0143311 4.8721 -6.57732 20.32 # jumping subtree containing T0136:E 61 (60) jump= 0.678896 0.410821 -0.403414 -0.455614 88.768 45.7753 29.2613 # jumping subtree containing T0136:R 66 (65) jump= 0.627351 -0.473943 -0.514959 0.341504 29.7131 36.1563 94.0901 # jumping subtree containing T0136:S 40 (39) jump= 0.42303 0.531446 -0.0828976 0.729204 7.47836 31.9106 -1.39627 # jumping subtree containing T0136:E 61 (60) jump= -0.989655 0.0141851 0.138272 -0.0355398 11.6236 17.9841 -18.138 # generation 50: best score out of 40: T0136.try1-al10 61.3532 cost/residue, 168 clashes 0.0150446 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 300 ## TwoFragment 7 ## CrossOver 50 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 295 ## OptSubtree 537 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.953766 -0.0673496 0.163918 0.242744 2.67577 20.8472 -24.3743 # jumping subtree containing T0136:A 46 (45) jump= -0.805711 0.520874 0.252834 0.124882 -3.535 -25.941 29.2397 # jumping subtree containing T0136:G 29 (28) jump= -0.622336 0.45543 0.404182 -0.491853 66.8173 2.13687 64.574 # Removing break before 39 # jumping subtree containing T0136:S 40 (39) jump= 0.906713 -0.197648 0.309239 -0.207795 -43.6816 -31.5685 37.8132 # jumping subtree containing T0136:E 61 (60) jump= -0.841554 -0.538657 0.0388567 0.01117 16.6544 58.3025 18.5019 # Removing break before 39 # jumping subtree containing T0136:R 66 (65) jump= 0.893671 -0.0782163 -0.113405 -0.427052 -9.66008 18.5919 22.776 # jumping subtree containing T0136:G 29 (28) jump= 0.550099 0.354824 0.14378 -0.742171 7.35741 90.4716 11.2447 # generation 51: best score out of 40: T0136.try1-al10 61.1729 cost/residue, 168 clashes 0.0255332 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 301 ## TwoFragment 7 ## CrossOver 51 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 306 ## OptSubtree 557 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.18877 -0.852801 0.4234 -0.240475 -19.2221 59.3917 114.836 # jumping subtree containing T0136:E 61 (60) jump= 0.671805 0.635422 -0.371281 0.0840764 48.3264 96.4483 30.5597 # jumping subtree containing T0136:G 29 (28) jump= 0.0151277 0.210379 0.678534 0.703636 -36.0568 -22.7232 -3.47167 # generation 52: best score out of 40: T0136.try1-al10 61.1729 cost/residue, 168 clashes 0.0255332 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 301 ## TwoFragment 7 ## CrossOver 53 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 314 ## OptSubtree 576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 49 (48) jump= -0.72852 0.601208 -0.260802 0.199475 -27.2379 -17.5499 63.4035 # jumping subtree containing T0136:E 61 (60) jump= -0.844385 0.304083 0.307382 -0.31633 25.9658 -6.58711 61.1034 # jumping subtree containing T0136:R 49 (48) jump= -0.325834 0.554168 -0.159307 -0.749234 42.8958 -10.8779 28.5803 # jumping subtree containing T0136:R 66 (65) jump= 0.954543 -0.0639364 0.0894247 0.27706 12.874 3.29917 32.8412 # generation 53: best score out of 40: T0136.try1-al10 61.1717 cost/residue, 168 clashes 0.0255332 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 302 ## TwoFragment 7 ## CrossOver 53 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 324 ## OptSubtree 599 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= 0.985712 0.104012 -0.0490119 -0.123091 4.83242 -4.81706 -12.1637 # jumping subtree containing T0136:R 66 (65) jump= 0.163529 0.831353 -0.302395 -0.436655 56.2558 61.6311 74.0496 # jumping subtree containing T0136:Q 22 (21) jump= 0.979621 0.168084 0.102631 -0.0394591 4.31784 22.2942 8.28948 # jumping subtree containing T0136:G 29 (28) jump= -0.986458 0.111714 -0.0764949 -0.0925649 20.1907 -12.4488 8.5956 # jumping subtree containing T0136:R 23 (22) jump= 0.934008 -0.0284297 0.32864 0.137175 -25.8712 -6.67356 38.2473 # jumping subtree containing T0136:E 61 (60) jump= 0.727204 0.0320385 0.664796 0.167909 -31.8306 4.48339 44.5966 # generation 54: best score out of 40: T0136.try1-al10 61.0693 cost/residue, 155 clashes 0.0255332 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 303 ## TwoFragment 7 ## CrossOver 54 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 330 ## OptSubtree 615 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= -0.992599 0.0536467 -0.0429345 0.100132 3.78594 -8.68027 5.63344 # jumping subtree containing T0136:A 28 (27) jump= 0.964325 -0.0718276 -0.243896 0.073712 27.2519 14.7812 -5.88305 # jumping subtree containing T0136:E 61 (60) jump= 0.209788 -0.369319 -0.372303 -0.825217 -58.9305 19.6189 11.9107 # jumping subtree containing T0136:A 46 (45) jump= 0.784427 0.221984 0.146884 -0.560199 -51.2411 78.5271 -20.1406 # jumping subtree containing T0136:E 61 (60) jump= -0.98861 0.0116306 -0.112795 0.0989585 -13.2548 -12.5502 -14.9166 # jumping subtree containing T0136:E 61 (60) jump= -0.339407 -0.0723149 -0.554243 -0.756564 17.5491 3.86927 -16.5156 # jumping subtree containing T0136:G 29 (28) jump= 0.854843 -0.30248 0.22913 0.353905 33.8439 -28.9623 13.7956 # jumping subtree containing T0136:G 29 (28) jump= -0.882749 -0.237846 -0.404573 0.0224624 -57.1433 11.1069 19.3038 # generation 55: best score out of 40: T0136.try1-al10 60.927 cost/residue, 176 clashes 0.0150446 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 303 ## TwoFragment 7 ## CrossOver 54 ## CrossAndInsert 38 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 337 ## OptSubtree 639 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.599139 0.410538 0.213893 0.653254 -10.489 32.366 7.09337 # jumping subtree containing T0136:A 1 (0) jump= 0.659767 -0.0727679 0.365091 -0.65278 -50.8158 16.998 25.2331 # jumping subtree containing T0136:V 79 (78) jump= 0.850927 -0.29767 -0.104831 0.419912 51.6382 23.0416 36.9629 # jumping subtree containing T0136:E 61 (60) jump= 0.648237 0.0369506 -0.634051 0.420004 51.6972 22.3614 71.8001 # jumping subtree containing T0136:E 61 (60) jump= -0.721156 0.111759 -0.0246933 -0.683253 51.5294 5.23512 15.0088 # generation 56: best score out of 40: T0136.try1-al10 60.927 cost/residue, 176 clashes 0.0150447 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 304 ## TwoFragment 7 ## CrossOver 54 ## CrossAndInsert 38 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 347 ## OptSubtree 660 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.694609 0.608439 -0.167355 -0.345417 30.0351 99.7886 -8.73236 # jumping subtree containing T0136:E 61 (60) jump= -0.341494 -0.432345 0.0594134 -0.832424 -18.7911 103.434 8.16603 # jumping subtree containing T0136:E 61 (60) jump= -0.747693 0.0192725 -0.317961 -0.582653 23.1635 16.4059 4.678 # generation 57: best score out of 40: T0136.try1-al10 60.9062 cost/residue, 162 clashes 0.0150448 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 305 ## TwoFragment 7 ## CrossOver 55 ## CrossAndInsert 38 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 358 ## OptSubtree 679 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:L 72 (71) jump= -0.242402 -0.945221 -0.13367 0.173004 -5.08476 76.0831 52.5773 # jumping subtree containing T0136:A 46 (45) jump= 0.612976 0.54767 0.0104905 0.569392 -9.3854 33.0438 -14.7018 # jumping subtree containing T0136:R 66 (65) jump= -0.982982 0.141469 0.105925 0.0501345 -6.00492 9.37757 12.3623 # generation 58: best score out of 40: T0136.try1-al10 60.8295 cost/residue, 167 clashes 0.0400572 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 307 ## TwoFragment 7 ## CrossOver 56 ## CrossAndInsert 38 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 369 ## OptSubtree 698 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.972313 -0.229076 0.0389294 0.024815 -1.89754 -2.3084 20.4746 # Removing break before 39 # jumping subtree containing T0136:R 66 (65) jump= -0.296484 0.412601 0.387634 0.769153 -71.8504 -0.031683 39.322 # jumping subtree containing T0136:G 29 (28) jump= 0.979117 -0.100494 0.0375439 0.17269 20.6841 -20.5287 -7.35022 # jumping subtree containing T0136:S 40 (39) jump= 0.969986 0.161574 -0.100395 -0.151466 17.2529 24.1096 8.72319 # jumping subtree containing T0136:E 61 (60) jump= 0.731759 0.387101 -0.346336 -0.441286 31.3475 4.46122 -10.2534 # generation 59: best score out of 40: T0136.try1-al10 60.6261 cost/residue, 176 clashes 0.0197594 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 309 ## TwoFragment 7 ## CrossOver 56 ## CrossAndInsert 38 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 376 ## OptSubtree 721 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.990896 -0.0656299 0.115349 -0.0226286 -2.93199 0.806916 17.6128 # jumping subtree containing T0136:S 40 (39) jump= 0.0949531 0.631126 0.537959 0.550694 -74.8253 39.2728 69.789 # jumping subtree containing T0136:R 23 (22) jump= 0.680847 0.221382 -0.360429 0.597936 36.3572 83.6486 34.4221 # jumping subtree containing T0136:R 23 (22) jump= 0.825999 -0.300506 0.459907 -0.126127 -22.775 -31.6903 29.7572 # jumping subtree containing T0136:E 61 (60) jump= -0.95475 -0.0983468 -0.150175 -0.237125 -30.1788 1.33938 6.20774 # jumping subtree containing T0136:E 61 (60) jump= -0.420482 -0.265283 0.444123 -0.745368 38.894 81.2652 32.0266 # generation 60: best score out of 40: T0136.try1-al10 60.6261 cost/residue, 176 clashes 0.0197592 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 309 ## TwoFragment 7 ## CrossOver 56 ## CrossAndInsert 38 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 388 ## OptSubtree 741 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= -0.549557 0.607139 -0.524001 0.234077 -37.9061 41.018 96.6201 # jumping subtree containing T0136:E 61 (60) jump= 0.0829278 0.308168 0.189461 -0.92858 14.8736 95.6729 6.56435 # Removing break before 39 # jumping subtree containing T0136:G 29 (28) jump= -0.00622359 0.13639 -0.781867 -0.608312 63.5257 -35.7037 52.017 # Removing break before 39 # jumping subtree containing T0136:Q 22 (21) jump= 0.752198 -0.175384 -0.21009 -0.599417 -13.2017 -9.63039 13.9628 # jumping subtree containing T0136:S 40 (39) jump= -0.271405 0.715738 -0.582109 -0.27424 52.1339 -12.808 150.662 # jumping subtree containing T0136:A 46 (45) jump= 0.94951 -0.184045 0.230843 0.106157 -34.5184 -18.2676 10.5191 # jumping subtree containing T0136:E 61 (60) jump= 0.750897 0.0159205 -0.499218 -0.432066 6.61901 -23.5858 -6.4291 # generation 61: best score out of 40: T0136.try1-al10 60.626 cost/residue, 176 clashes 0.0197593 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 309 ## TwoFragment 7 ## CrossOver 56 ## CrossAndInsert 38 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 397 ## OptSubtree 765 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:R 66 (65) jump= 0.853842 0.321222 0.211433 -0.350808 -35.6205 48.7283 14.9615 # jumping subtree containing T0136:A 1 (0) jump= 0.808131 -0.374552 -0.0415307 0.452671 21.4949 -37.2484 40.8814 # jumping subtree containing T0136:A 1 (0) jump= 0.35145 0.364298 0.855096 0.112164 -60.2426 36.3173 90.6208 # jumping subtree containing T0136:E 61 (60) jump= -0.370207 -0.0146225 -0.249913 0.894582 7.88406 27.0423 18.5282 # jumping subtree containing T0136:E 61 (60) jump= 0.300919 -0.0743538 -0.808718 -0.499895 26.423 -34.2211 28.687 # jumping subtree containing T0136:A 46 (45) jump= 0.111033 0.296661 0.500361 0.805793 10.1044 -9.07042 -18.0939 # jumping subtree containing T0136:L 72 (71) jump= -0.910719 0.0361966 -0.331255 0.24403 -61.7076 46.3164 39.166 # jumping subtree containing T0136:S 40 (39) jump= 0.866027 -0.0509179 -0.247765 0.431297 59.8399 -13.1215 -15.149 # Removing break before 39 # generation 62: best score out of 40: T0136.try1-al10 60.3077 cost/residue, 169 clashes 0.052205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 310 ## TwoFragment 7 ## CrossOver 57 ## CrossAndInsert 38 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 409 ## OptSubtree 782 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.999761 -0.00912647 -0.0195437 0.0035771 -28.3589 0.899082 11.7549 # jumping subtree containing T0136:E 61 (60) jump= 0.281307 -0.259873 -0.820549 0.424302 -6.76635 58.5831 85.5931 # jumping subtree containing T0136:E 61 (60) jump= -0.785701 -0.503767 0.33499 0.129136 46.3021 86.8964 -16.536 # jumping subtree containing T0136:A 1 (0) jump= -0.821906 -0.435457 0.344642 0.126767 83.9686 83.1246 43.6159 # jumping subtree containing T0136:Q 22 (21) jump= -0.636859 0.412809 0.565793 -0.322301 76.4969 -8.67486 49.1054 # generation 63: best score out of 40: T0136.try1-al10 60.3077 cost/residue, 169 clashes 0.052205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 58 ## CrossAndInsert 38 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 424 ## OptSubtree 795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 3 (2) jump= 0.317428 -0.891447 -0.232426 -0.22481 -41.1322 -24.2552 139.552 # jumping subtree containing T0136:R 66 (65) jump= -0.247911 0.115198 -0.777491 0.566372 27.2025 96.2748 121.444 # jumping subtree containing T0136:K 77 (76) jump= 0.352069 0.801225 0.4275 -0.226562 -38.2136 77.9509 64.2344 # jumping subtree containing T0136:D 60 (59) jump= -0.188535 -0.822682 0.39876 -0.358664 0.245866 100.078 78.3393 # jumping subtree containing T0136:A 46 (45) jump= 0.94682 0.223371 0.0889457 0.213836 -21.9609 15.9092 -22.647 # jumping subtree containing T0136:G 29 (28) jump= 0.788516 0.28676 -0.511076 0.18658 78.4473 30.4122 -2.83584 # jumping subtree containing T0136:E 61 (60) jump= 0.951453 0.033863 -0.0962632 0.290387 14.3513 7.99172 -15.8444 # jumping subtree containing T0136:V 79 (78) jump= -0.433912 0.37886 -0.794044 -0.194112 24.9087 -32.0095 132.85 # jumping subtree containing T0136:G 29 (28) jump= -0.959635 -0.179188 0.0784263 -0.202094 52.2331 18.2454 -49.5429 # jumping subtree containing T0136:F 59 (58) jump= -0.891625 0.356478 0.11692 -0.253492 20.2949 -46.4432 28.0073 # jumping subtree containing T0136:S 40 (39) jump= 0.909141 -0.178638 -0.335575 -0.170118 31.8574 1.88034 6.16921 # jumping subtree containing T0136:R 23 (22) jump= -0.412096 -0.0317647 -0.652767 -0.634873 12.3846 -33.1006 35.1797 # jumping subtree containing T0136:R 66 (65) jump= -0.741001 0.591212 -0.0447347 0.315253 -4.88693 -6.97206 56.2128 # jumping subtree containing T0136:G 29 (28) jump= 0.637175 0.0375164 0.739072 0.215342 5.82342 -25.0025 85.9765 # jumping subtree containing T0136:E 61 (60) jump= -0.699319 -0.627176 -0.342534 -0.016537 -39.4887 53.0138 75.7552 # jumping subtree containing T0136:K 77 (76) jump= -0.932889 0.000913782 -0.176614 -0.313886 32.2412 -19.3636 2.38707 # generation 64: best score out of 40: T0136.try1-al10 60.3077 cost/residue, 169 clashes 0.052205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 59 ## CrossAndInsert 38 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 431 ## OptSubtree 820 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= 0.994811 0.0782277 -0.0617776 0.0203731 21.5272 28.2488 13.3854 # jumping subtree containing T0136:K 77 (76) jump= 0.16817 -0.142265 -0.589882 0.776865 70.6012 33.9907 67.8572 # jumping subtree containing T0136:V 35 (34) jump= 0.652776 -0.65807 -0.107016 0.359687 59.0322 -13.1481 73.8819 # jumping subtree containing T0136:E 61 (60) jump= -0.96687 -0.0507621 -0.182459 -0.171155 -15.6803 -11.3016 5.31517 # jumping subtree containing T0136:K 77 (76) jump= -0.911591 -0.0487375 0.386409 -0.131586 47.9506 17.3398 -12.7066 # jumping subtree containing T0136:V 79 (78) jump= -0.0535585 0.0956801 -0.986659 -0.120336 74.8646 -19.1683 114.03 # jumping subtree containing T0136:A 46 (45) jump= 0.672901 -0.735223 0.0536865 0.0613905 14.4514 1.66374 136.817 # generation 65: best score out of 40: T0136.try1-al10 60.3076 cost/residue, 169 clashes 0.052205 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 60 ## CrossAndInsert 38 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 441 ## OptSubtree 833 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 53 (52) jump= -0.385542 -0.322242 -0.463691 -0.729731 -18.0774 -37.5715 -0.161198 # jumping subtree containing T0136:V 80 (79) jump= -0.883839 -0.14099 0.43837 0.0823534 89.1374 43.7356 22.426 # jumping subtree containing T0136:V 35 (34) jump= -0.866289 0.0732198 -0.465777 0.165029 6.57913 20.1673 51.2104 # generation 66: best score out of 40: T0136.try1-al10 60.3076 cost/residue, 169 clashes 0.0522045 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 60 ## CrossAndInsert 38 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 449 ## OptSubtree 850 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.986528 -0.017981 -0.115544 -0.114409 2.31037 -15.9616 29.1184 # jumping subtree containing T0136:E 61 (60) jump= 0.615746 0.414171 0.6606 0.113695 -65.2748 18.0253 79.6866 # jumping subtree containing T0136:G 29 (28) jump= 0.950523 -0.262584 0.142808 0.0846303 -4.54852 -14.4527 21.5921 # jumping subtree containing T0136:H 68 (67) jump= 0.262982 -0.854517 0.340594 -0.290924 -42.7583 47.0923 135.486 # jumping subtree containing T0136:K 77 (76) jump= -0.990883 0.133486 0.0126757 0.0131413 17.1019 -44.4703 10.0044 # jumping subtree containing T0136:K 77 (76) jump= 0.627988 0.399702 0.54783 0.381775 -59.7849 4.45222 55.9754 # jumping subtree containing T0136:R 66 (65) jump= -0.996131 -0.0812552 -0.0164661 0.0291554 -4.68268 -6.2902 -0.518407 # generation 67: best score out of 40: T0136.try1-al10 60.2467 cost/residue, 170 clashes 0.0531364 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 60 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 453 ## OptSubtree 869 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.991932 0.00251836 -0.0886619 0.090571 14.379 2.21558 -14.8252 # jumping subtree containing T0136:G 29 (28) jump= 0.999976 -0.00210253 0.0058548 0.00311322 -3.63401 26.6908 -4.04275 # jumping subtree containing T0136:R 66 (65) jump= 0.933868 -0.104067 -0.073421 -0.33417 -21.6131 38.8794 -5.97263 # jumping subtree containing T0136:R 66 (65) jump= 0.782768 0.449015 -0.0600398 -0.426679 42.4894 79.3919 48.2014 # jumping subtree containing T0136:E 61 (60) jump= 0.736207 -0.0767978 0.354927 -0.571076 -17.488 83.9883 68.439 # jumping subtree containing T0136:R 23 (22) jump= -0.0890765 -0.784764 0.0197087 -0.613044 -28.3658 43.7108 22.0523 # jumping subtree containing T0136:M 12 (11) jump= -0.575686 0.678917 0.44002 -0.118487 64.6041 -51.4004 119.64 # generation 68: best score out of 40: T0136.try1-al10 60.2467 cost/residue, 170 clashes 0.0531367 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 61 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 459 ## OptSubtree 891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.72911 -0.2254 -0.10461 -0.637691 34.2217 26.814 -20.359 # jumping subtree containing T0136:K 77 (76) jump= 0.577801 -0.529568 -0.605064 -0.140007 8.7994 -64.2664 80.5422 # jumping subtree containing T0136:G 29 (28) jump= 0.759705 -0.14143 0.0587578 0.631976 36.0086 -66.4138 16.9091 # jumping subtree containing T0136:R 66 (65) jump= -0.368025 -0.0968738 0.872428 0.306663 128.704 -10.732 101.827 # jumping subtree containing T0136:N 52 (51) jump= 0.994741 -0.0933548 0.0212447 0.0363851 -6.09624 -23.5387 12.0095 # jumping subtree containing T0136:R 66 (65) jump= 0.453493 0.135987 0.686649 0.551693 -38.6535 -53.6169 78.1802 # jumping subtree containing T0136:S 40 (39) jump= -0.970297 0.241328 -0.0120027 0.0118574 3.70066 -7.20679 14.3433 # jumping subtree containing T0136:K 77 (76) jump= -0.133386 -0.804175 0.39257 0.425911 85.0347 50.3602 124.124 # jumping subtree containing T0136:K 77 (76) jump= -0.930611 -0.119487 0.0669596 0.339416 14.9918 43.2263 -2.63885 # jumping subtree containing T0136:K 77 (76) jump= -0.997718 -0.0574099 -0.018503 0.0303516 -1.19553 22.365 -8.73726 # jumping subtree containing T0136:G 29 (28) jump= -0.827368 0.459963 -0.160058 0.279782 -19.9912 1.71153 45.8366 # generation 69: best score out of 40: T0136.try1-al10 60.2467 cost/residue, 170 clashes 0.0531362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 61 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 465 ## OptSubtree 917 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.974779 0.107482 -0.082656 0.177259 -43.3911 -0.0455627 36.4846 # jumping subtree containing T0136:R 66 (65) jump= 0.118933 -0.732568 0.390847 0.544461 102.614 14.4476 88.7259 # jumping subtree containing T0136:R 66 (65) jump= 0.810404 -0.208997 0.0777961 0.541768 56.0537 -54.3619 24.8351 # jumping subtree containing T0136:R 66 (65) jump= -0.0865479 -0.106071 0.939786 0.313146 91.6908 -16.228 147.169 # jumping subtree containing T0136:R 66 (65) jump= 0.859117 0.146161 -0.237153 0.429316 73.0128 -5.25075 -48.7734 # jumping subtree containing T0136:G 29 (28) jump= -0.97166 0.209426 0.0800086 0.0749389 -8.84741 -37.3952 11.4305 # jumping subtree containing T0136:G 29 (28) jump= 0.34508 0.299877 -0.455642 0.763796 55.9788 105.207 66.0955 # jumping subtree containing T0136:K 77 (76) jump= 0.730159 0.099071 -0.558661 -0.380723 112.905 2.54562 19.7624 # jumping subtree containing T0136:A 46 (45) jump= -0.501714 0.0189551 -0.860833 -0.083012 -7.23832 -20.7837 112.586 # generation 70: best score out of 40: T0136.try1-al10 60.2467 cost/residue, 170 clashes 0.053136 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 61 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 471 ## OptSubtree 935 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.0516012 0.213472 -0.945563 -0.240161 53.5828 -7.67162 152.616 # jumping subtree containing T0136:A 46 (45) jump= -0.588233 0.682004 0.42385 0.0959355 41.7081 -53.8174 96.75 # Removing break before 34 # jumping subtree containing T0136:G 29 (28) jump= -0.922497 0.101679 0.31047 0.205592 32.5448 10.1613 -42.3257 # jumping subtree containing T0136:K 77 (76) jump= 0.809874 0.149675 -0.142922 0.548885 27.129 30.809 11.7737 # jumping subtree containing T0136:A 46 (45) jump= -0.992384 -0.0148414 0.0945445 0.0775517 9.75187 27.9547 -5.49822 # jumping subtree containing T0136:E 61 (60) jump= 0.856412 -0.191956 -0.436874 -0.197113 60.3606 -17.0742 27.1807 # generation 71: best score out of 40: T0136.try1-al10 60.2467 cost/residue, 170 clashes 0.0531363 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 61 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 480 ## OptSubtree 950 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.971489 -0.235674 -0.0209657 0.0151152 -22.0277 -35.1978 34.0285 # jumping subtree containing T0136:A 46 (45) jump= 0.393529 0.422984 0.74741 -0.32802 -6.96119 123.225 216.988 # Removing break before 34 # jumping subtree containing T0136:L 19 (18) jump= -0.326947 0.0607626 0.653937 -0.679544 54.1558 116.569 94.9026 # jumping subtree containing T0136:E 61 (60) jump= -0.817575 -0.481927 -0.184934 -0.255182 -36.9789 75.786 3.31273 # jumping subtree containing T0136:R 66 (65) jump= 0.929998 0.10922 -0.350883 0.00743598 63.5455 15.3964 -22.3185 # jumping subtree containing T0136:L 53 (52) jump= 0.600796 0.0346644 0.00667653 -0.798623 41.2117 85.7921 -5.31621 # jumping subtree containing T0136:G 29 (28) jump= 0.999345 0.0349879 -0.00912532 -0.00170847 -25.8981 12.0442 8.75815 # jumping subtree containing T0136:G 29 (28) jump= -0.348958 -0.0473596 0.171952 0.92001 65.0575 4.11359 -6.06573 # generation 72: best score out of 40: T0136.try1-al10 60.2466 cost/residue, 170 clashes 0.0531358 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 63 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 488 ## OptSubtree 964 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= -0.24892 0.425005 -0.601728 0.628755 -68.6989 106.473 161.381 # jumping subtree containing T0136:R 66 (65) jump= -0.182325 -0.807692 0.23498 0.509094 145.938 97.2134 196.241 # jumping subtree containing T0136:E 36 (35) jump= -0.998469 0.0219888 -0.0334024 0.0382205 0.326494 17.3846 4.31275 # jumping subtree containing T0136:V 35 (34) jump= -0.641191 0.55361 0.495508 0.191993 52.6657 -95.3369 131.482 # jumping subtree containing T0136:R 66 (65) jump= 0.316864 -0.606092 0.124491 0.718855 112.724 -52.6052 122.463 # jumping subtree containing T0136:V 80 (79) jump= 0.786555 -0.205878 0.226932 0.536141 16.929 -33.7149 41.9039 # Removing break before 34 # jumping subtree containing T0136:G 29 (28) jump= 0.585692 -0.393884 -0.562486 -0.430614 54.1935 -94.7776 74.8605 # generation 73: best score out of 40: T0136.try1-al10 60.2466 cost/residue, 170 clashes 0.0531353 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 63 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 496 ## OptSubtree 980 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= -0.741665 0.309911 0.0646041 -0.591366 70.8024 -49.8368 33.2185 # jumping subtree containing T0136:R 66 (65) jump= 0.130128 -0.92003 -0.21614 0.299824 73.0939 13.1673 246.677 # jumping subtree containing T0136:K 77 (76) jump= 0.56329 -0.69354 -0.0825629 0.441464 91.8743 -73.2233 153.868 # jumping subtree containing T0136:K 77 (76) jump= -0.691465 -0.150347 -0.169821 0.685881 -41.3584 86.5771 28.0638 # jumping subtree containing T0136:A 46 (45) jump= 0.729322 0.602922 0.180127 0.268568 -56.1615 97.4805 76.9193 # jumping subtree containing T0136:R 66 (65) jump= 0.925998 0.225587 -0.214807 0.213298 62.3011 85.7522 13.6048 # jumping subtree containing T0136:V 35 (34) jump= 0.97232 -0.138269 -0.182498 0.0465859 53.6086 -49.4923 -6.18243 # jumping subtree containing T0136:V 35 (34) jump= 0.61385 -0.701224 0.165022 -0.322864 -44.5634 -13.1771 130.536 # jumping subtree containing T0136:E 61 (60) jump= 0.918678 0.0419013 0.384905 -0.078248 -86.1187 35.9265 32.1536 # generation 74: best score out of 40: T0136.try1-al10 60.2466 cost/residue, 170 clashes 0.0531353 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 64 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 508 ## OptSubtree 991 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.962496 -0.261428 0.0340106 0.0640371 15.6747 -80.5781 46.9465 # jumping subtree containing T0136:R 66 (65) jump= -0.196456 -0.377666 0.187185 0.885288 118.661 57.0567 53.8207 # Removing break before 39 # jumping subtree containing T0136:E 61 (60) jump= 0.975456 -0.117477 -0.180446 0.0460953 35.7989 -25.0236 33.5053 # jumping subtree containing T0136:A 1 (0) jump= 0.953614 0.0661534 -0.262673 0.131327 75.0472 8.74797 -6.64679 # jumping subtree containing T0136:V 35 (34) jump= 0.366078 0.790892 0.0377608 0.488928 -65.5684 142.914 130.894 # jumping subtree containing T0136:R 66 (65) jump= 0.663448 -0.583749 -0.467021 -0.0310724 89.1961 -118.638 88.2932 # jumping subtree containing T0136:R 66 (65) jump= -0.713353 0.190478 -0.279048 -0.613985 1.45679 -83.6301 45.8144 # Removing break before 34 # jumping subtree containing T0136:A 1 (0) jump= 0.797339 0.226531 -0.269464 -0.490228 92.2749 53.0634 22.1507 # jumping subtree containing T0136:G 29 (28) jump= 0.636592 -0.0599441 -0.535338 0.55188 110.342 63.8061 93.5842 # jumping subtree containing T0136:G 29 (28) jump= -0.121854 -0.885191 -0.319597 -0.315352 -107.259 76.9044 215.457 # Removing break before 39 # jumping subtree containing T0136:G 29 (28) jump= -0.466276 -0.338639 0.639749 -0.508559 75.3144 126.457 124.475 # jumping subtree containing T0136:E 61 (60) jump= -0.480402 -0.314344 0.727593 0.375512 126.022 -2.62857 157.32 # generation 75: best score out of 40: T0136.try1-al10 60.2466 cost/residue, 170 clashes 0.0531353 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 66 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 516 ## OptSubtree 1005 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.221664 -0.352235 -0.895884 -0.155524 66.7466 -54.8461 228.927 # jumping subtree containing T0136:R 66 (65) jump= -0.651538 0.0354461 -0.173756 -0.737598 29.9226 -53.559 36.3483 # jumping subtree containing T0136:G 29 (28) jump= 0.126168 -0.0937621 0.721037 0.674831 55.2732 -114.181 100.115 # jumping subtree containing T0136:K 77 (76) jump= 0.785353 0.160341 0.204818 0.561749 -12.1731 11.8935 -15.1349 # jumping subtree containing T0136:A 46 (45) jump= 0.403111 0.821839 -0.34351 -0.209959 78.8024 99.1184 197.057 # jumping subtree containing T0136:E 61 (60) jump= 0.980509 -0.00603515 0.195428 -0.0193198 -54.8031 8.40055 42.3484 # jumping subtree containing T0136:N 52 (51) jump= -0.982798 -0.129347 -0.128036 -0.0313585 -46.721 20.3493 -10.248 # jumping subtree containing T0136:K 77 (76) jump= 0.0543847 0.0683075 -0.875689 -0.474915 52.4612 -61.2671 90.1621 # jumping subtree containing T0136:V 35 (34) jump= -0.992441 -0.0567205 0.0143512 -0.107878 29.3594 -7.82723 -5.14883 # generation 76: best score out of 40: T0136.try1-al10 60.2465 cost/residue, 170 clashes 0.0531345 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 67 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 517 ## OptSubtree 1027 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.50875 0.612856 -0.595583 -0.104222 125.511 111.643 139.061 # jumping subtree containing T0136:A 46 (45) jump= 0.674485 -0.00827295 0.354261 0.647689 39.4968 -58.7554 23.1299 # jumping subtree containing T0136:L 53 (52) jump= 0.907222 0.164135 0.00510184 0.387274 18.2937 44.3279 12.1625 # jumping subtree containing T0136:R 66 (65) jump= -0.506227 -0.218125 0.274713 0.787838 107.306 70.5742 22.3065 # jumping subtree containing T0136:R 66 (65) jump= 0.437412 -0.730054 -0.460468 -0.252314 2.56084 -117.444 173.216 # jumping subtree containing T0136:L 53 (52) jump= -0.586533 -0.564078 0.560998 -0.151908 132.31 179.098 109.296 # jumping subtree containing T0136:L 53 (52) jump= -0.891779 0.430228 -0.0454563 0.132547 -42.315 -98.3491 52.6919 # jumping subtree containing T0136:G 29 (28) jump= -0.981777 0.135613 0.0850378 0.102427 25.6874 -25.99 0.439014 # jumping subtree containing T0136:A 1 (0) jump= 0.133745 0.73677 -0.47968 0.457372 -26.1178 117.289 201.546 # generation 77: best score out of 40: T0136.try1-al10 60.2393 cost/residue, 173 clashes 0.0531357 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 313 ## TwoFragment 7 ## CrossOver 68 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 517 ## OptSubtree 1049 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.154357 0.638244 0.257815 -0.708766 157.43 63.2169 167.825 # Removing break before 34 # jumping subtree containing T0136:G 29 (28) jump= 0.793058 -0.0135373 -0.245131 0.557482 86.3073 -0.0166626 4.73105 # jumping subtree containing T0136:R 66 (65) jump= 0.953434 0.164227 0.103193 -0.230965 -27.9861 41.7737 11.9932 # jumping subtree containing T0136:D 55 (54) jump= -0.202609 -0.0957549 0.613925 0.756886 105.805 -75.4868 91.7304 # jumping subtree containing T0136:R 66 (65) jump= 0.424504 0.62805 0.519292 -0.394571 -2.64009 163.857 205.6 # jumping subtree containing T0136:R 66 (65) jump= 0.0226726 -0.823983 0.537652 -0.177395 -36.1743 53.6628 278.807 # jumping subtree containing T0136:R 66 (65) jump= -0.785711 -0.0948712 0.43049 -0.433977 87.8423 44.4497 45.9139 # jumping subtree containing T0136:G 29 (28) jump= -0.898195 -0.402785 -0.161514 0.0701666 -39.3534 101.235 33.5294 # jumping subtree containing T0136:A 1 (0) jump= -0.744096 0.638589 0.186882 0.0600066 11.053 -117.401 148.087 # jumping subtree containing T0136:G 29 (28) jump= -0.932663 -0.239472 -0.185003 0.196386 -46.2089 62.817 15.0418 # jumping subtree containing T0136:R 66 (65) jump= -0.314671 -0.910638 -0.118912 -0.23996 -90.0169 132.007 234.989 # jumping subtree containing T0136:K 77 (76) jump= -0.921381 0.327455 0.208057 -0.0232995 46.6607 -92.3257 15.6255 # generation 78: best score out of 40: T0136.try1-al10 60.066 cost/residue, 170 clashes 0.0376168 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 315 ## TwoFragment 7 ## CrossOver 70 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 526 ## OptSubtree 1060 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= -0.977321 0.0479189 -0.0368334 0.202956 6.08518 -12.7343 -1.35149 # jumping subtree containing T0136:K 77 (76) jump= -0.998828 -0.0279923 -0.0170832 0.0355896 -27.2072 23.7674 8.48502 # jumping subtree containing T0136:E 61 (60) jump= -0.999994 0.00272787 0.00166526 0.00109842 -19.4991 -13.5917 -1.70007 # jumping subtree containing T0136:K 77 (76) jump= -0.312962 -0.338115 0.379985 -0.802088 20.3133 125.119 73.576 # jumping subtree containing T0136:N 5 (4) jump= 0.193262 -0.135167 0.697512 0.676651 55.0445 -96.3942 101.404 # jumping subtree containing T0136:S 40 (39) jump= -0.905573 0.256611 0.312091 -0.129179 88.4894 -34.934 42.0387 # generation 79: best score out of 40: T0136.try1-al10 59.9563 cost/residue, 174 clashes 0.0440176 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 316 ## TwoFragment 7 ## CrossOver 72 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 533 ## OptSubtree 1084 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= 0.999748 0.0092326 -0.0103481 0.0176542 1.46219 -14.7755 17.8218 # jumping subtree containing T0136:K 77 (76) jump= -0.286864 -0.883001 -0.367174 -0.0565854 -63.5811 64.2269 238.338 # jumping subtree containing T0136:K 77 (76) jump= 0.507309 -0.131285 -0.815373 0.246107 185.811 17.7121 168.923 # jumping subtree containing T0136:G 29 (28) jump= 0.0807045 0.432572 0.0125024 0.897893 -47.1136 97.7183 30.3446 # jumping subtree containing T0136:E 61 (60) jump= 0.727241 0.0513633 0.555505 0.399871 -73.7887 -49.051 110.117 # generation 80: best score out of 40: T0136.try1-al10 59.9563 cost/residue, 174 clashes 0.0440176 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 316 ## TwoFragment 7 ## CrossOver 74 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 545 ## OptSubtree 1105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.752088 0.582265 -0.0708627 -0.300517 32.1592 -133.677 82.9529 # jumping subtree containing T0136:V 35 (34) jump= -0.870573 -0.162665 0.309084 -0.346569 86.5254 75.7601 28.7114 # jumping subtree containing T0136:K 77 (76) jump= 0.450888 -0.585219 -0.403171 -0.540066 -25.7327 -99.7295 80.4652 # jumping subtree containing T0136:N 3 (2) jump= -0.625596 -0.639133 -0.132502 -0.427295 -70.538 112.836 76.7269 # jumping subtree containing T0136:G 29 (28) jump= -0.0592783 0.0701587 -0.181814 0.979034 17.7818 53.9821 21.5393 # jumping subtree containing T0136:R 49 (48) jump= 0.96759 -0.0884716 0.0578607 -0.229334 -20.1292 -12.9057 16.0492 # jumping subtree containing T0136:R 23 (22) jump= 0.992527 0.00687778 0.119775 -0.0223022 -22.6568 1.6648 -16.232 # jumping subtree containing T0136:T 11 (10) jump= 0.613644 -0.693219 -0.373138 0.0604696 71.0482 -110.852 178.899 # generation 81: best score out of 40: T0136.try1-al10 59.9563 cost/residue, 174 clashes 0.0440176 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 316 ## TwoFragment 7 ## CrossOver 74 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 557 ## OptSubtree 1125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.899844 -0.347697 -0.262486 0.0220988 -47.2464 108.059 47.9062 # jumping subtree containing T0136:G 29 (28) jump= 0.253048 -0.414342 -0.785463 0.383844 111.049 63.1105 223.956 # jumping subtree containing T0136:K 77 (76) jump= 0.815805 0.232475 0.00598468 0.529511 20.4815 25.965 14.4958 # jumping subtree containing T0136:N 5 (4) jump= 0.9725 -0.0408136 -0.108487 0.202012 40.9073 -44.1636 -3.82687 # jumping subtree containing T0136:K 77 (76) jump= 0.269379 -0.22765 0.677123 -0.645844 -61.5135 98.0496 126.873 # jumping subtree containing T0136:R 66 (65) jump= -0.796543 -0.559878 0.21767 0.068374 72.8841 107.827 45.9294 # jumping subtree containing T0136:R 66 (65) jump= 0.308775 0.91873 -0.194471 0.15091 -12.2669 139.879 207.228 # jumping subtree containing T0136:K 77 (76) jump= -0.142594 0.663368 -0.374134 -0.632166 147.85 -53.8315 167.044 # jumping subtree containing T0136:L 19 (18) jump= 0.739723 -0.000682137 0.59871 -0.307173 -93.1611 82.151 102.709 # jumping subtree containing T0136:K 77 (76) jump= 0.704628 -0.516709 -0.381027 0.302208 100.176 -69.5668 113.529 # jumping subtree containing T0136:K 77 (76) jump= -0.902568 0.371777 -0.0245766 -0.215752 15.3801 -92.7878 53.0803 # generation 82: best score out of 40: T0136.try1-al10 59.9562 cost/residue, 174 clashes 0.0440184 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 316 ## TwoFragment 7 ## CrossOver 75 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 563 ## OptSubtree 1142 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.050356 0.16623 -0.17949 -0.968305 97.7446 4.60147 22.5861 # jumping subtree containing T0136:R 66 (65) jump= 0.144526 -0.923571 0.322781 0.148124 66.9138 -14.2925 337.203 # jumping subtree containing T0136:R 66 (65) jump= 0.82141 -0.0123479 0.53005 -0.21019 -134.968 43.5937 77.6836 # jumping subtree containing T0136:R 66 (65) jump= -0.545002 0.142684 0.40643 0.719325 73.1191 -85.1614 24.8267 # jumping subtree containing T0136:F 59 (58) jump= -0.998203 -0.0485065 0.00661548 -0.034549 -10.4036 22.0305 -5.37921 # jumping subtree containing T0136:G 29 (28) jump= -0.951242 -0.146376 0.0689388 0.262602 12.6617 48.028 -15.0482 # jumping subtree containing T0136:K 77 (76) jump= -0.252047 0.34013 -0.849724 0.314249 -59.32 56.8135 268.651 # jumping subtree containing T0136:E 61 (60) jump= 0.406787 -0.00906286 0.112544 0.906519 50.8968 -26.6323 -23.3341 # jumping subtree containing T0136:A 1 (0) jump= -0.701197 0.471456 0.0338329 0.533768 -84.9613 -13.8774 78.5003 # jumping subtree containing T0136:R 66 (65) jump= -0.389861 0.658406 0.271718 -0.583677 159.046 -50.9633 175.545 # jumping subtree containing T0136:R 66 (65) jump= 0.168923 0.558064 0.430247 -0.689142 101.979 150.228 175.886 # generation 83: best score out of 40: T0136.try1-al10 59.9191 cost/residue, 154 clashes 0.0440183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 317 ## TwoFragment 7 ## CrossOver 76 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 567 ## OptSubtree 1160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.778929 -0.612874 0.114444 0.067517 4.04123 -80.6103 168.379 # jumping subtree containing T0136:S 40 (39) jump= 0.0735347 -0.515439 0.121321 0.845101 145.1 -0.279931 92.4667 # jumping subtree containing T0136:A 46 (45) jump= 0.370983 -0.246828 -0.872141 0.202033 141.216 20.5536 186.921 # jumping subtree containing T0136:A 1 (0) jump= 0.726412 0.0636206 -0.52653 -0.437087 123.459 -18.6736 52.4634 # jumping subtree containing T0136:K 77 (76) jump= 0.180177 -0.94507 -0.00412062 -0.272695 -54.4289 -29.0229 242.666 # jumping subtree containing T0136:N 51 (50) jump= -0.110343 0.342986 -0.487498 0.795318 -40.5293 135.904 105.586 # jumping subtree containing T0136:K 77 (76) jump= -0.635647 -0.437611 0.505207 0.386284 136.581 44.7457 103.38 # jumping subtree containing T0136:K 77 (76) jump= -0.672704 -0.366501 -0.378809 -0.519278 -71.5817 25.2179 45.0604 # generation 84: best score out of 40: T0136.try1-al10 59.919 cost/residue, 154 clashes 0.0440177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 317 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 573 ## OptSubtree 1176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.974941 -0.143487 0.158034 -0.0626599 -50.0251 -16.2967 7.22174 # jumping subtree containing T0136:A 1 (0) jump= -0.582147 -0.52244 -0.40609 0.472497 24.1715 139.849 128.871 # jumping subtree containing T0136:K 77 (76) jump= 0.891902 0.24438 -0.14344 0.352439 13.5384 58.7507 25.5788 # jumping subtree containing T0136:G 29 (28) jump= -0.550961 -0.687653 -0.325404 0.343056 31.5477 119.755 194.091 # jumping subtree containing T0136:L 53 (52) jump= 0.91778 -0.306659 0.249152 0.0395372 -48.3252 -84.4939 80.0801 # jumping subtree containing T0136:A 46 (45) jump= 0.998569 0.0303081 -0.014893 0.0414679 -15.562 10.3765 -21.0524 # jumping subtree containing T0136:G 29 (28) jump= 0.988362 0.060932 0.139003 -0.0102989 -26.1908 -5.32625 18.1117 # generation 85: best score out of 40: T0136.try1-al10 59.919 cost/residue, 154 clashes 0.0440177 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 317 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 585 ## OptSubtree 1201 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.994131 0.0842887 0.0110794 -0.0669043 -9.32968 13.8462 27.8728 # jumping subtree containing T0136:E 61 (60) jump= -0.335436 -0.203879 -0.919687 -0.00959443 -4.73066 -17.0308 248.619 # Removing break before 39 # jumping subtree containing T0136:G 29 (28) jump= 0.922945 -0.253626 0.0385173 0.286989 52.1065 -90.2696 24.2163 # jumping subtree containing T0136:L 53 (52) jump= -0.681772 -0.058076 0.486186 -0.543541 99.1157 55.3221 61.3994 # jumping subtree containing T0136:K 77 (76) jump= -0.556596 0.485088 -0.562414 -0.372266 11.475 -117.481 155.863 # jumping subtree containing T0136:R 23 (22) jump= 0.236275 -0.63042 0.158768 -0.722176 -73.7639 47.1859 75.7293 # jumping subtree containing T0136:E 61 (60) jump= -0.189792 0.543534 -0.239225 -0.78187 133.904 -84.5412 120.664 # jumping subtree containing T0136:R 66 (65) jump= 0.794129 -0.0484155 -0.504271 0.335747 158.541 27.8981 43.3312 # jumping subtree containing T0136:R 23 (22) jump= -0.995459 0.0561066 0.0626205 0.0446271 31.86 -25.8101 4.12486 # jumping subtree containing T0136:E 61 (60) jump= -0.946263 0.32013 -0.00178334 0.0458364 -13.2061 -69.6301 42.9859 # jumping subtree containing T0136:R 66 (65) jump= -0.986072 -0.0737528 0.0903985 -0.118538 32.2804 27.8645 -21.1471 # jumping subtree containing T0136:K 77 (76) jump= 0.697318 0.119469 -0.258758 0.657662 89.2422 33.6602 21.9261 # jumping subtree containing T0136:G 29 (28) jump= 0.957944 -0.0492788 -0.00422702 -0.282662 3.35312 3.31587 25.539 # jumping subtree containing T0136:K 77 (76) jump= 0.371922 0.450013 -0.668989 0.460018 37.5101 135.033 147.369 # jumping subtree containing T0136:V 35 (34) jump= -0.169172 -0.0849051 0.329387 0.925028 71.3314 -57.9571 18.4316 # jumping subtree containing T0136:G 29 (28) jump= 0.0901164 0.774091 -0.0229169 -0.626209 128.414 36.4891 151.928 # jumping subtree containing T0136:R 66 (65) jump= -0.94754 0.200585 -0.19882 0.149678 -55.1219 -28.8663 50.9184 # generation 86: best score out of 40: T0136.try1-al10 59.4244 cost/residue, 159 clashes 0.0440182 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 591 ## OptSubtree 1219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 53 (52) jump= 0.921725 0.379647 -0.0643834 0.0463206 25.3259 89.4382 -0.248932 # jumping subtree containing T0136:S 40 (39) jump= -0.950968 -0.238155 -0.00829435 0.197161 27.6615 66.2795 18.0895 # jumping subtree containing T0136:G 29 (28) jump= -0.666921 -0.326066 0.656948 -0.131594 133.575 101.765 116.334 # jumping subtree containing T0136:K 77 (76) jump= 0.933671 0.0912666 0.0840582 -0.335951 -26.4147 55.7033 14.182 # jumping subtree containing T0136:G 29 (28) jump= -0.579394 0.166961 -0.418663 -0.679079 -7.76554 -83.419 53.0906 # jumping subtree containing T0136:L 53 (52) jump= -0.341621 -0.917245 0.204092 -0.0174441 0.716593 117.927 189.095 # jumping subtree containing T0136:R 66 (65) jump= 0.387527 0.108059 0.505718 0.763148 -23.9999 -135.671 87.0153 # jumping subtree containing T0136:G 29 (28) jump= 0.535153 0.826304 0.17354 0.0267688 -22.2404 127.244 183.619 # jumping subtree containing T0136:A 1 (0) jump= 0.431614 0.274098 -0.00883754 0.859361 7.69599 55.9416 25.8182 # jumping subtree containing T0136:G 29 (28) jump= -0.203276 -0.341075 -0.846667 0.354263 24.4075 84.8299 236.878 # generation 87: best score out of 40: T0136.try1-al10 59.4243 cost/residue, 159 clashes 0.044018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 596 ## OptSubtree 1238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.818277 -0.0971222 -0.565065 -0.0411253 113.025 -6.35441 77.628 # jumping subtree containing T0136:R 66 (65) jump= 0.875718 0.333217 0.0188225 -0.348897 12.3593 90.4304 15.2021 # jumping subtree containing T0136:R 66 (65) jump= -0.974138 -0.17252 0.00192939 0.145904 -21.7091 56.1662 5.26594 # jumping subtree containing T0136:E 61 (60) jump= -0.383559 -0.122398 0.567573 0.718165 148.954 -67.7526 60.2419 # jumping subtree containing T0136:N 52 (51) jump= -0.99628 0.0336472 0.058412 0.0536765 29.9101 -12.1704 19.4811 # jumping subtree containing T0136:Q 22 (21) jump= -0.983368 -0.125175 -0.130615 -0.0160818 -31.7482 32.0601 11.699 # jumping subtree containing T0136:R 66 (65) jump= 0.245517 0.31694 -0.599277 0.692919 -26.3687 120.712 108.666 # jumping subtree containing T0136:G 29 (28) jump= 0.776157 -0.507301 0.313867 0.204239 -9.57613 -107.287 93.9023 # jumping subtree containing T0136:A 28 (27) jump= 0.973176 0.00924218 -0.147588 -0.176239 49.3153 10.6347 -9.30163 # jumping subtree containing T0136:R 66 (65) jump= -0.0991503 -0.945268 -0.132843 0.281052 72.1981 35.6285 245.99 # jumping subtree containing T0136:K 77 (76) jump= 0.988667 -0.0117431 -0.149079 0.0132042 44.1964 14.3462 -10.3281 # generation 88: best score out of 40: T0136.try1-al10 59.4243 cost/residue, 159 clashes 0.044018 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 614 ## OptSubtree 1255 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.497882 0.672813 -0.464534 0.289216 -87.1976 -27.7068 185.259 # jumping subtree containing T0136:R 66 (65) jump= -0.595175 -0.581179 0.310108 -0.46025 11.4759 167.228 106.62 # jumping subtree containing T0136:R 66 (65) jump= 0.518141 0.592137 -0.176685 0.591343 -37.4251 141.343 64.4924 # jumping subtree containing T0136:G 29 (28) jump= 0.756147 0.160686 0.577602 -0.262292 -79.255 68.0663 103.021 # jumping subtree containing T0136:R 66 (65) jump= 0.367296 -0.431231 0.636471 -0.523486 -106.368 66.6824 197.388 # jumping subtree containing T0136:E 61 (60) jump= -0.03569 -0.967309 -0.0588277 -0.244088 -52.348 18.163 274.371 # jumping subtree containing T0136:K 77 (76) jump= 0.743101 0.655678 -0.12838 0.0374859 30.8695 146.85 100.542 # generation 89: best score out of 40: T0136.try1-al10 59.4243 cost/residue, 159 clashes 0.0440179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 79 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 617 ## OptSubtree 1275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= 0.046973 -0.0776347 -0.524073 0.846825 30.4515 137.414 83.8577 # jumping subtree containing T0136:A 46 (45) jump= -0.292454 -0.288506 -0.436166 0.800621 71.324 132.017 80.3707 # jumping subtree containing T0136:E 32 (31) jump= 0.613708 -0.0625083 0.706103 0.347669 -76.8424 -95.9549 155.815 # jumping subtree containing T0136:L 53 (52) jump= 0.907109 -0.147675 0.391972 -0.0412632 -62.7626 -21.5445 57.0567 # jumping subtree containing T0136:F 73 (72) jump= -0.937291 -0.168411 -0.238457 -0.190423 -51.0726 28.1065 19.6369 # jumping subtree containing T0136:K 77 (76) jump= 0.999582 -0.0105204 0.0180668 0.0199533 8.15405 -20.1035 -14.3225 # jumping subtree containing T0136:G 29 (28) jump= 0.191695 0.270973 0.714645 -0.615719 25.6573 123.009 154.04 # jumping subtree containing T0136:V 79 (78) jump= -0.99188 0.0949953 -0.0490698 0.0688643 10.2318 -28.6175 8.93076 # jumping subtree containing T0136:N 52 (51) jump= -0.4452 -0.0942079 -0.801165 -0.38866 -40.1975 -60.2558 160.626 # jumping subtree containing T0136:K 77 (76) jump= 0.895481 -0.27842 -0.209676 0.276826 102.431 -62.7357 39.9849 # generation 90: best score out of 40: T0136.try1-al10 59.4243 cost/residue, 159 clashes 0.0440183 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 82 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 621 ## OptSubtree 1292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.223458 -0.209231 0.78352 -0.540727 -38.3052 132.135 179.591 # jumping subtree containing T0136:G 29 (28) jump= -0.961975 0.159342 0.210638 0.0696119 64.0888 -48.4444 28.2867 # jumping subtree containing T0136:S 40 (39) jump= -0.723967 0.211292 -0.0617244 -0.653772 39.7187 -58.2774 25.1541 # jumping subtree containing T0136:K 77 (76) jump= 0.56477 -0.411305 -0.601366 -0.387585 53.2628 -125.203 90.4703 # jumping subtree containing T0136:K 77 (76) jump= -0.972949 -0.00393909 -0.216257 0.08117 -70.134 23.6863 40.9388 # jumping subtree containing T0136:L 19 (18) jump= 0.545418 -0.602317 0.0877842 0.576219 89.6598 -88.1666 106.827 # generation 91: best score out of 40: T0136.try1-al10 59.4243 cost/residue, 159 clashes 0.0440185 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 83 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 624 ## OptSubtree 1312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 73 (72) jump= 0.804022 0.302908 -0.50667 -0.0712736 131.029 48.4944 59.5216 # jumping subtree containing T0136:G 29 (28) jump= 0.95539 -0.138508 -0.180501 0.18832 65.9507 -37.1051 12.5248 # jumping subtree containing T0136:G 29 (28) jump= -0.211728 0.464903 -0.438739 -0.739286 83.0058 -89.7323 117.698 # jumping subtree containing T0136:R 66 (65) jump= 0.770723 0.252925 0.584721 0.0107651 -125.733 37.1457 127.218 # jumping subtree containing T0136:G 29 (28) jump= -0.610052 0.77293 -0.137718 -0.107004 -1.14834 -86.6223 192.826 # jumping subtree containing T0136:L 53 (52) jump= 0.5683 -0.797082 -0.121189 0.164342 60.9622 -75.3997 170.365 # jumping subtree containing T0136:R 23 (22) jump= 0.967385 -0.141723 -0.11674 -0.174507 -0.430637 -9.60218 13.6431 # jumping subtree containing T0136:R 66 (65) jump= -0.686126 -0.0947096 -0.274706 0.666932 -18.8104 106.486 32.3271 # generation 92: best score out of 40: T0136.try1-al10 59.4243 cost/residue, 159 clashes 0.0440185 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 84 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 631 ## OptSubtree 1328 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= -0.642211 0.5116 -0.142129 0.552838 -87.4315 -28.491 99.7332 # jumping subtree containing T0136:R 66 (65) jump= 0.765134 0.202667 -0.016874 0.610911 23.8186 -5.76081 18.9328 # jumping subtree containing T0136:S 40 (39) jump= 0.510581 -0.251505 0.778346 -0.265009 -97.4316 89.1622 287.436 # jumping subtree containing T0136:G 29 (28) jump= 0.158728 -0.347252 0.896948 -0.222948 -7.35872 94.5035 319.11 # jumping subtree containing T0136:K 77 (76) jump= 0.994376 -0.0886901 -0.0300305 -0.0494926 -3.44845 -43.3039 -15.5844 # jumping subtree containing T0136:K 77 (76) jump= 0.220685 -0.0485745 -0.0659891 0.971897 39.0829 11.0481 -23.7143 # jumping subtree containing T0136:L 19 (18) jump= 0.616858 0.440044 0.155194 -0.633847 39.9595 111.016 72.955 # jumping subtree containing T0136:L 53 (52) jump= -0.743069 -0.297435 -0.348914 0.487484 -23.1827 146.885 102.974 # generation 93: best score out of 40: T0136.try1-al10 59.4208 cost/residue, 159 clashes 0.0439629 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 86 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 635 ## OptSubtree 1345 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.295877 0.301932 -0.543045 -0.725532 140.173 -52.6692 63.3209 # jumping subtree containing T0136:E 61 (60) jump= 0.985203 0.000787523 -0.168615 -0.0307139 62.0893 13.3451 8.65167 # jumping subtree containing T0136:R 66 (65) jump= -0.553001 -0.414592 0.270073 -0.670346 -12.5585 101.157 75.0138 # jumping subtree containing T0136:Q 44 (43) jump= 0.499913 -0.431785 -0.273636 0.699122 195.794 -22.2866 121.33 # generation 94: best score out of 40: T0136.try1-al10 59.4208 cost/residue, 159 clashes 0.0439629 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 643 ## OptSubtree 1360 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= -0.448914 0.123326 0.809184 -0.358451 127.302 74.8471 165.67 # jumping subtree containing T0136:E 61 (60) jump= 0.41235 -0.706443 -0.526712 -0.23126 29.3509 -113.682 208.95 # jumping subtree containing T0136:K 77 (76) jump= 0.865882 -0.468793 0.068606 0.160547 21.5687 -115.902 87.4953 # jumping subtree containing T0136:L 8 (7) jump= 0.44361 0.28124 0.138626 -0.839582 70.3512 103.183 40.5146 # jumping subtree containing T0136:E 61 (60) jump= -0.865456 -0.100719 -0.0615001 -0.486887 -18.0416 -54.607 13.0556 # generation 95: best score out of 40: T0136.try1-al10 59.4207 cost/residue, 159 clashes 0.0439627 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 655 ## OptSubtree 1381 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.0280423 -0.350081 0.702106 -0.619439 3.84983 150.852 170.54 # jumping subtree containing T0136:S 40 (39) jump= 0.993372 -0.089135 -0.0441809 0.0575838 34.0738 -15.5905 -1.69019 # jumping subtree containing T0136:E 61 (60) jump= 0.986696 0.0441223 0.149732 0.0454261 -42.6858 26.8894 7.21047 # jumping subtree containing T0136:E 61 (60) jump= -0.636621 0.384517 0.502966 0.440325 26.9239 -97.5721 62.3727 # jumping subtree containing T0136:S 40 (39) jump= 0.953898 0.150921 -0.138798 0.21917 23.1285 14.4421 -6.21536 # jumping subtree containing T0136:G 29 (28) jump= 0.0957689 0.389531 0.364717 0.840283 -54.8298 -72.6113 44.9377 # generation 96: best score out of 40: T0136.try1-al10 59.4207 cost/residue, 159 clashes 0.0439627 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 89 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 660 ## OptSubtree 1398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= 0.522048 -0.0133781 -0.316206 -0.792023 42.0433 -40.2092 20.2055 # jumping subtree containing T0136:G 29 (28) jump= -0.528306 0.0655136 -0.476617 0.699597 -60.0243 87.1639 45.5693 # jumping subtree containing T0136:K 77 (76) jump= 0.998084 -0.0511944 0.00945477 -0.0334475 13.6822 -3.81285 -8.96444 # jumping subtree containing T0136:L 53 (52) jump= -0.817802 -0.260004 0.144046 0.492797 46.5914 87.0194 -1.92209 # jumping subtree containing T0136:T 45 (44) jump= -0.120396 0.562209 -0.473538 0.667224 -28.5412 146.167 145.437 # jumping subtree containing T0136:E 61 (60) jump= -0.878008 -0.449173 -0.145717 0.0781772 -37.7304 134.405 81.2276 # jumping subtree containing T0136:N 52 (51) jump= -0.991238 0.0879157 -0.0972533 -0.016132 -36.155 -3.33868 11.3415 # jumping subtree containing T0136:G 29 (28) jump= -0.894733 -0.320238 -0.310977 0.0139314 -79.1123 82.7597 41.8398 # jumping subtree containing T0136:A 46 (45) jump= 0.999608 0.0154006 0.0112406 0.0205066 19.6553 1.56241 -2.31101 # jumping subtree containing T0136:E 61 (60) jump= -0.204432 0.172033 -0.913507 -0.306784 -27.4154 -88.5265 220.936 # generation 97: best score out of 40: T0136.try1-al10 59.4207 cost/residue, 159 clashes 0.0439627 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 91 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 664 ## OptSubtree 1416 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.831516 -0.189718 0.0493902 0.519758 47.8822 -36.9059 12.8481 # jumping subtree containing T0136:V 35 (34) jump= 0.00230722 0.0958782 0.287443 -0.952984 80.9947 83.5023 58.3451 # jumping subtree containing T0136:E 61 (60) jump= 0.108889 -0.59472 -0.0717371 0.793287 131.171 -6.87597 92.3863 # jumping subtree containing T0136:E 61 (60) jump= 0.976243 -0.068592 0.1393 0.151133 -8.46673 -37.4184 8.95226 # generation 98: best score out of 40: T0136.try1-al10 59.4207 cost/residue, 159 clashes 0.0439632 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 94 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 672 ## OptSubtree 1429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.0620668 0.127601 -0.143434 0.979435 24.5991 69.2558 21.8827 # jumping subtree containing T0136:E 61 (60) jump= -0.287547 0.552043 -0.477881 0.619835 -99.9592 73.81 149.808 # jumping subtree containing T0136:N 52 (51) jump= -0.12143 -0.19661 0.964385 -0.128689 74.4809 66.1813 241.855 # jumping subtree containing T0136:E 61 (60) jump= -0.900808 -0.201664 -0.232883 0.306009 -50.1233 75.312 8.1778 # jumping subtree containing T0136:E 61 (60) jump= 0.181292 0.626758 -0.655678 0.379992 21.4159 105.101 208.897 # jumping subtree containing T0136:E 61 (60) jump= -0.967994 0.161895 -0.171984 0.0848529 -43.7174 -40.9735 14.3194 # jumping subtree containing T0136:V 35 (34) jump= 0.892461 -0.386375 0.232631 0.0105568 -37.3846 -71.6572 82.3841 # jumping subtree containing T0136:A 46 (45) jump= 0.699977 -0.137415 0.273614 0.645201 -33.4286 -65.5758 45.9612 # jumping subtree containing T0136:K 77 (76) jump= 0.952059 -0.0616973 0.293261 0.0614362 -59.9487 -19.993 37.8359 # jumping subtree containing T0136:N 52 (51) jump= 0.563547 -0.389137 -0.226319 0.692652 141.629 4.5809 51.6791 # generation 99: best score out of 40: T0136.try1-al10 59.4207 cost/residue, 159 clashes 0.0439632 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 96 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 677 ## OptSubtree 1446 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.892131 -0.00840403 0.224096 -0.392189 -32.9389 50.2493 20.4141 # jumping subtree containing T0136:K 77 (76) jump= 0.726375 -0.124734 -0.0771502 -0.671468 -22.7446 1.60433 25.4629 # jumping subtree containing T0136:E 61 (60) jump= -0.694003 -0.339905 -0.370641 0.515218 -9.98957 131.149 81.4085 # generation 100: best score out of 40: T0136.try1-al10 59.4207 cost/residue, 159 clashes 0.0439643 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 87 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 98 ## CrossAndInsert 38 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 680 ## OptSubtree 1465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1176568085.pdb -s /projects/compbio/tmp/to_scwrl_1176568085.seq -o /projects/compbio/tmp/from_scwrl_1176568085.pdb -a /projects/compbio/tmp/from_scwrl_1176568085_a.pdb -b /projects/compbio/tmp/from_scwrl_1176568085_b.pdb > /projects/compbio/tmp/scwrl_1176568085.log # T0136.try1-al10-scwrl 59.3356 cost/residue 159 clashes 0.0439643 breaks # iteration 2 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA at pool[16] 70.3599 cost/residue, 149 clashes # 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+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 70.3254 cost/residue, 150 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 16 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 5 ## 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+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 69.8128 cost/residue, 137 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 32 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 2 ## 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+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 69.5439 cost/residue, 113 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 52 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 7 ## 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-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 69.0667 cost/residue, 123 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 30 ## InsertFragment 71 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 68.6911 cost/residue, 104 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 36 ## InsertFragment 85 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 67.908 cost/residue, 169 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 44 ## InsertFragment 98 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 67.7535 cost/residue, 83 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 117 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 67.1306 cost/residue, 83 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 129 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 66.6789 cost/residue, 115 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 141 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 66.1162 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 160 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 66.1162 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 177 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 11 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 65.3751 cost/residue, 87 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 191 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 12 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 13 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 65.3751 cost/residue, 87 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 204 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 12 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 19 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.543288 -0.343735 0.643701 -0.415131 28.3959 0.686937 8.51304 # generation 14: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 64.8205 cost/residue, 98 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 71 ## InsertFragment 216 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 12 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 25 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 15 # generation 15: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 64.4674 cost/residue, 99 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 231 ## TwoFragment 4 ## CrossOver 6 ## CrossAndInsert 12 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 28 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= 0.213447 0.409215 -0.729239 -0.505167 -1.94172 23.1571 4.13025 # generation 16: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 64.3307 cost/residue, 85 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 74 ## InsertFragment 242 ## TwoFragment 4 ## CrossOver 8 ## CrossAndInsert 13 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 35 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 64.3307 cost/residue, 85 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 74 ## InsertFragment 250 ## TwoFragment 5 ## CrossOver 9 ## CrossAndInsert 14 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 47 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 29 # Removing break before 42 # generation 18: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.9341 cost/residue, 86 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 74 ## InsertFragment 262 ## TwoFragment 6 ## CrossOver 10 ## CrossAndInsert 15 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 49 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.9341 cost/residue, 86 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 269 ## TwoFragment 6 ## CrossOver 15 ## CrossAndInsert 15 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 57 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 29 # generation 20: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.8679 cost/residue, 92 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 278 ## TwoFragment 6 ## CrossOver 19 ## CrossAndInsert 16 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 64 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 29 # jumping subtree containing T0136:E 48 (47) jump= -0.968969 0.0556753 0.236185 0.0470651 9.64632 -2.80083 -1.51472 # Removing break before 29 # generation 21: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.8679 cost/residue, 92 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 283 ## TwoFragment 6 ## CrossOver 25 ## CrossAndInsert 19 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 71 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 70 # Removing break before 70 # generation 22: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.5351 cost/residue, 128 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 287 ## TwoFragment 6 ## CrossOver 26 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 82 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 29 # jumping subtree containing T0136:L 72 (71) jump= 0.0669413 0.759007 -0.534471 0.365743 -14.9853 -30.1903 55.2736 # generation 23: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.3727 cost/residue, 100 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 290 ## TwoFragment 6 ## CrossOver 29 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 94 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 29 # generation 24: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.3727 cost/residue, 100 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 76 ## InsertFragment 294 ## TwoFragment 7 ## CrossOver 34 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 103 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 9 # Removing break before 29 # Removing break before 70 # generation 25: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.3727 cost/residue, 100 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 77 ## InsertFragment 295 ## TwoFragment 7 ## CrossOver 34 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 119 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 71 (70) jump= 0.970018 0.119392 -0.209791 -0.0282441 -1.96374 1.30513 20.8597 # Removing break before 70 # jumping subtree containing T0136:A 1 (0) jump= -0.682336 -0.716979 0.111861 -0.0885779 -19.2513 -34.1975 11.5226 # Removing break before 70 # generation 26: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.3663 cost/residue, 114 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 297 ## TwoFragment 7 ## CrossOver 35 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 132 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 70 # Removing break before 70 # generation 27: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.1226 cost/residue, 103 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 300 ## TwoFragment 7 ## CrossOver 37 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 146 ## OptSubtree 42 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:T 71 (70) jump= -0.93926 -0.25653 0.21319 -0.0808268 18.9739 14.7444 21.9096 # Removing break before 66 # Removing break before 70 # jumping subtree containing T0136:T 71 (70) jump= -0.00626579 0.664482 0.10103 0.740417 -40.2163 -32.4055 14.3759 # Removing break before 70 # generation 28: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.1226 cost/residue, 103 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 78 ## InsertFragment 302 ## TwoFragment 7 ## CrossOver 39 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 159 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:T 45 (44) jump= 0.246752 -0.179008 0.95202 0.0269687 -46.3994 6.59047 -39.7826 # Removing break before 70 # Removing break before 70 # Removing break before 70 # Removing break before 70 # generation 29: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 63.1226 cost/residue, 103 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 79 ## InsertFragment 304 ## TwoFragment 7 ## CrossOver 40 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 180 ## OptSubtree 49 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:V 80 (79) jump= 0.948201 0.193113 0.108316 0.227794 -31.9494 18.1368 0.672514 # Removing break before 29 # generation 30: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.8821 cost/residue, 112 clashes 0.0260657 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 79 ## InsertFragment 305 ## TwoFragment 7 ## CrossOver 42 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 193 ## OptSubtree 56 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:G 30 (29) jump= 0.203037 -0.722384 -0.489579 0.444129 -8.47399 -13.8268 -61.0879 # Removing break before 76 # Removing break before 70 # generation 31: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.8798 cost/residue, 103 clashes 0.0123695 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 307 ## TwoFragment 7 ## CrossOver 49 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 201 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # Removing break before 70 # Removing break before 70 # generation 32: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.6749 cost/residue, 103 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 50 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 216 ## OptSubtree 63 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # generation 33: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.6749 cost/residue, 103 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 312 ## TwoFragment 7 ## CrossOver 52 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 232 ## OptSubtree 69 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # Removing break before 36 # Removing break before 29 # generation 34: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.534 cost/residue, 90 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 313 ## TwoFragment 7 ## CrossOver 53 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 27 ## JiggleSubtree 252 ## OptSubtree 77 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 29 # jumping subtree containing T0136:G 30 (29) jump= 0.941207 0.0254614 0.226053 0.249763 -24.0553 4.19664 -31.3315 # Removing break before 29 # Removing break before 44 # generation 35: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.534 cost/residue, 90 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 315 ## TwoFragment 7 ## CrossOver 54 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 262 ## OptSubtree 85 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 29 # Removing break before 60 # generation 36: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.3893 cost/residue, 90 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 316 ## TwoFragment 7 ## CrossOver 59 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 278 ## OptSubtree 92 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 71 # Removing break before 29 # Removing break before 29 # jumping subtree containing T0136:A 1 (0) jump= 0.921363 0.012088 -0.228862 -0.313954 -17.0476 -32.0645 17.4644 # Removing break before 29 # Removing break before 71 # generation 37: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.3893 cost/residue, 90 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 318 ## TwoFragment 7 ## CrossOver 59 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 294 ## OptSubtree 101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 53 # Removing break before 29 # Removing break before 29 # Removing break before 53 # Removing break before 29 # jumping subtree containing T0136:G 30 (29) jump= 0.493562 0.393425 0.652654 0.419113 -70.1644 19.1143 32.5655 # jumping subtree containing T0136:Q 41 (40) jump= 0.170814 -0.056173 -0.974778 -0.132197 -20.5638 -24.2152 54.5792 # Removing break before 29 # generation 38: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.3552 cost/residue, 101 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 80 ## InsertFragment 319 ## TwoFragment 7 ## CrossOver 63 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 41 ## JiggleSubtree 307 ## OptSubtree 109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # Removing break before 29 # Removing break before 48 # Removing break before 55 # Removing break before 60 # Removing break before 38 # jumping subtree containing T0136:G 30 (29) jump= -0.643204 0.546981 0.152528 -0.513649 -38.8578 12.5215 -13.5317 # generation 39: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.062 cost/residue, 96 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 81 ## InsertFragment 327 ## TwoFragment 7 ## CrossOver 66 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 320 ## OptSubtree 113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 37 # jumping subtree containing T0136:G 63 (62) jump= -0.996365 0.0445755 -0.0721005 0.00848722 -18.1941 -24.0495 5.20619 # Removing break before 64 # Removing break before 40 # jumping subtree containing T0136:A 20 (19) jump= -0.517931 0.733193 -0.162865 0.409452 -7.32178 -35.7747 -20.2944 # Removing break before 15 # generation 40: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 62.0588 cost/residue, 95 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 327 ## TwoFragment 7 ## CrossOver 71 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 48 ## JiggleSubtree 331 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # Removing break before 49 # Removing break before 37 # Removing break before 37 # jumping subtree containing T0136:V 80 (79) jump= -0.787436 -0.528287 -0.0951447 0.302992 17.4672 -3.28141 13.1959 # jumping subtree containing T0136:Q 41 (40) jump= 0.996027 0.0369042 0.0547419 0.0597609 -16.1851 3.14632 -23.2388 # generation 41: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 61.7855 cost/residue, 96 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 330 ## TwoFragment 7 ## CrossOver 72 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 49 ## JiggleSubtree 348 ## OptSubtree 132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # Removing break before 6 # Removing break before 55 # Removing break before 55 # Removing break before 21 # Removing break before 59 # Removing break before 55 # Removing break before 13 # jumping subtree containing T0136:A 1 (0) jump= -0.893896 -0.0229167 -0.3404 0.290779 -1.53435 -14.6886 -20.0012 # Removing break before 51 # Removing break before 45 # Removing break before 59 # generation 42: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 61.7855 cost/residue, 96 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 330 ## TwoFragment 7 ## CrossOver 76 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 54 ## JiggleSubtree 366 ## OptSubtree 133 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 50 # jumping subtree containing T0136:P 56 (55) jump= 0.497192 -0.000294977 0.79464 0.348349 -33.7244 13.8069 21.3216 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:P 56 (55) jump= 0.560798 0.279941 -0.377429 -0.681679 -3.87458 -3.12204 3.93464 # Removing break before 13 # jumping subtree containing T0136:K 67 (66) jump= 0.183469 -0.0754963 -0.894411 -0.400836 -16.0015 -21.2314 40.7884 # Removing break before 55 # Removing break before 55 # generation 43: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 61.6051 cost/residue, 93 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 332 ## TwoFragment 7 ## CrossOver 77 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 56 ## JiggleSubtree 382 ## OptSubtree 143 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # generation 44: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 61.605 cost/residue, 93 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 333 ## TwoFragment 7 ## CrossOver 79 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 60 ## JiggleSubtree 401 ## OptSubtree 145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 69 # Removing break before 69 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 69 # Removing break before 61 # Removing break before 66 # Removing break before 71 # generation 45: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 61.4579 cost/residue, 84 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 334 ## TwoFragment 7 ## CrossOver 82 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 61 ## JiggleSubtree 420 ## OptSubtree 150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 61 # Removing break before 55 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:E 27 (26) jump= -0.406025 0.862735 -0.285225 -0.0973614 -30.5596 -40.0044 -5.00985 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:A 1 (0) jump= -0.538421 0.365157 -0.652563 -0.38849 4.89296 -7.46169 21.757 # Removing break before 61 # Removing break before 55 # Removing break before 55 # generation 46: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 61.4579 cost/residue, 84 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 334 ## TwoFragment 7 ## CrossOver 83 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 65 ## JiggleSubtree 433 ## OptSubtree 160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:R 47 (46) jump= -0.870039 -0.169861 -0.20415 -0.415334 -17.2972 -11.0429 -13.5843 # jumping subtree containing T0136:A 1 (0) jump= -0.911033 -0.328298 0.223231 0.111389 -1.86129 -3.54269 26.0275 # generation 47: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.8113 cost/residue, 95 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 335 ## TwoFragment 7 ## CrossOver 83 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 68 ## JiggleSubtree 452 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # Removing break before 72 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:R 33 (32) jump= 0.999973 0.00717717 0.00168834 1.43844e-05 -21.5208 17.7237 10.5803 # Removing break before 72 # Removing break before 23 # generation 48: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.8113 cost/residue, 95 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 337 ## TwoFragment 7 ## CrossOver 85 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 71 ## JiggleSubtree 468 ## OptSubtree 168 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 62 # Removing break before 40 # Removing break before 40 # Removing break before 40 # Removing break before 72 # Removing break before 55 # Removing break before 62 # generation 49: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.8113 cost/residue, 95 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 337 ## TwoFragment 7 ## CrossOver 86 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 77 ## JiggleSubtree 487 ## OptSubtree 177 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # Removing break before 62 # jumping subtree containing T0136:A 1 (0) jump= -0.958486 -0.236132 0.159781 0.00401499 15.9238 -3.44765 3.74217 # Removing break before 40 # Removing break before 73 # generation 50: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.7922 cost/residue, 94 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 338 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 79 ## JiggleSubtree 498 ## OptSubtree 186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # Removing break before 40 # jumping subtree containing T0136:V 62 (61) jump= 0.996837 -0.0315703 -0.0722344 -0.0100471 20.5824 -3.76604 -10.4562 # Removing break before 65 # Removing break before 62 # Removing break before 65 # jumping subtree containing T0136:V 62 (61) jump= 0.861033 -0.423951 0.130052 0.248948 7.73258 7.93554 -10.0373 # Removing break before 73 # Removing break before 73 # generation 51: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.4861 cost/residue, 96 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 339 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 21 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 84 ## JiggleSubtree 507 ## OptSubtree 194 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.682207 -0.463546 0.430043 -0.367126 20.6646 -15.1949 -25.5806 # jumping subtree containing T0136:G 74 (73) jump= -0.864671 -0.268868 0.311525 0.288109 -14.5797 5.27662 -24.4281 # Removing break before 73 # jumping subtree containing T0136:T 71 (70) jump= -0.442705 0.494333 0.714262 0.222435 31.0156 -24.4167 -19.6884 # Removing break before 69 # jumping subtree containing T0136:E 32 (31) jump= -0.704911 -0.384185 0.303487 -0.513223 1.8893 24.34 36.5357 # generation 52: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.4861 cost/residue, 96 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 340 ## TwoFragment 7 ## CrossOver 88 ## CrossAndInsert 21 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 84 ## JiggleSubtree 530 ## OptSubtree 198 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:S 40 (39) jump= -0.895697 0.15655 0.252232 -0.331055 -27.8347 0.594711 -1.15423 # Removing break before 47 # Removing break before 71 # Removing break before 47 # Removing break before 5 # jumping subtree containing T0136:A 1 (0) jump= -0.941501 0.166588 0.174068 -0.235636 21.3738 20.4851 12.8408 # jumping subtree containing T0136:V 62 (61) jump= -0.476337 -0.711525 0.451419 0.251111 -26.707 2.30182 -16.1105 # Removing break before 60 # generation 53: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.4277 cost/residue, 99 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 341 ## TwoFragment 7 ## CrossOver 93 ## CrossAndInsert 21 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 87 ## JiggleSubtree 541 ## OptSubtree 210 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 29 # Removing break before 57 # Removing break before 39 # Removing break before 47 # jumping subtree containing T0136:A 9 (8) jump= 0.130957 0.47851 0.626915 0.600713 -3.42038 12.3681 14.4698 # jumping subtree containing T0136:S 58 (57) jump= -0.508083 0.462181 -0.460041 -0.562675 -83.0068 -14.1549 -18.1607 # generation 54: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.4277 cost/residue, 99 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 341 ## TwoFragment 7 ## CrossOver 96 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 90 ## JiggleSubtree 552 ## OptSubtree 215 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 10 (9) jump= 0.374205 0.272377 0.678441 -0.570525 38.0172 3.79234 -6.65144 # Removing break before 47 # Removing break before 9 # jumping subtree containing T0136:S 40 (39) jump= 0.652299 -0.662006 -0.365121 0.0542255 0.973489 0.554591 -9.73605 # jumping subtree containing T0136:G 74 (73) jump= -0.607414 -0.0754994 0.508066 -0.605985 36.6053 -45.6331 -11.2027 # Removing break before 24 # Removing break before 57 # Removing break before 30 # Removing break before 24 # generation 55: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.2948 cost/residue, 99 clashes 0.0140425 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 342 ## TwoFragment 7 ## CrossOver 96 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 91 ## JiggleSubtree 574 ## OptSubtree 221 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 50 # jumping subtree containing T0136:I 26 (25) jump= 0.582509 -0.668673 -0.335164 0.318158 23.7258 -27.5553 -27.8508 # Removing break before 51 # jumping subtree containing T0136:R 49 (48) jump= -0.793459 -0.19816 0.489311 0.302872 12.3662 -14.9185 -12.6292 # jumping subtree containing T0136:A 1 (0) jump= 0.302877 -0.0146752 -0.904769 -0.299071 49.0606 5.34532 -9.53231 # jumping subtree containing T0136:Q 24 (23) jump= -0.411558 0.00887566 0.0766341 0.908113 32.78 -20.0319 -3.56649 # jumping subtree containing T0136:T 71 (70) jump= 0.317847 0.391682 0.0286169 -0.862983 13.3474 -24.5592 8.91827 # Removing break before 24 # Removing break before 51 # Removing break before 38 # Removing break before 9 # jumping subtree containing T0136:E 32 (31) jump= -0.984543 -0.160551 -0.0575124 0.0398733 23.8482 11.4797 18.4301 # generation 56: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.2794 cost/residue, 125 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 343 ## TwoFragment 7 ## CrossOver 97 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 92 ## JiggleSubtree 593 ## OptSubtree 223 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # Removing break before 24 # Removing break before 48 # Removing break before 39 # generation 57: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.2794 cost/residue, 125 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 343 ## TwoFragment 7 ## CrossOver 99 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 92 ## JiggleSubtree 616 ## OptSubtree 229 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 48 # Removing break before 52 # jumping subtree containing T0136:A 1 (0) jump= 0.164644 -0.239326 0.0966914 0.95198 12.2124 -28.0714 -16.2269 # jumping subtree containing T0136:A 1 (0) jump= 0.169457 -0.37927 -0.883157 0.217883 24.1487 -28.98 -24.3558 # Removing break before 48 # Removing break before 48 # Removing break before 48 # Removing break before 48 # Removing break before 38 # jumping subtree containing T0136:R 49 (48) jump= 0.887739 0.240624 0.371304 -0.127092 -5.67336 5.43457 18.9643 # generation 58: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.2584 cost/residue, 99 clashes 0.0140425 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 344 ## TwoFragment 7 ## CrossOver 100 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 98 ## JiggleSubtree 632 ## OptSubtree 235 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 71 # jumping subtree containing T0136:R 23 (22) jump= 0.992483 0.0789343 0.0810269 -0.0466993 14.4689 -17.1877 -2.24716 # Removing break before 52 # Removing break before 17 # Removing break before 59 # generation 59: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.2584 cost/residue, 99 clashes 0.0140424 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 345 ## TwoFragment 7 ## CrossOver 103 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 100 ## JiggleSubtree 639 ## OptSubtree 246 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # Removing break before 71 # Removing break before 59 # Removing break before 48 # Removing break before 48 # Removing break before 48 # Removing break before 48 # Removing break before 48 # Removing break before 22 # jumping subtree containing T0136:G 31 (30) jump= -0.0589229 -0.408885 0.875058 0.25222 -29.5174 14.2744 -62.3967 # Removing break before 59 # Removing break before 48 # generation 60: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.1968 cost/residue, 122 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 104 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 100 ## JiggleSubtree 663 ## OptSubtree 253 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 48 # Removing break before 42 # Removing break before 48 # Removing break before 59 # Removing break before 42 # Removing break before 48 # Removing break before 48 # generation 61: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.1967 cost/residue, 122 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 106 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 103 ## JiggleSubtree 680 ## OptSubtree 260 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 59 # Removing break before 48 # Removing break before 42 # Removing break before 59 # Removing break before 37 # jumping subtree containing T0136:D 60 (59) jump= 0.955027 -0.0541469 -0.290355 0.0261901 18.697 -1.12556 -35.5373 # jumping subtree containing T0136:D 60 (59) jump= -0.951402 -0.069755 -0.0869517 -0.287068 -25.5135 -13.9416 34.5551 # Removing break before 37 # Removing break before 48 # Removing break before 48 # Removing break before 59 # Removing break before 48 # generation 62: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 60.1967 cost/residue, 122 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 109 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 108 ## JiggleSubtree 694 ## OptSubtree 271 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 59 # Removing break before 37 # Removing break before 37 # Removing break before 59 # Removing break before 37 # Removing break before 59 # Removing break before 59 # Removing break before 59 # jumping subtree containing T0136:L 53 (52) jump= 0.953836 -0.185234 0.0984017 0.214946 -35.0913 -27.7748 1.14802 # Removing break before 59 # Removing break before 59 # Removing break before 37 # jumping subtree containing T0136:D 60 (59) jump= 0.825847 0.202162 -0.37126 -0.373194 31.1586 -2.46101 27.4604 # Removing break before 37 # generation 63: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.957 cost/residue, 124 clashes 0.00451611 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 112 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 116 ## JiggleSubtree 697 ## OptSubtree 287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 59 # Removing break before 64 # jumping subtree containing T0136:D 55 (54) jump= -0.136164 -0.779819 0.105265 -0.601881 -11.4957 -99.2716 -25.1467 # jumping subtree containing T0136:P 56 (55) jump= -0.717462 -0.158822 0.676813 0.0441406 24.5714 0.102038 -18.8932 # Removing break before 55 # Removing break before 37 # jumping subtree containing T0136:Q 38 (37) jump= -0.841623 0.13357 0.268388 -0.449218 0.442413 -28.4196 -10.9828 # jumping subtree containing T0136:D 60 (59) jump= 0.177558 -0.797771 -0.194166 0.542526 11.39 -102.548 25.3905 # Removing break before 59 # Removing break before 59 # Removing break before 37 # generation 64: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.957 cost/residue, 124 clashes 0.00451602 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 112 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 715 ## OptSubtree 291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # jumping subtree containing T0136:A 1 (0) jump= 0.982608 0.00873365 -0.184576 -0.0183807 -21.8556 -15.3546 -0.91156 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 59 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # generation 65: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.731 cost/residue, 115 clashes 0.00451617 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 114 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 734 ## OptSubtree 302 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.605457 -0.548342 -0.171356 0.5508 70.7242 -31.9565 48.8899 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:D 60 (59) jump= 0.116284 -0.424335 0.897939 -0.0111345 -8.84887 5.87852 -33.1127 # Removing break before 55 # Removing break before 55 # generation 66: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.731 cost/residue, 115 clashes 0.00451616 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 116 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 756 ## OptSubtree 306 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.457004 -0.520922 -0.369086 -0.619325 58.3631 -55.7372 -23.3801 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:D 60 (59) jump= -0.747123 -0.517565 0.2667 -0.320632 -48.6615 -53.1111 5.80603 # Removing break before 55 # jumping subtree containing T0136:D 60 (59) jump= -0.760041 0.1451 0.447801 0.44806 55.7334 20.9067 -11.7086 # Removing break before 55 # Removing break before 55 # Removing break before 55 # generation 67: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.7309 cost/residue, 115 clashes 0.00451629 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 82 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 117 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 781 ## OptSubtree 314 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.918339 0.294927 -0.152666 0.215325 -8.26423 -1.83158 21.6683 # jumping subtree containing T0136:F 73 (72) jump= -0.365835 0.534534 -0.214831 0.730949 58.0431 -96.7233 -73.6866 # Removing break before 55 # jumping subtree containing T0136:D 60 (59) jump= -0.179952 0.59705 0.73548 0.264987 88.1233 -56.8947 3.82065 # Removing break before 55 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:G 30 (29) jump= -0.944291 -0.236931 0.218263 0.0673772 7.49563 11.1783 14.7483 # Removing break before 55 # generation 68: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.7307 cost/residue, 115 clashes 0.00451615 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 119 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 791 ## OptSubtree 325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:T 71 (70) jump= -0.177598 0.822501 0.431611 -0.32506 46.1479 -107.462 7.65742 # Removing break before 55 # generation 69: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.7112 cost/residue, 115 clashes 0.00451615 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 122 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 802 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.560891 -0.393569 -0.716282 0.132079 5.31121 -28.8487 -43.9311 # generation 70: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.705 cost/residue, 115 clashes 0.00451607 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 125 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 826 ## OptSubtree 343 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.822329 -0.0533238 -0.445356 0.350129 50.1794 -5.99611 -2.44442 # jumping subtree containing T0136:R 49 (48) jump= 0.877764 -0.237701 -0.159525 0.384162 -27.321 -29.1084 -8.42295 # generation 71: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.6373 cost/residue, 112 clashes 0.00451599 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 347 ## TwoFragment 7 ## CrossOver 129 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 851 ## OptSubtree 349 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.995195 -0.0706775 0.0677435 0.00146475 -19.9656 2.21757 12.971 # generation 72: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.6085 cost/residue, 115 clashes 0.00451617 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 349 ## TwoFragment 7 ## CrossOver 133 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 867 ## OptSubtree 359 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 59 (58) jump= -0.739698 0.0539199 -0.423023 0.520568 47.9912 15.3796 7.55607 # generation 73: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.6085 cost/residue, 115 clashes 0.00451617 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 349 ## TwoFragment 7 ## CrossOver 137 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 890 ## OptSubtree 366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.910357 -0.398828 0.0713409 0.0842435 -28.0157 -7.2709 -25.8916 # jumping subtree containing T0136:D 60 (59) jump= 0.994866 0.0810821 0.0499626 -0.0342127 -0.195269 9.45464 21.5052 # generation 74: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.6085 cost/residue, 115 clashes 0.00451607 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 349 ## TwoFragment 7 ## CrossOver 138 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 911 ## OptSubtree 376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 75: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5821 cost/residue, 116 clashes 0.00451613 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 351 ## TwoFragment 7 ## CrossOver 142 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 925 ## OptSubtree 380 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 28 (27) jump= -0.869256 -0.0454423 -0.0917128 0.483651 39.6071 12.6755 10.0635 # jumping subtree containing T0136:D 60 (59) jump= 0.358758 0.171297 0.87371 0.280323 54.2276 -37.6324 36.1027 # jumping subtree containing T0136:A 1 (0) jump= -0.844929 -0.0258998 -0.422361 0.327162 27.7714 6.58486 -18.4121 # jumping subtree containing T0136:R 49 (48) jump= 0.984594 -0.0852902 0.122235 0.0914278 -9.23559 5.90718 4.43635 # jumping subtree containing T0136:F 59 (58) jump= -0.959432 0.0498602 -0.266922 -0.0758697 32.0615 7.02666 -3.88334 # generation 76: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5821 cost/residue, 116 clashes 0.00451613 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 351 ## TwoFragment 7 ## CrossOver 145 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 939 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # Removing break before 55 # jumping subtree containing T0136:R 49 (48) jump= 0.508473 0.090088 0.746363 0.419859 17.4295 -36.2801 68.7159 # Removing break before 55 # Removing break before 55 # generation 77: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5821 cost/residue, 116 clashes 0.00451617 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 351 ## TwoFragment 7 ## CrossOver 145 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 966 ## OptSubtree 398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 49 (48) jump= -0.813004 -0.319459 0.0690269 -0.481877 -22.7707 -60.3328 31.0591 # jumping subtree containing T0136:R 49 (48) jump= -0.437461 -0.841349 -0.166369 -0.270336 1.10917 -70.2234 -19.4742 # jumping subtree containing T0136:F 65 (64) jump= 0.994219 0.00099243 0.0296279 0.103198 -27.3375 10.075 3.72739 # jumping subtree containing T0136:F 59 (58) jump= 0.347389 -0.530902 0.686605 -0.355017 -3.63621 -40.3756 -30.3547 # jumping subtree containing T0136:R 49 (48) jump= -0.870406 -0.356531 -0.179687 -0.288083 -8.24334 -60.7093 28.95 # jumping subtree containing T0136:D 60 (59) jump= 0.680197 0.42013 -0.600608 -0.00964459 -19.117 5.35159 33.8625 # generation 78: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5821 cost/residue, 116 clashes 0.00451596 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 351 ## TwoFragment 7 ## CrossOver 149 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 981 ## OptSubtree 405 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.615954 -0.351421 0.198737 -0.676467 -2.07593 -70.8428 -33.2277 # generation 79: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5525 cost/residue, 114 clashes 0.0045161 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 352 ## TwoFragment 7 ## CrossOver 155 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 997 ## OptSubtree 411 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.733653 0.144916 0.663643 -0.0181819 59.146 -17.6496 10.4758 # jumping subtree containing T0136:R 49 (48) jump= -0.685933 0.650538 0.0513697 0.321959 43.666 -41.3322 -59.7946 # generation 80: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5525 cost/residue, 114 clashes 0.00451607 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 353 ## TwoFragment 7 ## CrossOver 156 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1011 ## OptSubtree 419 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 49 (48) jump= -0.907351 -0.386677 -0.100299 0.130906 35.0851 -24.5039 58.6277 # jumping subtree containing T0136:F 59 (58) jump= 0.0704031 0.442164 0.183998 -0.875031 102.979 -128.494 17.8761 # jumping subtree containing T0136:A 64 (63) jump= -0.178648 0.142339 -0.656401 -0.719001 16.6933 -22.58 6.17004 # generation 81: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5525 cost/residue, 114 clashes 0.00451598 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 353 ## TwoFragment 7 ## CrossOver 157 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1036 ## OptSubtree 426 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.459775 -0.205466 -0.425618 -0.751824 67.778 -16.2831 -25.1567 # jumping subtree containing T0136:A 28 (27) jump= 0.600268 0.175071 0.736643 0.257654 50.9015 -42.0001 24.7319 # jumping subtree containing T0136:A 64 (63) jump= 0.885382 0.249433 0.261271 -0.292609 65.8575 -46.0926 30.114 # generation 82: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5525 cost/residue, 114 clashes 0.00451611 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 353 ## TwoFragment 7 ## CrossOver 161 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1048 ## OptSubtree 434 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 49 (48) jump= -0.332773 0.570042 0.325904 -0.676831 -48.4646 -75.5985 -76.6799 # jumping subtree containing T0136:A 1 (0) jump= -0.977961 0.106051 0.0978227 -0.150919 -3.3436 -7.07924 -19.2498 # jumping subtree containing T0136:A 64 (63) jump= 0.00823724 -0.636456 -0.358776 0.682742 -3.32023 -100.286 -56.7552 # generation 83: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.5525 cost/residue, 114 clashes 0.00451636 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 353 ## TwoFragment 7 ## CrossOver 169 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1055 ## OptSubtree 443 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= -0.969831 0.238918 -0.00921969 -0.0475478 7.53243 -10.5107 -21.0731 # jumping subtree containing T0136:P 56 (55) jump= -0.994003 0.0667974 -0.00512613 -0.0864294 14.4487 -8.89596 -17.2165 # jumping subtree containing T0136:F 59 (58) jump= -0.578821 -0.231902 -0.0317804 0.781138 127.514 -52.249 48.9257 # generation 84: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0892 cost/residue, 115 clashes 0.014258 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 172 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1068 ## OptSubtree 452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.893134 -0.336162 0.145753 -0.260889 15.9038 -8.04993 -17.6092 # jumping subtree containing T0136:A 64 (63) jump= -0.442292 -0.859304 0.0652835 -0.248418 14.0171 -158.093 -67.7328 # jumping subtree containing T0136:A 64 (63) jump= 0.128227 0.834455 0.49412 0.207575 72.0026 -139.909 49.3576 # jumping subtree containing T0136:A 28 (27) jump= -0.987132 0.0579437 -0.103888 -0.106867 6.59295 -6.01286 0.955896 # Removing break before 36 # jumping subtree containing T0136:K 67 (66) jump= -0.160507 -0.167251 0.0246851 0.972448 73.298 -120.506 16.2748 # generation 85: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0892 cost/residue, 115 clashes 0.014258 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 173 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1078 ## OptSubtree 465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:D 60 (59) jump= 0.334497 -0.130416 -0.80862 0.466088 61.5385 -33.2744 -76.0426 # jumping subtree containing T0136:K 67 (66) jump= 0.987102 -0.0822705 -0.104905 -0.0886346 3.69204 -21.7674 -29.7499 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 86: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0892 cost/residue, 115 clashes 0.0142579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 175 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1101 ## OptSubtree 475 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:A 64 (63) jump= 0.91988 0.063406 0.382609 -0.0583998 19.329 25.4952 46.0377 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 87: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0892 cost/residue, 115 clashes 0.0142579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 177 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1114 ## OptSubtree 484 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.91591 0.345554 -0.185403 -0.0856017 5.22298 8.24032 42.3901 # jumping subtree containing T0136:A 1 (0) jump= -0.269485 -0.766568 0.351633 0.464871 11.523 -106.37 115.008 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:K 67 (66) jump= 0.15592 0.971736 0.115987 -0.134034 15.1782 -155.519 76.9552 # Removing break before 36 # generation 88: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0892 cost/residue, 115 clashes 0.0142579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 185 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1125 ## OptSubtree 489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 59 (58) jump= -0.645916 0.706205 0.283848 0.0591418 39.9958 -138.634 -91.5266 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:L 72 (71) jump= 0.578258 -0.476587 -0.618849 0.2356 79.7208 -43.6122 -36.6079 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:K 67 (66) jump= 0.941447 0.202717 -0.127425 -0.237373 33.9885 15.2025 21.2576 # Removing break before 36 # Removing break before 36 # generation 89: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0891 cost/residue, 115 clashes 0.0142579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 191 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1137 ## OptSubtree 495 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 90: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0891 cost/residue, 115 clashes 0.0142579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 195 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1151 ## OptSubtree 501 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:K 67 (66) jump= 0.925566 0.36635 0.0523458 -0.0798422 38.5168 -2.74104 64.7684 # Removing break before 36 # jumping subtree containing T0136:D 60 (59) jump= 0.869274 0.347721 0.202651 0.287029 -53.4394 -68.1455 78.9802 # Removing break before 36 # jumping subtree containing T0136:L 72 (71) jump= 0.859201 0.30655 -0.145872 -0.382781 70.1514 18.4315 44.7745 # Removing break before 36 # generation 91: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0891 cost/residue, 115 clashes 0.0142579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 197 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1166 ## OptSubtree 508 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:K 67 (66) jump= 0.576855 0.480449 -0.613046 0.246134 -21.3773 -12.6473 29.927 # Removing break before 36 # jumping subtree containing T0136:A 64 (63) jump= 0.371249 -0.649831 -0.62357 0.225949 134.632 -140.035 -73.6653 # jumping subtree containing T0136:K 67 (66) jump= -0.992466 -0.063888 -0.103695 -0.013312 10.343 -0.956585 15.0813 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:Q 41 (40) jump= -0.972593 0.0492529 0.137277 0.181087 67.4299 -12.4108 -14.8074 # jumping subtree containing T0136:D 60 (59) jump= -0.189214 -0.47052 0.303659 0.806598 63.6493 -159.966 131.137 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 92: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 59.0891 cost/residue, 115 clashes 0.0142579 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 354 ## TwoFragment 7 ## CrossOver 202 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1179 ## OptSubtree 514 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:P 56 (55) jump= 0.0301792 0.186035 0.814057 0.549356 130.852 -86.4015 87.3298 # jumping subtree containing T0136:D 60 (59) jump= 0.99582 -0.0623637 0.0150886 -0.0649984 12.6524 26.0077 -24.7445 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 93: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.8841 cost/residue, 106 clashes 0.0142577 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 355 ## TwoFragment 7 ## CrossOver 207 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1193 ## OptSubtree 518 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:F 59 (58) jump= 0.621982 0.557129 -0.178518 0.520458 -46.197 -127.988 47.0728 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:K 67 (66) jump= -0.405873 -0.63592 0.475717 0.452291 37.6031 -55.3799 153.463 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 94: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.8841 cost/residue, 106 clashes 0.0142577 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 355 ## TwoFragment 7 ## CrossOver 208 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1210 ## OptSubtree 524 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing T0136:F 59 (58) jump= -0.65604 -0.185061 -0.106546 -0.723886 -59.2758 -150.906 47.9584 # jumping subtree containing T0136:A 64 (63) jump= -0.180805 0.873559 0.45088 0.0302066 106.027 -212.146 -8.86776 # Removing break before 36 # jumping subtree containing T0136:A 1 (0) jump= 0.612958 0.236231 0.729875 -0.189102 111.227 -29.0602 84.5606 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 95: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.8841 cost/residue, 106 clashes 0.014258 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 355 ## TwoFragment 7 ## CrossOver 212 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1225 ## OptSubtree 537 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 96: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.884 cost/residue, 106 clashes 0.0142581 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 355 ## TwoFragment 7 ## CrossOver 215 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1240 ## OptSubtree 546 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:D 60 (59) jump= -0.995897 -0.0285571 -0.0490734 -0.0704682 -20.6869 3.77915 13.8335 # Removing break before 36 # jumping subtree containing T0136:K 37 (36) jump= -0.905192 -0.392092 -0.145727 0.0752016 50.3366 -45.389 97.4326 # jumping subtree containing T0136:D 55 (54) jump= 0.98978 -0.0965522 0.0222651 0.102553 -36.7021 -23.5597 -39.0797 # Removing break before 36 # Removing break before 36 # generation 97: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.884 cost/residue, 106 clashes 0.0142575 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 355 ## TwoFragment 7 ## CrossOver 218 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1248 ## OptSubtree 559 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 98: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.8182 cost/residue, 105 clashes 0.0430957 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 356 ## TwoFragment 7 ## CrossOver 222 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1258 ## OptSubtree 568 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.947779 0.188366 0.118658 -0.228369 85.6821 13.7807 50.4387 # Removing break before 36 # jumping subtree containing T0136:K 67 (66) jump= -0.459454 -0.87247 0.058787 0.155701 16.5722 -114.198 101.662 # Removing break before 70 # jumping subtree containing T0136:P 56 (55) jump= -0.890366 0.44702 -0.0121324 -0.0852949 -37.4048 -70.3854 -114.958 # Removing break before 36 # Removing break before 36 # Removing break before 36 # jumping subtree containing T0136:Q 41 (40) jump= -0.177404 -0.76743 -0.142876 -0.599303 -5.3626 -286.785 43.6424 # Removing break before 36 # generation 99: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.8182 cost/residue, 105 clashes 0.0430957 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 356 ## TwoFragment 7 ## CrossOver 224 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1269 ## OptSubtree 581 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 70 # jumping subtree containing T0136:K 67 (66) jump= 0.678292 -0.359053 -0.27621 -0.57854 175.004 -132.109 -59.7739 # Removing break before 70 # Removing break before 70 # Removing break before 70 # jumping subtree containing T0136:K 67 (66) jump= -0.98862 0.0879771 -0.0176137 -0.120746 -27.9692 -11.1784 3.68074 # Removing break before 70 # Removing break before 70 # jumping subtree containing T0136:Q 41 (40) jump= 0.817946 -0.407875 -0.242245 0.325451 -45.1174 -105.553 -135.285 # Removing break before 36 # Removing break before 70 # jumping subtree containing T0136:T 71 (70) jump= 0.999475 -0.0213201 0.0142366 -0.0197938 1.91469 7.56351 -22.1349 # Removing break before 70 # Removing break before 70 # Removing break before 70 # generation 100: best score out of 40: T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA 58.8181 cost/residue, 105 clashes 0.0430959 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 83 ## InsertFragment 356 ## TwoFragment 7 ## CrossOver 225 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 118 ## JiggleSubtree 1293 ## OptSubtree 590 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_802756291.pdb -s /projects/compbio/tmp/to_scwrl_802756291.seq -o /projects/compbio/tmp/from_scwrl_802756291.pdb -a /projects/compbio/tmp/from_scwrl_802756291_a.pdb -b /projects/compbio/tmp/from_scwrl_802756291_b.pdb > /projects/compbio/tmp/scwrl_802756291.log # T0136.try1-al10+T0136-1bpoA-local-adpstyle5.pw.a2m.gz:1bpoA-scwrl 59.2261 cost/residue 105 clashes 0.0430959 breaks # iteration 3 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 70.635 cost/residue, 122 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 18 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 0 ## 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 69.7789 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 37 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 1 ## ReduceClash 1 ## 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 69.769 cost/residue, 114 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 24 ## InsertFragment 54 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 3 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10 69.6494 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 28 ## InsertFragment 69 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al4 69.4268 cost/residue, 114 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 33 ## InsertFragment 84 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al10 68.6408 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 94 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al4 67.9423 cost/residue, 138 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 42 ## InsertFragment 106 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.145357 0.894172 0.00142695 0.423469 9.14325 36.6563 18.2354 # generation 8: best score out of 40: T0136.try1-al4 67.9423 cost/residue, 138 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 47 ## InsertFragment 124 ## TwoFragment 2 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al4 67.6777 cost/residue, 113 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 48 ## InsertFragment 143 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 13 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # jumping subtree containing T0136:T 45 (44) jump= 0.609273 0.134774 0.753824 -0.205846 19.8111 6.9431 -1.83963 # Removing break before 41 # generation 10: best score out of 40: T0136.try1-al4 67.084 cost/residue, 138 clashes 0.0100885 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 157 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 13 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= 0.965174 -0.149521 0.176732 0.121856 5.86216 14.7337 9.41871 # generation 11: best score out of 40: T0136.try1-al4 66.4443 cost/residue, 196 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 52 ## InsertFragment 172 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 14 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 44 # generation 12: best score out of 40: T0136.try1-al4 66.4088 cost/residue, 180 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 187 ## TwoFragment 2 ## CrossOver 6 ## CrossAndInsert 15 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 5 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 13: best score out of 40: T0136.try1-al4 66.4088 cost/residue, 180 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 201 ## TwoFragment 2 ## CrossOver 7 ## CrossAndInsert 17 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al4 66.4088 cost/residue, 180 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 218 ## TwoFragment 2 ## CrossOver 7 ## CrossAndInsert 18 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.728963 -0.174725 0.510345 -0.421464 14.9453 -22.6459 7.57754 # generation 15: best score out of 40: T0136.try1-al4 66.2972 cost/residue, 177 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 229 ## TwoFragment 2 ## CrossOver 7 ## CrossAndInsert 18 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 9 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 12 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # generation 16: best score out of 40: T0136.try1-al4 65.6961 cost/residue, 165 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 240 ## TwoFragment 2 ## CrossOver 8 ## CrossAndInsert 21 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 10 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 13 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al4 65.3139 cost/residue, 177 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 250 ## TwoFragment 2 ## CrossOver 8 ## CrossAndInsert 21 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 12 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 15 ## OptSubtree 42 ## 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:T 71 (70) jump= 0.786922 0.577069 0.178661 0.125796 1.6261 0.95201 5.93357 # generation 18: best score out of 40: T0136.try1-al4 65.3139 cost/residue, 177 clashes 0.0237179 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 260 ## TwoFragment 2 ## CrossOver 12 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 12 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 18 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al4 65.2932 cost/residue, 181 clashes 0.0440631 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 271 ## TwoFragment 2 ## CrossOver 12 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 25 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.0822472 0.938709 0.115322 0.314263 22.4501 -31.7434 -20.007 # Removing break before 41 # generation 20: best score out of 40: T0136.try1-al4 65.2932 cost/residue, 181 clashes 0.0440631 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 279 ## TwoFragment 2 ## CrossOver 14 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 29 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.253492 0.287583 -0.829811 -0.405526 -89.4519 6.64222 -35.5655 # generation 21: best score out of 40: T0136.try1-al4 65.2931 cost/residue, 181 clashes 0.0440631 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 282 ## TwoFragment 2 ## CrossOver 15 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 38 ## OptSubtree 70 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.54527 -0.820006 0.0886172 -0.149729 -18.7417 -30.8288 -40.5575 # jumping subtree containing T0136:Q 41 (40) jump= 0.860159 -0.218095 0.0200594 0.460606 -11.8603 32.9087 -9.74837 # generation 22: best score out of 40: T0136.try1-al4 64.725 cost/residue, 165 clashes 0.0399307 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 287 ## TwoFragment 2 ## CrossOver 16 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 44 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # generation 23: best score out of 40: T0136.try1-al4 64.725 cost/residue, 165 clashes 0.0399307 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 295 ## TwoFragment 2 ## CrossOver 19 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 48 ## OptSubtree 91 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.662796 -0.580954 0.0803425 0.465553 -23.4464 -17.0525 -45.3789 # Removing break before 41 # jumping subtree containing T0136:D 60 (59) jump= -0.999273 -0.0272049 -0.0239786 0.0117289 -14.7712 0.671717 -10.9019 # Removing break before 41 # generation 24: best score out of 40: T0136.try1-al4 64.7097 cost/residue, 199 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 302 ## TwoFragment 2 ## CrossOver 21 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 52 ## OptSubtree 103 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 71 (70) jump= -0.416037 0.516243 0.512695 -0.545481 -3.56103 5.32356 -29.6545 # jumping subtree containing T0136:G 74 (73) jump= -0.363909 -0.686579 -0.448554 0.441564 38.4926 -23.069 -4.76408 # jumping subtree containing T0136:S 10 (9) jump= 0.755549 0.161855 -0.502938 0.387302 -65.9719 14.8923 21.4742 # jumping subtree containing T0136:S 10 (9) jump= -0.912241 -0.03707 -0.407784 0.0124058 22.1698 -3.45248 -8.02056 # Removing break before 41 # Removing break before 41 # generation 25: best score out of 40: T0136.try1-al4 64.5356 cost/residue, 160 clashes 0.0449901 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 305 ## TwoFragment 2 ## CrossOver 23 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 59 ## OptSubtree 115 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:A 1 (0) jump= 0.993211 -0.0986083 0.02443 -0.0566744 -9.17385 -20.4217 8.75805 # jumping subtree containing T0136:A 1 (0) jump= 0.852326 -0.173407 -0.221714 0.44081 -13.6099 21.3875 17.8123 # jumping subtree containing T0136:G 42 (41) jump= -0.553684 -0.657128 -0.130704 0.494503 17.9066 -0.0993958 12.1345 # jumping subtree containing T0136:G 42 (41) jump= 0.484665 -0.406374 0.606652 -0.481594 8.08083 -30.2253 -23.1383 # generation 26: best score out of 40: T0136.try1-al4 64.282 cost/residue, 185 clashes 0.0556464 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 310 ## TwoFragment 2 ## CrossOver 24 ## CrossAndInsert 22 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 70 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.876789 0.334762 -0.334589 0.0850047 -15.8572 3.84789 -1.80317 # jumping subtree containing T0136:S 10 (9) jump= 0.666846 -0.677461 0.189313 -0.246017 19.3783 -43.5992 -52.7123 # jumping subtree containing T0136:E 36 (35) jump= 0.263603 -0.0597968 0.279178 -0.921411 -41.2068 -35.7943 -32.7171 # jumping subtree containing T0136:G 42 (41) jump= 0.684967 -0.658485 -0.228923 -0.211688 5.13335 32.7377 -7.87013 # generation 27: best score out of 40: T0136.try1-al4 64.2235 cost/residue, 164 clashes 0.0325112 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 315 ## TwoFragment 2 ## CrossOver 25 ## CrossAndInsert 22 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 76 ## OptSubtree 134 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.40327 -0.823576 0.0822606 0.390293 -19.5687 -66.894 -5.92716 # jumping subtree containing T0136:Q 44 (43) jump= 0.942293 0.0783188 0.313745 0.08669 7.65925 7.42823 10.485 # generation 28: best score out of 40: T0136.try1-al4 64.2235 cost/residue, 164 clashes 0.0325112 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 316 ## TwoFragment 2 ## CrossOver 26 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 85 ## OptSubtree 148 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.433659 0.271722 -0.24409 -0.823728 -30.3092 -71.2043 -7.07361 # jumping subtree containing T0136:G 42 (41) jump= -0.969865 0.194211 -0.0225847 -0.145373 -4.11383 16.6781 2.78966 # jumping subtree containing T0136:L 50 (49) jump= 0.9853 -0.105678 0.111111 0.0753022 6.80397 -4.82347 2.11562 # generation 29: best score out of 40: T0136.try1-al4 63.971 cost/residue, 160 clashes 0.0325112 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 319 ## TwoFragment 2 ## CrossOver 26 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 92 ## OptSubtree 166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= -0.603467 0.147622 0.698856 -0.35445 -70.5418 8.38725 -21.0074 # Removing break before 41 # jumping subtree containing T0136:A 1 (0) jump= 0.975289 0.164066 0.147836 -0.00615043 11.9683 -21.4079 -7.06246 # generation 30: best score out of 40: T0136.try1-al4 63.9645 cost/residue, 164 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 324 ## TwoFragment 2 ## CrossOver 26 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 99 ## OptSubtree 178 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= 0.453616 -0.88279 -0.023737 0.119799 3.85821 -7.97109 -29.9813 # jumping subtree containing T0136:L 50 (49) jump= -0.851361 -0.0463844 0.425879 0.302754 25.2889 -15.8481 8.88099 # Removing break before 41 # jumping subtree containing T0136:R 66 (65) jump= -0.939204 0.102037 -0.0354976 -0.325922 -24.2263 6.82675 7.87036 # jumping subtree containing T0136:G 30 (29) jump= 0.99966 -0.00581313 0.00450485 -0.0250022 7.40831 8.7111 -25.2502 # generation 31: best score out of 40: T0136.try1-al4 63.7337 cost/residue, 170 clashes 0.0325113 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 328 ## TwoFragment 2 ## CrossOver 26 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 110 ## OptSubtree 191 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.785578 0.576104 0.0554795 -0.218845 -0.547969 -31.7255 -7.05977 # jumping subtree containing T0136:S 10 (9) jump= -0.902844 -0.271487 0.322692 -0.0838902 -7.23757 13.5457 -5.24689 # jumping subtree containing T0136:S 10 (9) jump= 0.234942 -0.536547 0.312326 0.747912 6.06905 -52.4486 24.6329 # jumping subtree containing T0136:R 66 (65) jump= 0.677246 0.607656 -0.33006 0.2513 -9.97364 11.9065 20.5746 # jumping subtree containing T0136:G 42 (41) jump= -0.899882 -0.393806 -0.106431 -0.154278 -8.23072 0.796268 46.2541 # Removing break before 41 # jumping subtree containing T0136:R 66 (65) jump= -0.784531 -0.054472 -0.361698 0.500717 18.6124 6.48722 -7.37056 # jumping subtree containing T0136:R 66 (65) jump= 0.384236 -0.0434433 0.685849 0.616512 -36.0297 -4.25232 17.7611 # generation 32: best score out of 40: T0136.try1-al4 63.7337 cost/residue, 170 clashes 0.0325113 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 329 ## TwoFragment 2 ## CrossOver 26 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 120 ## OptSubtree 208 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.973892 0.131075 -0.176538 -0.0564661 15.1382 -8.41146 -17.4397 # jumping subtree containing T0136:L 50 (49) jump= -0.930702 -0.32448 0.167971 0.0170859 -5.82458 19.7465 9.02109 # Removing break before 41 # generation 33: best score out of 40: T0136.try1-al4 63.4838 cost/residue, 170 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 332 ## TwoFragment 2 ## CrossOver 27 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 126 ## OptSubtree 228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 10 (9) jump= 0.673682 0.70425 0.207118 -0.085364 -14.5822 21.722 55.6758 # jumping subtree containing T0136:E 36 (35) jump= -0.68683 0.588641 0.0755652 -0.419591 -13.9103 -33.1164 -23.9007 # jumping subtree containing T0136:S 10 (9) jump= 0.0160796 -0.759308 0.1748 0.626608 -8.74441 -99.2556 16.7593 # generation 34: best score out of 40: T0136.try1-al4 63.4614 cost/residue, 176 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 334 ## TwoFragment 2 ## CrossOver 27 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 131 ## OptSubtree 245 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.744095 -0.380447 -0.373861 -0.402256 37.7876 -48.9061 -17.5679 # jumping subtree containing T0136:V 79 (78) jump= -0.549928 0.3869 -0.270472 0.689008 -11.2986 -17.3555 -5.91393 # jumping subtree containing T0136:R 66 (65) jump= 0.895843 -0.24051 -0.372764 -0.0258355 25.7079 -5.20993 -25.8996 # Removing break before 9 # jumping subtree containing T0136:R 66 (65) jump= 0.402479 -0.73297 -0.438962 0.328752 7.11887 -31.6036 2.90782 # generation 35: best score out of 40: T0136.try1-al4 63.4614 cost/residue, 176 clashes 0.0250596 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 337 ## TwoFragment 2 ## CrossOver 28 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 141 ## OptSubtree 263 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 9 # jumping subtree containing T0136:V 35 (34) jump= 0.924661 -0.135009 0.204445 -0.291506 10.2387 18.0401 7.35161 # jumping subtree containing T0136:G 42 (41) jump= 0.137494 -0.425907 0.249224 0.858828 5.10377 -73.9413 27.0663 # jumping subtree containing T0136:P 56 (55) jump= 0.889097 -0.40765 0.117855 -0.171573 35.4352 13.7716 -24.7391 # generation 36: best score out of 40: T0136.try1-al4 63.4454 cost/residue, 188 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 338 ## TwoFragment 2 ## CrossOver 28 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 152 ## OptSubtree 281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.138781 0.353289 0.925034 0.0154256 13.1802 -18.6193 -6.12426 # jumping subtree containing T0136:R 66 (65) jump= 0.978199 -0.0602612 0.193967 0.0432721 -19.3669 11.0768 -2.26449 # Removing break before 9 # jumping subtree containing T0136:R 66 (65) jump= 0.882515 0.445955 -0.149208 0.00525081 12.8382 -14.0835 12.9353 # generation 37: best score out of 40: T0136.try1-al4 63.2889 cost/residue, 184 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 340 ## TwoFragment 2 ## CrossOver 28 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 162 ## OptSubtree 298 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:S 10 (9) jump= 0.992853 -0.0478067 0.0127912 0.108599 2.30901 11.634 3.11258 # jumping subtree containing T0136:R 66 (65) jump= 0.998873 0.033687 0.030013 -0.0147127 7.31223 6.46567 6.3182 # jumping subtree containing T0136:H 39 (38) jump= 0.98745 0.135267 0.0738507 0.0345036 -5.70551 -7.69522 4.7451 # jumping subtree containing T0136:R 66 (65) jump= -0.97868 0.0449299 -0.197079 -0.0364095 9.40863 6.60672 13.5547 # jumping subtree containing T0136:R 66 (65) jump= 0.924468 0.308282 0.202013 -0.0975275 11.8555 6.03898 23.2809 # jumping subtree containing T0136:G 42 (41) jump= -0.257477 -0.0439552 0.479772 -0.837611 -14.1888 -40.2114 -18.8031 # generation 38: best score out of 40: T0136.try1-al4 63.2889 cost/residue, 184 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 341 ## TwoFragment 2 ## CrossOver 28 ## CrossAndInsert 23 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 173 ## OptSubtree 318 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.809024 0.179126 -0.518366 0.211403 32.229 -16.8128 -1.36804 # jumping subtree containing T0136:S 10 (9) jump= 0.648576 -0.0240617 0.327054 -0.686882 39.2615 -13.4191 -30.1371 # jumping subtree containing T0136:R 66 (65) jump= 0.391038 0.213203 -0.877533 -0.177681 0.833023 0.0732555 42.1057 # Removing break before 9 # jumping subtree containing T0136:R 66 (65) jump= -0.176836 -0.88497 0.341138 0.263023 -1.1852 -46.4303 41.1837 # generation 39: best score out of 40: T0136.try1-al4 63.2392 cost/residue, 184 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 342 ## TwoFragment 2 ## CrossOver 29 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 180 ## OptSubtree 339 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 10 (9) jump= -0.338237 -0.744217 0.1214 -0.563027 -25.7566 -22.995 43.6426 # jumping subtree containing T0136:R 66 (65) jump= 0.992315 -0.0746873 -0.0272255 0.0948234 -2.27832 -27.3473 3.65005 # jumping subtree containing T0136:S 10 (9) jump= -0.843772 -0.270555 0.154977 0.436841 26.7662 -13.1216 23.4849 # generation 40: best score out of 40: T0136.try1-al4 63.2391 cost/residue, 184 clashes 0.0250594 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 342 ## TwoFragment 2 ## CrossOver 31 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 186 ## OptSubtree 355 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.858561 0.0253968 -0.317649 0.401656 -3.74313 2.92428 -3.05356 # jumping subtree containing T0136:R 66 (65) jump= 0.677347 -0.151889 -0.520734 -0.496957 62.8841 -8.88196 18.8361 # jumping subtree containing T0136:R 66 (65) jump= -0.932998 -0.217237 0.115232 0.262763 48.4556 23.301 5.26817 # generation 41: best score out of 40: T0136.try1-al4 63.0066 cost/residue, 168 clashes 0.0250595 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 344 ## TwoFragment 2 ## CrossOver 31 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 195 ## OptSubtree 372 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.956195 -0.0883227 -0.248662 0.126719 -12.5678 -18.393 -34.6235 # jumping subtree containing T0136:V 79 (78) jump= -0.655929 -0.248951 -0.0395967 0.711486 16.7015 -45.4492 -6.01881 # jumping subtree containing T0136:G 42 (41) jump= -0.0183251 -0.381985 -0.896808 0.222456 46.0126 11.7275 19.1958 # generation 42: best score out of 40: T0136.try1-al4 62.8968 cost/residue, 167 clashes 0.0214815 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 346 ## TwoFragment 2 ## CrossOver 31 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 206 ## OptSubtree 390 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.971197 0.0489037 -0.0606778 -0.225174 -7.22111 11.0734 -7.42159 # jumping subtree containing T0136:R 66 (65) jump= -0.392342 0.810003 -0.430645 0.0671302 -27.1944 -40.4707 5.8529 # jumping subtree containing T0136:G 42 (41) jump= -0.918607 -0.202651 0.0392866 -0.336972 -29.3311 -20.2818 1.57328 # jumping subtree containing T0136:G 42 (41) jump= 0.429777 -0.0490644 0.170064 0.885417 5.2931 -23.5762 -14.8708 # jumping subtree containing T0136:G 31 (30) jump= -0.658486 0.233229 0.715534 0.00325156 14.2243 23.4301 -7.60459 # Removing break before 9 # generation 43: best score out of 40: T0136.try1-al4 62.8968 cost/residue, 167 clashes 0.0214815 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 346 ## TwoFragment 2 ## CrossOver 31 ## CrossAndInsert 24 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 218 ## OptSubtree 408 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.943031 0.112156 -0.0403533 0.31062 -7.84195 17.8877 -1.27495 # jumping subtree containing T0136:R 66 (65) jump= 0.409957 0.00446724 -0.0966327 0.906961 -4.50292 -8.08696 10.4615 # jumping subtree containing T0136:R 66 (65) jump= 0.743884 0.668269 0.000210687 0.00727139 -18.9615 -1.36006 38.2846 # generation 44: best score out of 40: T0136.try1-al4 62.8813 cost/residue, 167 clashes 0.0214815 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 346 ## TwoFragment 2 ## CrossOver 31 ## CrossAndInsert 24 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 224 ## OptSubtree 431 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.852095 0.301472 0.37296 0.20964 10.8008 -9.63681 14.0538 # jumping subtree containing T0136:S 10 (9) jump= 0.817939 -0.169513 0.123849 0.535632 -16.9038 -17.7404 -13.2671 # jumping subtree containing T0136:G 42 (41) jump= -0.76169 0.353789 0.448402 0.305937 37.6103 -27.2871 -5.85711 # Removing break before 9 # jumping subtree containing T0136:R 66 (65) jump= 0.506764 -0.736805 -0.340233 0.290777 -12.0859 -11.9025 -25.9249 # jumping subtree containing T0136:S 10 (9) jump= 0.407722 0.816145 -0.356663 0.20115 -3.69799 16.5076 8.56015 # Removing break before 9 # jumping subtree containing T0136:R 66 (65) jump= -0.384068 0.0433445 -0.68401 0.618663 -21.1522 0.784735 -30.5886 # generation 45: best score out of 40: T0136.try1-al4 62.8813 cost/residue, 167 clashes 0.0214815 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 347 ## TwoFragment 2 ## CrossOver 31 ## CrossAndInsert 24 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 227 ## OptSubtree 451 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.998827 0.0367748 -0.00885384 0.0302414 -6.17095 -18.6831 16.2496 # jumping subtree containing T0136:G 42 (41) jump= 0.961338 -0.0378804 -0.210627 0.173296 1.1384 5.16232 -2.56499 # jumping subtree containing T0136:G 42 (41) jump= -0.987898 -0.0787865 -0.0531582 0.122573 30.8278 15.4939 -0.39467 # generation 46: best score out of 40: T0136.try1-al4 62.8813 cost/residue, 167 clashes 0.0214815 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 347 ## TwoFragment 2 ## CrossOver 32 ## CrossAndInsert 24 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 235 ## OptSubtree 473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.999988 -0.00152622 0.00109857 0.00463178 -13.7953 6.21864 -6.10858 # generation 47: best score out of 40: T0136.try1-al4 62.8813 cost/residue, 167 clashes 0.0214815 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 347 ## TwoFragment 2 ## CrossOver 35 ## CrossAndInsert 24 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 239 ## OptSubtree 490 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 10 (9) jump= -0.811501 0.209584 -0.220598 -0.498876 -19.3492 -38.881 -11.6573 # jumping subtree containing T0136:A 1 (0) jump= 0.361266 0.00501958 0.0892708 -0.928166 46.5954 -10.5833 3.00301 # Removing break before 9 # Removing break before 9 # jumping subtree containing T0136:G 42 (41) jump= 0.899328 0.313479 0.279355 0.122073 14.1846 -12.2798 13.0809 # jumping subtree containing T0136:S 10 (9) jump= 0.344172 0.0820677 0.0855626 -0.931391 64.8029 -13.8745 8.3266 # generation 48: best score out of 40: T0136.try1-al4 62.8139 cost/residue, 171 clashes 0.0129003 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 347 ## TwoFragment 2 ## CrossOver 37 ## CrossAndInsert 24 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 242 ## OptSubtree 509 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.882684 -0.182934 -0.0881907 0.423823 22.6059 23.5721 -9.65978 # jumping subtree containing T0136:L 19 (18) jump= -0.67065 -0.583515 0.387687 0.243799 18.1601 16.2862 40.1095 # jumping subtree containing T0136:L 19 (18) jump= 0.958847 0.0967325 0.168345 0.207161 -5.32539 4.44063 14.3577 # jumping subtree containing T0136:G 42 (41) jump= -0.972468 0.0779613 -0.186312 0.116255 -12.7305 -8.33229 12.1206 # generation 49: best score out of 40: T0136.try1-al4 62.8139 cost/residue, 171 clashes 0.0129003 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 347 ## TwoFragment 2 ## CrossOver 38 ## CrossAndInsert 25 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 245 ## OptSubtree 528 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.779278 0.158207 -0.224467 0.563304 4.30313 -26.2996 4.82092 # Removing break before 41 # jumping subtree containing T0136:R 15 (14) jump= 0.902388 -0.352967 0.207952 0.133661 -36.0882 -9.45166 -13.6155 # jumping subtree containing T0136:R 66 (65) jump= -0.30793 0.41299 -0.637831 0.57253 -48.0309 -15.7016 9.78393 # generation 50: best score out of 40: T0136.try1-al4 62.8139 cost/residue, 171 clashes 0.0129003 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 347 ## TwoFragment 2 ## CrossOver 40 ## CrossAndInsert 25 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 253 ## OptSubtree 549 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.921599 -0.253282 0.154728 -0.250128 1.08917 23.3035 -9.74733 # jumping subtree containing T0136:R 66 (65) jump= 0.959331 -0.176001 0.1989 -0.0956373 9.96045 9.80116 -26.0294 # jumping subtree containing T0136:G 42 (41) jump= 0.774604 -0.365746 0.199891 -0.47567 -9.30059 -23.8083 0.72209 # jumping subtree containing T0136:R 66 (65) jump= -0.0653618 0.161982 -0.797755 0.577129 -35.869 -32.6444 -10.3735 # jumping subtree containing T0136:G 42 (41) jump= -0.210342 0.222966 -0.575758 0.757988 14.0763 -20.7581 -2.28477 # jumping subtree containing T0136:R 66 (65) jump= -0.700088 -0.677406 -0.208654 -0.0863811 0.094444 -11.0283 34.9079 # jumping subtree containing T0136:R 15 (14) jump= -0.807944 -0.179031 0.244343 0.505442 52.9601 -12.2089 3.44136 # generation 51: best score out of 40: T0136.try1-al4 62.78 cost/residue, 164 clashes 0.0129003 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 348 ## TwoFragment 2 ## CrossOver 42 ## CrossAndInsert 25 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 257 ## OptSubtree 566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.982468 -0.0279719 -0.181777 0.0305229 -0.192657 5.24743 -26.8451 # jumping subtree containing T0136:A 78 (77) jump= -0.95728 -0.168334 0.160001 -0.172275 -16.0676 22.9488 19.257 # jumping subtree containing T0136:A 78 (77) jump= 0.746777 0.198472 0.548795 -0.318994 -0.970324 2.70931 -10.706 # jumping subtree containing T0136:A 78 (77) jump= -0.89125 0.398645 -0.176644 -0.124711 -22.0774 -22.7873 -46.258 # jumping subtree containing T0136:A 78 (77) jump= 0.996322 -0.0850084 0.00935425 -0.00524875 -1.85096 -16.2482 4.0932 # jumping subtree containing T0136:G 42 (41) jump= 0.978403 -0.0195241 0.196762 -0.0602625 11.9697 2.46538 11.907 # jumping subtree containing T0136:A 78 (77) jump= 0.832019 0.0999195 0.516965 0.174665 -54.3608 -10.5264 8.86201 # jumping subtree containing T0136:G 42 (41) jump= 0.132206 -0.624509 -0.281001 0.716623 23.8825 -47.7647 -6.93754 # generation 52: best score out of 40: T0136.try1-al4 62.5801 cost/residue, 169 clashes 0.0111445 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 349 ## TwoFragment 2 ## CrossOver 45 ## CrossAndInsert 25 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 263 ## OptSubtree 580 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.88338 0.298361 -0.324549 0.159025 -2.40828 -4.67351 -20.2807 # jumping subtree containing T0136:R 15 (14) jump= -0.00486862 -0.228326 0.340641 0.912035 44.4836 -45.6709 14.9775 # Removing break before 41 # jumping subtree containing T0136:A 78 (77) jump= -0.307676 -0.521458 0.507641 -0.612958 -53.5813 -1.25159 15.2073 # jumping subtree containing T0136:E 13 (12) jump= 0.751735 -0.0501432 -0.210987 -0.622788 26.4567 -50.7364 11.178 # generation 53: best score out of 40: T0136.try1-al4 62.5801 cost/residue, 169 clashes 0.0111445 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 349 ## TwoFragment 2 ## CrossOver 46 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 272 ## OptSubtree 599 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.545164 -0.202816 -0.00575981 -0.813406 -0.885527 -47.0749 -4.90415 # jumping subtree containing T0136:G 14 (13) jump= -0.22249 -0.367144 0.785944 0.444966 32.3886 -17.964 65.4139 # jumping subtree containing T0136:R 15 (14) jump= 0.744599 0.41103 -0.203034 -0.485183 20.7905 -22.3804 33.1374 # jumping subtree containing T0136:R 15 (14) jump= 0.568932 0.0142758 0.735778 -0.367074 -8.35473 34.0854 7.1383 # jumping subtree containing T0136:R 15 (14) jump= -0.173627 -0.63446 0.727574 -0.194809 -45.1304 -34.2238 33.9508 # jumping subtree containing T0136:G 42 (41) jump= -0.821692 0.283254 -0.399352 0.291733 -8.17618 -27.514 7.91381 # jumping subtree containing T0136:R 15 (14) jump= 0.6084 0.612575 0.154108 -0.48047 28.1914 -1.94932 57.7707 # jumping subtree containing T0136:R 66 (65) jump= -0.60613 0.761442 0.219307 0.0686829 34.4143 -29.9409 6.56771 # jumping subtree containing T0136:R 34 (33) jump= 0.98426 0.0818595 0.126417 0.0924641 4.56037 6.25787 4.21008 # jumping subtree containing T0136:G 42 (41) jump= -0.0845579 0.161001 0.0815962 0.979934 -7.16338 -31.9457 15.7029 # generation 54: best score out of 40: T0136.try1-al4 62.5801 cost/residue, 169 clashes 0.0111444 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 349 ## TwoFragment 2 ## CrossOver 46 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 278 ## OptSubtree 626 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.54903 0.484565 0.499114 -0.4633 -15.9747 -10.685 -7.61798 # Removing break before 41 # jumping subtree containing T0136:V 79 (78) jump= 0.542675 0.212563 -0.616086 -0.529866 -11.8506 -48.7654 38.2323 # jumping subtree containing T0136:R 15 (14) jump= -0.836157 0.0291483 0.200941 -0.509525 -20.339 -28.9837 10.044 # jumping subtree containing T0136:V 79 (78) jump= -0.357398 0.125702 0.310153 -0.871935 -78.4082 -6.00307 -26.8903 # jumping subtree containing T0136:R 15 (14) jump= 0.176371 0.323877 0.160014 -0.915638 52.1404 -41.3483 13.1608 # generation 55: best score out of 40: T0136.try1-al4 62.3019 cost/residue, 191 clashes 0.0214794 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 350 ## TwoFragment 2 ## CrossOver 48 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 287 ## OptSubtree 644 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 15 (14) jump= -0.395152 0.578082 0.518074 -0.491198 56.283 -41.8518 -2.95138 # jumping subtree containing T0136:A 78 (77) jump= -0.949145 -0.260661 -0.13486 0.113981 22.5433 -28.3866 18.7116 # jumping subtree containing T0136:A 78 (77) jump= -0.227807 -0.27224 -0.34054 -0.870644 -8.23654 -26.5366 25.0845 # jumping subtree containing T0136:A 78 (77) jump= -0.133276 0.83245 0.256193 -0.472896 55.8823 -25.3709 44.4415 # jumping subtree containing T0136:N 5 (4) jump= 0.161247 -0.278185 -0.37478 -0.86957 -19.2386 -142.703 64.4321 # generation 56: best score out of 40: T0136.try1-al4 62.2536 cost/residue, 174 clashes 0.0111445 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 351 ## TwoFragment 2 ## CrossOver 49 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 290 ## OptSubtree 664 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.984024 -0.162901 -0.0117174 -0.070867 0.0522707 22.8889 24.4808 # jumping subtree containing T0136:A 1 (0) jump= -0.92496 -0.127502 -0.0580679 -0.3533 -37.6855 26.9682 18.1451 # jumping subtree containing T0136:L 50 (49) jump= -0.305052 0.540863 -0.773706 0.125659 -53.2254 -39.1222 38.7625 # jumping subtree containing T0136:A 78 (77) jump= 0.301118 0.900394 -0.02124 -0.313318 5.4279 11.989 37.0373 # jumping subtree containing T0136:A 1 (0) jump= 0.70492 -0.466461 0.127736 0.518831 -36.1631 -18.4084 -20.2788 # jumping subtree containing T0136:G 42 (41) jump= -0.00436331 0.557491 0.467477 0.686039 -2.50285 -50.1465 47.33 # jumping subtree containing T0136:R 66 (65) jump= -0.896215 -0.193881 -0.0259703 0.398165 42.9843 -23.8232 33.6889 # jumping subtree containing T0136:V 79 (78) jump= 0.630242 0.772109 0.0723512 0.0375249 -29.161 16.7133 40.6219 # generation 57: best score out of 40: T0136.try1-al4 62.2536 cost/residue, 174 clashes 0.0111443 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 351 ## TwoFragment 2 ## CrossOver 49 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 299 ## OptSubtree 686 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 16 (15) jump= 0.867726 -0.219212 -0.140988 0.423225 -12.0869 -34.5033 -33.23 # jumping subtree containing T0136:A 78 (77) jump= -0.968711 -0.149083 -0.125171 -0.153963 -13.0448 11.4781 -13.8903 # jumping subtree containing T0136:A 78 (77) jump= 0.565907 0.000578874 -0.0912047 0.819409 37.8884 -28.8072 -2.46908 # jumping subtree containing T0136:A 78 (77) jump= -0.874124 0.0222931 0.418591 0.24534 21.2043 -35.6724 60.9201 # jumping subtree containing T0136:R 15 (14) jump= -0.761012 -0.105132 -0.516536 -0.378152 -44.8463 -44.0112 26.6787 # jumping subtree containing T0136:R 23 (22) jump= 0.363704 0.615242 -0.680868 0.160049 -35.9891 -4.66784 42.8526 # jumping subtree containing T0136:R 49 (48) jump= 0.646645 -0.422474 0.630844 -0.0735046 -58.2529 -13.9208 11.2383 # jumping subtree containing T0136:T 70 (69) jump= -0.682764 -0.638381 -0.154165 -0.320213 -20.2753 -0.374869 43.0657 # jumping subtree containing T0136:V 16 (15) jump= 0.554931 -0.725968 -0.0865251 0.396908 7.88629 -54.1786 28.7915 # generation 58: best score out of 40: T0136.try1-al4 61.6751 cost/residue, 165 clashes 0.0111442 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 351 ## TwoFragment 2 ## CrossOver 51 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 313 ## OptSubtree 705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 15 (14) jump= -0.0232349 -0.835651 -0.231704 0.497454 67.4443 -49.4386 59.7679 # jumping subtree containing T0136:F 65 (64) jump= -0.974847 0.116548 -0.189907 -0.00493193 -21.8628 -10.3992 -33.4867 # jumping subtree containing T0136:R 15 (14) jump= -0.340072 -0.204023 -0.250326 0.883212 10.7747 -43.4769 5.11234 # jumping subtree containing T0136:F 65 (64) jump= -0.474305 0.384962 0.512911 -0.603127 -28.2337 18.057 -5.45007 # jumping subtree containing T0136:R 15 (14) jump= 0.94815 -0.193767 -0.1031 -0.22986 31.5218 -39.48 -4.50446 # jumping subtree containing T0136:A 78 (77) jump= -0.800004 0.146188 0.0316549 -0.581051 -8.37121 21.8841 -11.7582 # jumping subtree containing T0136:H 39 (38) jump= -0.764566 0.0758334 -0.602008 -0.217425 -14.8716 14.2701 26.4053 # generation 59: best score out of 40: T0136.try1-al4 61.6751 cost/residue, 165 clashes 0.0111442 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 352 ## TwoFragment 2 ## CrossOver 51 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 318 ## OptSubtree 726 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.759524 0.345466 -0.161744 0.526892 -44.1356 -16.9677 24.3776 # jumping subtree containing T0136:A 78 (77) jump= -0.797562 -0.578114 0.0164208 0.171491 -13.5829 29.8209 4.53454 # jumping subtree containing T0136:A 78 (77) jump= 0.185433 -0.114457 -0.940079 -0.262233 -39.5965 -6.73447 81.7453 # jumping subtree containing T0136:R 15 (14) jump= 0.609218 -0.031625 -0.776564 -0.157486 32.8507 -18.4839 88.7877 # jumping subtree containing T0136:G 42 (41) jump= -0.967443 -0.141743 0.208967 -0.0171889 41.0194 -4.23885 27.9205 # jumping subtree containing T0136:G 42 (41) jump= 0.0183478 -0.34689 -0.425324 -0.835722 -63.1332 -55.4105 53.342 # jumping subtree containing T0136:R 15 (14) jump= -0.701398 0.0507352 -0.164501 0.691669 0.509627 -42.0021 17.5392 # generation 60: best score out of 40: T0136.try1-al4 61.347 cost/residue, 170 clashes 0.0111443 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 352 ## TwoFragment 2 ## CrossOver 53 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 324 ## OptSubtree 748 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.771363 -0.602049 0.197052 -0.0608897 -4.65865 -29.205 24.1592 # jumping subtree containing T0136:G 42 (41) jump= 0.378588 -0.295381 -0.145423 0.865028 -23.6349 4.72619 -33.9846 # jumping subtree containing T0136:N 51 (50) jump= 0.748048 -0.110171 0.653105 0.0417162 -89.377 5.69583 38.9182 # jumping subtree containing T0136:K 37 (36) jump= 0.999998 0.000480407 0.000485039 -0.00208295 -17.6623 -0.344357 -6.16884 # Removing break before 41 # jumping subtree containing T0136:N 51 (50) jump= 0.677244 0.57299 0.347737 -0.303485 -26.3026 6.33114 -18.2571 # Removing break before 41 # jumping subtree containing T0136:A 78 (77) jump= -0.976371 -0.0826619 -0.126221 0.154708 -30.886 -9.07148 8.66166 # generation 61: best score out of 40: T0136.try1-al4 61.347 cost/residue, 170 clashes 0.0111443 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 353 ## TwoFragment 2 ## CrossOver 53 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 331 ## OptSubtree 774 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.575416 0.624699 0.463722 -0.252209 -28.41 -3.21951 -17.8819 # jumping subtree containing T0136:A 78 (77) jump= 0.490821 0.236456 -0.672741 0.500602 -64.8281 0.825859 38.7887 # jumping subtree containing T0136:A 78 (77) jump= -0.971949 -0.137097 0.152357 -0.115358 4.166 -4.63211 10.4672 # jumping subtree containing T0136:A 78 (77) jump= -0.0989059 -0.956785 -0.273396 -0.00591989 2.52854 -65.4541 86.4011 # Removing break before 41 # jumping subtree containing T0136:A 78 (77) jump= -0.729756 0.025422 -0.514716 0.449308 -12.1717 6.18794 -16.7088 # jumping subtree containing T0136:R 23 (22) jump= -0.889043 -0.146552 -0.427457 -0.0735262 6.061 -3.96013 24.3519 # Removing break before 41 # jumping subtree containing T0136:R 15 (14) jump= 0.436023 -0.123592 0.422555 -0.784892 16.1996 -12.1474 -21.1875 # jumping subtree containing T0136:A 78 (77) jump= -0.821043 -0.431334 -0.0542886 -0.369989 -11.0577 -9.6718 -7.45035 # jumping subtree containing T0136:A 1 (0) jump= 0.953096 0.0363238 -0.28489 0.0955308 17.426 3.40614 -0.543827 # generation 62: best score out of 40: T0136.try1-al4 61.3469 cost/residue, 170 clashes 0.0111445 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 353 ## TwoFragment 2 ## CrossOver 54 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 337 ## OptSubtree 796 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.976651 0.143216 0.119082 -0.107056 16.8019 -23.3538 9.07175 # jumping subtree containing T0136:A 78 (77) jump= -0.300461 0.702447 -0.326811 -0.556315 -46.3534 -49.0633 -53.2593 # jumping subtree containing T0136:G 42 (41) jump= -0.681314 0.263185 0.318494 0.604241 29.9211 -52.7586 15.569 # jumping subtree containing T0136:G 42 (41) jump= 0.79764 0.402162 -0.198879 -0.403091 54.9742 -70.7402 61.6749 # jumping subtree containing T0136:A 78 (77) jump= -0.78364 0.581688 0.145625 -0.162298 2.8034 -27.5802 -3.3512 # Removing break before 41 # jumping subtree containing T0136:A 78 (77) jump= -0.461295 -0.234403 -0.0348373 -0.855014 -21.5955 5.4858 16.6532 # jumping subtree containing T0136:R 23 (22) jump= 0.348792 0.882355 0.273071 0.15883 6.34731 -40.533 49.2537 # jumping subtree containing T0136:A 78 (77) jump= 0.9552 -0.220492 -0.179785 0.0815746 -17.5295 -0.339476 -5.80668 # jumping subtree containing T0136:A 1 (0) jump= 0.762706 -0.526758 -0.0782762 -0.366985 12.5406 -36.8127 11.8307 # jumping subtree containing T0136:R 23 (22) jump= -0.551249 -0.348479 0.454425 -0.606782 -39.2715 -7.42766 8.37726 # generation 63: best score out of 40: T0136.try1-al4 61.2264 cost/residue, 161 clashes 0.0111445 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 354 ## TwoFragment 2 ## CrossOver 54 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 338 ## OptSubtree 818 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.796489 -0.392951 -0.132459 0.440055 -14.7597 -31.8859 -24.2228 # jumping subtree containing T0136:A 78 (77) jump= -0.556837 -0.762675 -0.119573 -0.306532 -50.0769 -36.2586 85.4921 # jumping subtree containing T0136:A 78 (77) jump= -0.148352 0.471733 -0.659593 0.566036 -25.278 -16.7283 -33.5104 # jumping subtree containing T0136:A 64 (63) jump= 0.0118803 0.175289 0.822553 0.540869 -88.812 -44.5929 61.6365 # jumping subtree containing T0136:A 78 (77) jump= 0.338586 -0.0827784 0.0336723 0.936682 -63.5805 -24.7263 -1.55623 # jumping subtree containing T0136:A 78 (77) jump= -0.999598 -0.00443882 0.00253259 -0.0279001 0.911111 -11.2867 10.6597 # jumping subtree containing T0136:A 78 (77) jump= -0.734788 0.624222 -0.0177329 -0.264799 -27.4784 -68.8462 -2.03335 # generation 64: best score out of 40: T0136.try1-al4 61.2264 cost/residue, 161 clashes 0.0111445 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 357 ## TwoFragment 2 ## CrossOver 54 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 343 ## OptSubtree 834 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.496784 -0.748896 0.244079 -0.364399 -70.0177 -28.8995 106.48 # jumping subtree containing T0136:A 78 (77) jump= -0.949475 -0.23413 0.0903095 0.188479 38.5087 -30.2199 27.5098 # jumping subtree containing T0136:G 42 (41) jump= -0.428533 0.350001 0.233536 -0.799575 -79.8474 -30.5333 -14.2893 # jumping subtree containing T0136:Q 41 (40) jump= 0.970419 0.0224676 -0.134666 0.199116 -35.7039 26.0265 -2.28666 # jumping subtree containing T0136:A 78 (77) jump= -0.844425 -0.408049 -0.102781 -0.331479 -64.7273 9.07997 42.9208 # jumping subtree containing T0136:L 50 (49) jump= -0.229212 0.108975 -0.691691 0.676129 -108.674 -35.6725 8.03289 # jumping subtree containing T0136:A 78 (77) jump= -0.994088 0.0416893 0.00580668 -0.100086 -4.1884 2.04851 6.9363 # jumping subtree containing T0136:K 77 (76) jump= 0.335244 0.41857 -0.318815 0.781516 -100.899 -31.1033 23.6652 # jumping subtree containing T0136:R 23 (22) jump= -0.000995803 0.989681 0.126909 -0.0665137 14.9048 -58.5876 28.1267 # jumping subtree containing T0136:N 51 (50) jump= 0.901012 0.109713 -0.0895975 -0.410016 21.6403 -47.2994 30.4441 # jumping subtree containing T0136:R 66 (65) jump= -0.864808 0.272293 -0.332323 -0.259856 -30.0589 -4.10467 -51.1083 # generation 65: best score out of 40: T0136.try1-al4 61.0803 cost/residue, 159 clashes 0.0419493 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 358 ## TwoFragment 2 ## CrossOver 56 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 352 ## OptSubtree 856 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.0445659 0.325621 0.302347 -0.894746 -69.8445 -42.6067 -53.3123 # jumping subtree containing T0136:G 42 (41) jump= -0.711402 -0.291864 -0.638516 0.0319305 -36.4885 33.9002 22.4418 # jumping subtree containing T0136:A 78 (77) jump= 0.327278 0.121092 -0.39626 -0.849237 -27.4729 -128.055 61.9559 # jumping subtree containing T0136:A 78 (77) jump= -0.70217 -0.146923 0.584899 -0.378503 -53.1945 -10.8302 38.567 # jumping subtree containing T0136:A 78 (77) jump= -0.0917806 0.872171 -0.457627 0.146533 -55.2583 -115.346 4.07114 # jumping subtree containing T0136:G 42 (41) jump= -0.991475 0.121177 -0.00933933 -0.0469788 -14.8484 -21.2877 -20.9048 # jumping subtree containing T0136:A 1 (0) jump= -0.216847 0.141659 0.833281 -0.488418 -56.0709 54.4622 47.4869 # jumping subtree containing T0136:A 78 (77) jump= -0.997358 0.0285913 -0.0236747 -0.0624431 5.16633 14.8488 14.9835 # jumping subtree containing T0136:A 78 (77) jump= -0.998536 0.00453889 0.0154644 -0.0516365 6.84678 -9.13322 24.8296 # generation 66: best score out of 40: T0136.try1-al4 61.0803 cost/residue, 159 clashes 0.0419492 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 358 ## TwoFragment 2 ## CrossOver 57 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 360 ## OptSubtree 871 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= 0.693971 0.645538 0.318444 0.0166888 -20.6976 38.5061 45.0624 # jumping subtree containing T0136:A 78 (77) jump= -0.0862808 -0.0016767 -0.788868 0.608474 -64.7075 -33.5842 -25.8536 # jumping subtree containing T0136:T 70 (69) jump= -0.468659 -0.164536 0.167859 -0.851534 -174.306 7.71696 21.8025 # jumping subtree containing T0136:G 42 (41) jump= 0.879138 0.261092 -0.276434 -0.287282 22.4533 -36.4349 80.7631 # jumping subtree containing T0136:G 42 (41) jump= 0.0146692 -0.776142 -0.500923 -0.382706 -56.9344 -14.6557 125.945 # jumping subtree containing T0136:A 78 (77) jump= 0.553342 -0.0415625 -0.650665 -0.518383 9.33528 -78.7088 89.9805 # jumping subtree containing T0136:A 78 (77) jump= -0.0192868 0.602405 0.251374 0.757329 -89.7374 -82.6246 70.6999 # jumping subtree containing T0136:A 78 (77) jump= -0.609134 0.543312 0.572961 0.0740551 16.5955 -25.8997 33.4828 # jumping subtree containing T0136:F 65 (64) jump= -0.010963 -0.987571 0.137467 0.0754072 6.56685 -82.8421 32.1452 # jumping subtree containing T0136:A 78 (77) jump= 0.711776 -0.679173 -0.133298 -0.11971 -12.6918 -66.2334 8.66335 # generation 67: best score out of 40: T0136.try1-al4 61.0802 cost/residue, 159 clashes 0.0419492 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 358 ## TwoFragment 2 ## CrossOver 60 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 364 ## OptSubtree 900 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.786104 0.504566 -0.145091 0.326194 -33.0119 -93.9803 -14.9607 # jumping subtree containing T0136:R 15 (14) jump= 0.4659 -0.860642 0.153274 0.136892 -36.044 -128.981 19.6184 # Removing break before 53 # jumping subtree containing T0136:R 15 (14) jump= 0.443739 0.209091 -0.126974 0.862122 -111.16 -40.3566 45.4708 # jumping subtree containing T0136:A 64 (63) jump= -0.912231 -0.386738 -0.100373 0.090517 -14.1901 6.42827 34.6871 # jumping subtree containing T0136:G 42 (41) jump= -0.996355 0.0104776 0.0810598 -0.0244291 -7.84378 -18.5168 27.6416 # jumping subtree containing T0136:G 42 (41) jump= -0.765611 0.436409 0.283392 0.378254 20.2226 -59.8953 46.4658 # jumping subtree containing T0136:A 78 (77) jump= -0.887289 -0.405604 0.143815 -0.165895 -2.60896 35.8598 58.2073 # jumping subtree containing T0136:A 78 (77) jump= -0.723705 0.425341 0.454748 0.297558 10.7004 -60.0042 28.6123 # jumping subtree containing T0136:G 42 (41) jump= 0.915637 -0.344 0.207428 -0.0157164 -20.7323 -32.5712 -61.6352 # generation 68: best score out of 40: T0136.try1-al4 61.0802 cost/residue, 159 clashes 0.0419492 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 358 ## TwoFragment 2 ## CrossOver 60 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 370 ## OptSubtree 923 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 73 (72) jump= -0.735359 0.104286 0.619897 0.253179 -16.4366 -22.8965 92.2708 # Removing break before 53 # jumping subtree containing T0136:K 7 (6) jump= -0.107857 -0.954665 -0.172677 -0.217173 -4.83069 -1.42591 102.919 # jumping subtree containing T0136:A 78 (77) jump= -0.448876 -0.763345 0.369951 0.280982 -24.0499 -75.0195 51.4421 # jumping subtree containing T0136:A 78 (77) jump= 0.0206663 0.0265431 -0.998951 0.0310811 -90.8174 -6.23763 26.1858 # jumping subtree containing T0136:A 78 (77) jump= 0.133476 0.878245 0.425478 -0.17274 47.9624 -34.8488 66.8954 # jumping subtree containing T0136:A 78 (77) jump= -0.746989 0.639855 0.0851485 0.159194 18.3432 -71.1253 17.6676 # jumping subtree containing T0136:L 54 (53) jump= -0.933376 -0.139003 0.171455 -0.283002 -14.4698 36.5423 30.4526 # jumping subtree containing T0136:R 66 (65) jump= 0.788907 0.317331 -0.33209 -0.408219 -25.3264 -66.8042 57.2223 # jumping subtree containing T0136:G 42 (41) jump= -0.0680878 0.816938 0.194649 0.538598 -44.9119 -57.2335 107.156 # jumping subtree containing T0136:S 40 (39) jump= 0.921805 -0.156428 -0.256176 0.245317 -34.1574 3.26408 24.9401 # jumping subtree containing T0136:A 78 (77) jump= -0.73143 -0.566984 0.306476 0.222735 10.1381 -44.6844 57.9658 # jumping subtree containing T0136:G 42 (41) jump= 0.266157 -0.0517729 0.64475 0.714687 -107.858 -40.771 17.1935 # generation 69: best score out of 40: T0136.try1-al4 61.0802 cost/residue, 159 clashes 0.0419489 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 358 ## TwoFragment 2 ## CrossOver 64 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 375 ## OptSubtree 938 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.017075 0.807767 -0.58806 0.037508 -114.715 -118.716 51.9752 # jumping subtree containing T0136:A 78 (77) jump= 0.939811 -0.306527 0.0965669 0.116069 -23.493 -29.0946 -43.5723 # jumping subtree containing T0136:G 42 (41) jump= -0.192431 0.47083 -0.554781 -0.658412 -137.296 -91.8352 -18.7004 # jumping subtree containing T0136:E 61 (60) jump= 0.906021 0.407916 -0.103084 0.0458836 -27.0492 12.3362 48.3433 # jumping subtree containing T0136:G 42 (41) jump= -0.16716 0.539234 -0.825266 0.0147999 -140.244 -93.6441 7.50943 # jumping subtree containing T0136:G 42 (41) jump= 0.450162 -0.0294249 0.0558556 -0.890713 -53.0017 -125.805 2.2895 # jumping subtree containing T0136:R 66 (65) jump= 0.757935 0.413474 -0.346751 0.366521 -41.781 10.4818 83.0608 # generation 70: best score out of 40: T0136.try1-al4 61.0802 cost/residue, 159 clashes 0.0419489 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 358 ## TwoFragment 2 ## CrossOver 65 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 376 ## OptSubtree 960 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.233402 0.892668 0.315488 -0.221662 57.7958 -76.4965 78.5324 # jumping subtree containing T0136:Q 24 (23) jump= -0.698811 -0.553959 0.366237 0.265825 -12.8535 -93.9991 99.0556 # jumping subtree containing T0136:A 78 (77) jump= 0.403793 0.146928 -0.0881929 0.898658 -117.698 -31.4115 30.1357 # jumping subtree containing T0136:G 42 (41) jump= 0.996376 0.0712493 0.0176344 -0.0429794 13.8075 -25.8065 -3.97534 # jumping subtree containing T0136:G 42 (41) jump= 0.0404706 -0.404393 -0.405763 -0.818648 -110.712 -60.2712 75.6743 # jumping subtree containing T0136:A 1 (0) jump= 0.738403 -0.104837 -0.313191 0.587946 -75.0237 51.956 30.5879 # jumping subtree containing T0136:R 15 (14) jump= 0.347807 -0.868515 0.328017 -0.13083 -37.8493 -116.556 31.0101 # jumping subtree containing T0136:A 78 (77) jump= -0.999567 0.00572726 0.000807097 0.0288631 0.743352 13.4824 -0.780542 # jumping subtree containing T0136:G 42 (41) jump= -0.536845 -0.663418 0.502427 -0.138717 -98.0845 -77.3794 139.046 # generation 71: best score out of 40: T0136.try1-al4 60.7122 cost/residue, 155 clashes 0.0264218 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 360 ## TwoFragment 2 ## CrossOver 66 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 376 ## OptSubtree 981 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.961499 -0.26049 -0.0400429 -0.0778566 -5.29661 -23.5763 3.16102 # jumping subtree containing T0136:G 42 (41) jump= 0.278495 0.229448 0.416932 0.834243 -154.484 -109.182 99.2116 # jumping subtree containing T0136:A 78 (77) jump= -0.656814 0.296457 0.685226 -0.105704 -38.5273 8.55845 33.711 # jumping subtree containing T0136:A 1 (0) jump= -0.428445 0.40759 -0.682079 0.430201 -142.981 -50.5241 10.8654 # jumping subtree containing T0136:A 1 (0) jump= 0.218825 -0.715482 -0.62604 -0.219717 -48.7093 -1.89196 126.78 # jumping subtree containing T0136:G 42 (41) jump= 0.992335 -0.0672468 0.00533741 -0.103537 13.7538 -15.1961 -16.4258 # jumping subtree containing T0136:G 42 (41) jump= -0.993102 -0.113007 0.0308721 -0.00495694 -17.4818 0.426225 -3.88 # jumping subtree containing T0136:A 1 (0) jump= -0.192255 0.542742 0.132071 0.806862 -103.774 -61.8657 92.3906 # jumping subtree containing T0136:A 78 (77) jump= 0.499668 -0.72578 0.00132579 0.472835 -18.6717 -104.143 -47.7175 # jumping subtree containing T0136:G 42 (41) jump= -0.880117 0.419074 0.1598 0.155676 19.0851 -96.3265 -3.08891 # generation 72: best score out of 40: T0136.try1-al4 60.7122 cost/residue, 155 clashes 0.0264218 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 360 ## TwoFragment 2 ## CrossOver 67 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 377 ## OptSubtree 1008 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.86545 -0.383024 -0.265343 -0.184072 -46.9132 21.4785 34.968 # jumping subtree containing T0136:G 42 (41) jump= 0.207016 0.0483159 -0.953656 0.212956 -140.601 -9.09384 49.4924 # jumping subtree containing T0136:L 54 (53) jump= -0.581385 0.594955 -0.548621 0.0838729 -73.7001 -96.5745 -14.7775 # jumping subtree containing T0136:G 42 (41) jump= 0.166276 -0.441387 0.306257 -0.826884 -161.47 -111.375 67.6083 # jumping subtree containing T0136:G 63 (62) jump= -0.389874 -0.41113 -0.77055 0.291931 -48.8718 44.798 -0.297068 # jumping subtree containing T0136:G 42 (41) jump= 0.157761 0.673318 -0.518106 -0.50331 -54.0989 -195.094 81.8666 # jumping subtree containing T0136:A 78 (77) jump= 0.588086 0.804476 -0.0781311 0.0294758 -1.05434 -32.5395 81.5087 # Removing break before 53 # generation 73: best score out of 40: T0136.try1-al4 60.5863 cost/residue, 160 clashes 0.0264218 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 361 ## TwoFragment 2 ## CrossOver 67 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 384 ## OptSubtree 1034 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 15 (14) jump= 0.965475 0.253349 0.0517794 -0.0314989 -14.2928 -5.46604 3.5201 # jumping subtree containing T0136:R 15 (14) jump= 0.821017 -0.363259 0.165824 0.408015 -60.7143 -1.1513 -42.6014 # jumping subtree containing T0136:E 32 (31) jump= -0.757139 0.530137 0.059747 0.376997 3.88902 -80.8111 -0.301666 # Removing break before 41 # jumping subtree containing T0136:R 15 (14) jump= 0.804321 -0.429151 -0.235231 -0.336991 29.0892 -95.2768 52.4525 # jumping subtree containing T0136:G 42 (41) jump= -0.41715 0.763193 -0.313375 -0.381206 -45.0048 -117.081 -38.0052 # jumping subtree containing T0136:F 65 (64) jump= 0.677777 -0.138564 -0.0472229 -0.720548 -22.9401 -77.3676 -5.58148 # jumping subtree containing T0136:G 42 (41) jump= -0.738606 -0.376234 -0.125531 -0.545115 -90.6366 14.8734 56.9516 # jumping subtree containing T0136:G 42 (41) jump= 0.109797 -0.740994 0.188034 0.635228 -63.8163 -96.7102 -10.3456 # generation 74: best score out of 40: T0136.try1-al4 60.5863 cost/residue, 160 clashes 0.0264218 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 361 ## TwoFragment 2 ## CrossOver 70 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 384 ## OptSubtree 1055 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= -0.702557 0.452246 0.545343 -0.0669969 9.70002 12.7382 64.868 # jumping subtree containing T0136:G 42 (41) jump= -0.935171 -0.346234 -0.00470049 0.0745288 12.5125 -33.5036 28.0536 # jumping subtree containing T0136:G 42 (41) jump= 0.8855 0.00249754 0.408228 0.221887 -83.7724 0.204449 -31.7745 # jumping subtree containing T0136:G 42 (41) jump= -0.910752 0.111099 -0.395455 -0.0424597 -59.9289 -9.80275 -42.2799 # jumping subtree containing T0136:G 42 (41) jump= 0.947194 0.184669 0.256859 -0.0523809 -31.1921 12.8578 4.54212 # Removing break before 53 # generation 75: best score out of 40: T0136.try1-al4 60.5615 cost/residue, 162 clashes 0.0264216 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 362 ## TwoFragment 2 ## CrossOver 70 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 394 ## OptSubtree 1078 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 10 (9) jump= 0.985482 0.0725369 -0.0243669 0.151557 9.61357 10.2334 10.1697 # jumping subtree containing T0136:R 15 (14) jump= -0.935788 0.00836818 0.00981826 -0.352326 -72.1805 11.8592 -1.86925 # jumping subtree containing T0136:V 16 (15) jump= 0.48588 -0.319161 0.673918 0.455952 -145.889 -47.5499 -30.7662 # jumping subtree containing T0136:G 42 (41) jump= -0.967307 -0.200525 0.00535798 0.155173 15.5561 -10.7541 -4.83706 # jumping subtree containing T0136:A 1 (0) jump= -0.670926 -0.0305177 0.687268 -0.276749 -60.9179 25.4589 108.198 # jumping subtree containing T0136:G 42 (41) jump= 0.385895 -0.0885819 0.835333 0.381388 -165.832 -12.0319 19.8964 # jumping subtree containing T0136:L 54 (53) jump= -0.596714 -0.0172561 0.723226 -0.347245 -92.1789 21.2233 75.8705 # jumping subtree containing T0136:R 15 (14) jump= 0.453515 0.490402 -0.446113 -0.595662 -40.2732 -138.078 81.4758 # jumping subtree containing T0136:R 15 (14) jump= 0.884686 0.18719 -0.3006 -0.303201 -0.248806 -45.0166 60.4986 # jumping subtree containing T0136:A 78 (77) jump= -0.998478 0.00979007 0.053971 0.00569754 7.80623 -14.4322 27.9946 # jumping subtree containing T0136:G 42 (41) jump= 0.901716 0.349085 -0.0455523 -0.250942 19.4883 -49.1906 21.151 # generation 76: best score out of 40: T0136.try1-al4 60.5614 cost/residue, 162 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 362 ## TwoFragment 2 ## CrossOver 73 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 397 ## OptSubtree 1104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.451571 -0.25032 0.201453 -0.832371 -162.046 -43.6001 35.4115 # jumping subtree containing T0136:R 15 (14) jump= -0.621632 0.581561 0.425728 0.306784 14.649 -108.099 83.2426 # jumping subtree containing T0136:K 7 (6) jump= -0.983949 0.0294527 0.175485 0.0135171 25.8732 2.1316 21.8043 # jumping subtree containing T0136:A 78 (77) jump= -0.99872 -0.0115851 0.0492383 -0.000112624 -0.285547 -23.3119 -0.503622 # jumping subtree containing T0136:G 42 (41) jump= -0.949085 0.248093 -0.146079 0.127864 0.259403 -70.0333 -39.7937 # jumping subtree containing T0136:G 42 (41) jump= -0.993426 -0.112166 -0.0149833 -0.0172718 -2.02691 -22.3138 9.5464 # jumping subtree containing T0136:G 42 (41) jump= -0.855423 -0.312648 -0.315843 -0.265981 -38.6829 40.7136 43.4082 # generation 77: best score out of 40: T0136.try1-al4 60.5614 cost/residue, 162 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 362 ## TwoFragment 2 ## CrossOver 75 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 401 ## OptSubtree 1131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 53 # jumping subtree containing T0136:A 64 (63) jump= 0.0815499 0.763102 0.625085 0.142457 -3.45295 4.69948 67.179 # jumping subtree containing T0136:A 64 (63) jump= -0.975169 0.0635508 0.096521 -0.188918 -3.53375 16.9555 -19.004 # jumping subtree containing T0136:R 15 (14) jump= -0.764186 -0.554346 -0.327319 0.0397734 -17.1051 36.2091 15.4374 # jumping subtree containing T0136:L 54 (53) jump= 0.360703 0.835242 -0.391658 0.137361 -25.1813 -53.527 126.41 # jumping subtree containing T0136:A 64 (63) jump= -0.415702 -0.159051 0.184228 0.87633 -58.3896 -92.3837 18.1799 # generation 78: best score out of 40: T0136.try1-al4 60.5614 cost/residue, 162 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 362 ## TwoFragment 2 ## CrossOver 76 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 412 ## OptSubtree 1146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.86422 -0.152718 0.390788 0.277642 -76.3232 13.2413 -45.5147 # jumping subtree containing T0136:R 23 (22) jump= 0.977871 0.0524175 -0.0349475 0.199498 -0.294773 4.85406 18.2042 # jumping subtree containing T0136:Q 41 (40) jump= 0.639981 0.286798 0.389703 0.596911 -78.6672 12.4824 10.5124 # jumping subtree containing T0136:G 42 (41) jump= 0.263857 -0.65711 -0.651083 -0.27327 -24.1942 -2.88455 77.7794 # jumping subtree containing T0136:R 15 (14) jump= 0.309478 -0.000563597 0.939366 0.1477 -171.049 22.5894 16.5046 # jumping subtree containing T0136:G 42 (41) jump= -0.810033 -0.0853611 -0.45825 0.355761 -31.4752 -53.0781 -33.7954 # jumping subtree containing T0136:G 14 (13) jump= 0.908658 0.4081 -0.0651333 -0.0596056 21.2222 -1.04737 60.9826 # generation 79: best score out of 40: T0136.try1-al4 60.5614 cost/residue, 162 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 362 ## TwoFragment 2 ## CrossOver 80 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 412 ## OptSubtree 1166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.0160379 0.251605 0.58165 0.773383 -135.514 -72.769 67.1735 # jumping subtree containing T0136:R 23 (22) jump= 0.9876 0.0724392 -0.0717015 -0.119402 -2.17943 -15.2133 31.5676 # jumping subtree containing T0136:A 64 (63) jump= 0.893277 0.19453 -0.0929432 -0.394431 9.17098 -42.3726 23.2199 # Removing break before 53 # jumping subtree containing T0136:R 23 (22) jump= -0.331046 0.295682 -0.677774 -0.586176 -166.393 -65.5472 10.2108 # jumping subtree containing T0136:R 15 (14) jump= -0.108794 -0.757008 -0.630259 -0.133703 -65.1051 42.3294 77.6319 # jumping subtree containing T0136:G 42 (41) jump= -0.34219 -0.847985 0.0751052 0.397727 -17.9887 -84.3614 31.1938 # jumping subtree containing T0136:A 78 (77) jump= -0.970957 -0.105945 -0.181921 -0.113676 -11.1585 10.3745 -4.06361 # jumping subtree containing T0136:G 42 (41) jump= -0.729523 0.473322 -0.492849 0.0293587 -85.3257 -62.6327 -68.5247 # jumping subtree containing T0136:A 1 (0) jump= 0.887256 -0.148543 -0.106242 -0.423585 16.1256 -52.325 12.9825 # jumping subtree containing T0136:G 42 (41) jump= 0.142883 -0.943519 -0.104716 -0.279984 -32.9456 -86.7304 77.9856 # jumping subtree containing T0136:L 54 (53) jump= 0.175566 0.275049 0.608628 -0.723254 -81.2357 -29.4239 -34.9342 # generation 80: best score out of 40: T0136.try1-al4 60.2953 cost/residue, 163 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 363 ## TwoFragment 2 ## CrossOver 81 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 412 ## OptSubtree 1188 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= 0.25767 -0.694727 -0.200714 -0.640839 -28.651 -65.5998 84.3092 # jumping subtree containing T0136:L 54 (53) jump= -0.0605251 0.123482 0.402406 0.905074 -108.9 -91.3782 66.0595 # jumping subtree containing T0136:G 42 (41) jump= -0.993665 0.0999555 0.00954152 -0.050466 2.89868 1.39803 1.62818 # jumping subtree containing T0136:G 42 (41) jump= -0.984408 0.135113 -0.0367246 -0.10647 -10.5177 4.51511 4.03702 # generation 81: best score out of 40: T0136.try1-al4 60.2953 cost/residue, 163 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 365 ## TwoFragment 2 ## CrossOver 82 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 417 ## OptSubtree 1204 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 7 (6) jump= 0.134368 -0.126343 -0.0210027 0.98262 -123.979 -58.2975 -14.867 # Removing break before 53 # jumping subtree containing T0136:G 42 (41) jump= 0.739889 -0.472599 -0.120691 0.463302 -65.1223 2.146 -36.5862 # jumping subtree containing T0136:G 42 (41) jump= -0.98376 -0.143834 -0.0780924 0.0736853 -7.36298 -10.486 -20.2566 # jumping subtree containing T0136:K 67 (66) jump= -0.80401 0.491639 -0.261428 0.208601 -30.3679 -51.6163 -16.3547 # jumping subtree containing T0136:A 64 (63) jump= 0.235219 -0.334296 0.534519 -0.739735 -102.48 -27.6236 5.4553 # jumping subtree containing T0136:A 64 (63) jump= 0.196392 0.87106 -0.289081 -0.345134 -36.56 -141.538 36.9953 # jumping subtree containing T0136:V 35 (34) jump= 0.970347 -0.1101 -0.15896 0.145039 8.71928 1.83437 -9.36443 # jumping subtree containing T0136:R 23 (22) jump= -0.610551 -0.259203 0.00245328 0.748355 -2.27445 -97.5194 7.88098 # jumping subtree containing T0136:R 15 (14) jump= -0.988898 -0.057122 -0.112046 0.0791368 1.1095 7.48596 -4.04966 # generation 82: best score out of 40: T0136.try1-al4 60.2953 cost/residue, 163 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 365 ## TwoFragment 2 ## CrossOver 83 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 423 ## OptSubtree 1228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.970879 0.126838 0.107898 0.172235 19.0031 -46.0628 23.6289 # jumping subtree containing T0136:A 64 (63) jump= 0.85251 0.449641 -0.231833 0.13154 -20.9757 20.821 65.9755 # jumping subtree containing T0136:R 23 (22) jump= -0.999977 -0.00206171 0.00433157 -0.00475328 -3.38377 -3.33626 13.7357 # jumping subtree containing T0136:A 64 (63) jump= -0.486795 0.0691865 0.305719 0.81534 -59.1245 -89.5639 42.1101 # jumping subtree containing T0136:R 23 (22) jump= -0.368111 -0.849398 -0.313133 0.212051 3.10063 -9.47477 65.5655 # jumping subtree containing T0136:G 42 (41) jump= -0.330732 0.920359 -0.0644663 -0.198492 -4.56028 -89.4917 9.95204 # jumping subtree containing T0136:R 15 (14) jump= -0.921454 0.336198 -0.119897 0.153356 -5.87563 -48.8394 -9.47539 # jumping subtree containing T0136:G 42 (41) jump= 0.974663 -0.00817379 -0.209965 -0.0766881 -8.81764 9.01029 28.8859 # jumping subtree containing T0136:A 64 (63) jump= 0.93176 0.0637694 -0.0188634 0.356933 -12.0796 40.1905 3.47357 # generation 83: best score out of 40: T0136.try1-al4 60.2953 cost/residue, 163 clashes 0.0264218 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 365 ## TwoFragment 2 ## CrossOver 86 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 425 ## OptSubtree 1247 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 7 (6) jump= -0.967622 0.0371511 0.172883 -0.180106 8.7177 35.585 25.379 # jumping subtree containing T0136:G 42 (41) jump= 0.970921 -0.00502198 -0.0408924 0.235828 -30.9248 37.8457 10.884 # jumping subtree containing T0136:G 42 (41) jump= 0.30019 -0.382503 0.238787 0.84057 -111.428 -66.9156 -57.4701 # jumping subtree containing T0136:G 42 (41) jump= 0.974694 -0.123853 -0.150976 0.108803 10.8799 14.5393 -2.92695 # jumping subtree containing T0136:R 15 (14) jump= 0.0045599 0.139445 0.990173 -0.00953326 -86.7072 9.265 105.68 # jumping subtree containing T0136:N 5 (4) jump= -0.798264 -0.249799 -0.50843 -0.204633 -101.005 43.2304 -16.894 # jumping subtree containing T0136:T 45 (44) jump= -0.505656 0.727918 0.461004 -0.0438502 27.3854 -13.6478 53.7316 # jumping subtree containing T0136:G 42 (41) jump= -0.984218 0.0136642 0.061677 -0.1653 -13.3172 28.9249 -12.6881 # jumping subtree containing T0136:A 64 (63) jump= -0.954199 0.0736756 0.237197 -0.166775 -14.071 -2.9009 15.4419 # jumping subtree containing T0136:V 79 (78) jump= 0.976408 0.0484639 -0.209507 -0.0196163 21.3556 -12.5391 47.9056 # jumping subtree containing T0136:A 1 (0) jump= 0.313454 -0.112549 -0.921304 -0.200696 -93.8244 -16.8565 116.652 # jumping subtree containing T0136:A 64 (63) jump= -0.801667 0.18144 -0.07266 0.564915 -12.5783 -69.61 8.92174 # jumping subtree containing T0136:G 42 (41) jump= 0.37991 -0.15673 -0.115609 -0.904289 -94.6085 -137.304 37.4428 # jumping subtree containing T0136:G 42 (41) jump= 0.936141 -0.3331 0.111576 0.015324 -30.1496 -24.9876 -21.7737 # jumping subtree containing T0136:A 64 (63) jump= 0.572647 0.40594 0.235049 -0.672339 -14.3279 -40.9898 -40.0016 # jumping subtree containing T0136:G 42 (41) jump= 0.265099 -0.918361 -0.0708451 -0.285161 -23.1287 -101.409 60.7258 # generation 84: best score out of 40: T0136.try1-al4 60.2953 cost/residue, 163 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 365 ## TwoFragment 2 ## CrossOver 89 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 426 ## OptSubtree 1267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.0771471 -0.32561 0.722279 -0.60526 -146.824 3.69974 59.4196 # jumping subtree containing T0136:K 7 (6) jump= -0.934927 -0.202703 -0.285296 0.0585594 -50.6115 3.09169 -19.7192 # jumping subtree containing T0136:G 42 (41) jump= -0.870945 -0.0835637 0.138151 -0.464098 -45.3179 48.445 16.6892 # jumping subtree containing T0136:E 32 (31) jump= 0.327841 0.398666 -0.757629 -0.39948 -125.9 -87.4986 74.7331 # jumping subtree containing T0136:A 64 (63) jump= 0.9846 0.12546 0.121692 0.00362871 9.02156 19.1468 7.20463 # jumping subtree containing T0136:G 42 (41) jump= -0.964031 -0.219365 0.148085 0.0243566 -24.0596 4.67898 43.786 # jumping subtree containing T0136:G 42 (41) jump= -0.217137 0.256349 -0.721072 0.605963 -168.467 -44.7807 1.13883 # jumping subtree containing T0136:A 1 (0) jump= 0.979907 -0.0269029 -0.124087 -0.15382 22.2973 -1.09954 9.11006 # jumping subtree containing T0136:N 5 (4) jump= 0.170776 0.763911 0.613524 0.104231 -16.6498 40.308 91.4228 # generation 85: best score out of 40: T0136.try1-al4 60.2815 cost/residue, 176 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 366 ## TwoFragment 2 ## CrossOver 92 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 426 ## OptSubtree 1287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= 0.995861 0.0086045 -0.00860236 0.09007 -19.1144 8.6296 22.0097 # jumping subtree containing T0136:M 75 (74) jump= 0.999733 -0.0146568 -0.0143176 0.010709 -11.6698 -1.4218 6.77779 # jumping subtree containing T0136:G 42 (41) jump= 0.311412 -0.26098 -0.63171 0.660193 -77.9084 22.75 26.8958 # jumping subtree containing T0136:G 42 (41) jump= 0.257286 0.443106 -0.62768 -0.586071 -95.2953 -109.619 47.3563 # jumping subtree containing T0136:G 42 (41) jump= 0.464515 -0.244984 0.843308 -0.114191 -134.809 -34.9604 -57.8113 # generation 86: best score out of 40: T0136.try1-al4 60.2815 cost/residue, 176 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 366 ## TwoFragment 2 ## CrossOver 93 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 431 ## OptSubtree 1310 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.995249 0.0548704 -0.0388452 -0.0704225 -13.515 18.1844 -14.6787 # Removing break before 53 # jumping subtree containing T0136:G 42 (41) jump= 0.810481 -0.537623 0.211087 -0.0975852 -28.8736 -46.7645 -25.022 # jumping subtree containing T0136:R 23 (22) jump= -0.724298 -0.2835 -0.599189 0.189719 -39.0125 7.83552 -57.1554 # jumping subtree containing T0136:A 64 (63) jump= 0.980438 -0.0142587 0.0650115 0.185233 -20.1916 16.8601 22.0907 # jumping subtree containing T0136:K 37 (36) jump= 0.946024 -0.280265 0.0880287 0.1369 -17.2593 -12.9283 -42.3792 # jumping subtree containing T0136:K 7 (6) jump= 0.106287 0.0372421 -0.297666 -0.948004 -116.718 -90.3085 32.2249 # jumping subtree containing T0136:G 42 (41) jump= -0.910473 0.186848 0.363243 -0.0646612 -0.219251 -12.6641 48.2864 # jumping subtree containing T0136:G 42 (41) jump= 0.785691 -0.555581 0.162416 0.218264 -37.0385 -31.1685 -65.7697 # jumping subtree containing T0136:L 54 (53) jump= 0.504372 0.239344 0.692722 -0.456574 -75.5059 -13.6562 -36.3992 # jumping subtree containing T0136:R 69 (68) jump= 0.68495 0.154604 -0.691671 0.168917 -39.2884 -15.2702 85.5795 # generation 87: best score out of 40: T0136.try1-al4 60.2749 cost/residue, 176 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 367 ## TwoFragment 2 ## CrossOver 93 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 442 ## OptSubtree 1331 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= -0.698874 -0.245575 0.663809 0.10308 -4.99416 -19.067 84.6076 # jumping subtree containing T0136:A 64 (63) jump= -0.527657 -0.242689 0.737863 0.343857 -63.6592 -47.707 94.6252 # jumping subtree containing T0136:G 42 (41) jump= -0.134348 0.742222 -0.540354 -0.372926 -99.9087 -127.164 3.52081 # jumping subtree containing T0136:R 23 (22) jump= 0.165735 0.391254 -0.134527 -0.895184 -83.0527 -101.768 -15.4497 # jumping subtree containing T0136:G 42 (41) jump= 0.525835 -0.44099 0.0738281 0.723585 -78.7362 -40.6525 -25.4304 # jumping subtree containing T0136:R 69 (68) jump= 0.999402 -0.00443575 -0.024121 -0.0243556 -12.0185 6.4455 -21.6673 # jumping subtree containing T0136:A 1 (0) jump= 0.363008 -0.427456 -0.806176 -0.188644 -37.7377 -0.925337 133.471 # jumping subtree containing T0136:G 42 (41) jump= 0.998023 0.0186686 0.00730381 -0.0595701 15.3064 -31.7096 8.02808 # jumping subtree containing T0136:A 64 (63) jump= 0.342001 -0.18249 0.236769 -0.890884 -63.2707 -70.4733 -0.828227 # jumping subtree containing T0136:A 64 (63) jump= -0.995286 -0.0493216 0.0583508 -0.0597337 -20.7231 10.6965 9.45127 # jumping subtree containing T0136:R 23 (22) jump= 0.307453 0.606996 0.731854 -0.0376683 -55.5077 32.1099 51.2748 # jumping subtree containing T0136:R 49 (48) jump= 0.330032 0.275362 0.649344 0.627381 -146.055 20.7899 34.4518 # generation 88: best score out of 40: T0136.try1-al4 60.2749 cost/residue, 176 clashes 0.0264216 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 367 ## TwoFragment 2 ## CrossOver 95 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 445 ## OptSubtree 1357 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.217106 0.594566 0.639997 0.435614 -93.7062 18.0558 74.2187 # jumping subtree containing T0136:G 42 (41) jump= 0.919719 0.369479 -0.0853785 -0.101557 24.5871 -18.6951 35.7519 # jumping subtree containing T0136:A 64 (63) jump= -0.999575 -0.012554 0.00462719 -0.0258913 1.50514 -17.5865 18.188 # jumping subtree containing T0136:R 23 (22) jump= -0.413153 -0.32633 -0.510095 0.680159 -75.3157 -39.8948 -66.4045 # jumping subtree containing T0136:R 23 (22) jump= 0.972011 0.0659287 0.121787 -0.189776 -16.7096 -25.156 -14.6296 # jumping subtree containing T0136:A 1 (0) jump= -0.98205 -0.106632 0.141597 0.0644737 14.9091 22.1006 35.3141 # jumping subtree containing T0136:A 78 (77) jump= 0.648458 -0.192501 -0.667647 0.310955 -39.6861 35.9176 27.8431 # jumping subtree containing T0136:A 64 (63) jump= 0.996465 -0.0534639 0.0340605 0.0551235 -4.80433 0.263788 -32.5678 # jumping subtree containing T0136:R 69 (68) jump= 0.860943 -0.406192 0.108405 0.286416 -16.8332 -18.6121 -39.909 # jumping subtree containing T0136:A 64 (63) jump= 0.641694 -0.0173611 -0.26573 0.719247 -67.9399 32.4839 11.4984 # jumping subtree containing T0136:G 42 (41) jump= 0.484062 0.79939 -0.151253 -0.322152 3.38092 -81.2902 59.3845 # jumping subtree containing T0136:L 54 (53) jump= 0.941761 -0.273538 -0.175584 0.0862202 -14.8189 12.5521 8.72396 # jumping subtree containing T0136:A 64 (63) jump= 0.239326 -0.311339 0.713833 -0.579856 -123.368 -48.4598 14.4974 # generation 89: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264217 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 96 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 451 ## OptSubtree 1378 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.331085 0.437336 0.819722 -0.164854 -19.8427 17.4225 68.384 # jumping subtree containing T0136:A 1 (0) jump= -0.993817 -0.0671047 -0.0218603 0.0857158 -5.14247 5.32182 2.86773 # jumping subtree containing T0136:M 12 (11) jump= -0.975646 -0.0521972 -0.15683 0.144206 -3.99066 -25.4324 -0.487774 # jumping subtree containing T0136:A 64 (63) jump= 0.933885 -0.3171 -0.154406 0.0588733 8.53361 -13.8784 -16.6355 # jumping subtree containing T0136:K 77 (76) jump= -0.421413 -0.404658 0.357086 0.728802 -48.9189 -92.6504 45.5322 # Removing break before 53 # jumping subtree containing T0136:G 42 (41) jump= -0.878912 -0.445564 -0.138734 -0.0986822 -26.0158 31.2022 39.2468 # jumping subtree containing T0136:A 64 (63) jump= -0.67751 -0.0819098 0.327225 -0.653602 -97.2453 46.5582 22.8384 # jumping subtree containing T0136:R 23 (22) jump= 0.999697 -0.0158304 0.00433824 -0.0183555 13.833 10.1753 -12.6002 # jumping subtree containing T0136:A 64 (63) jump= -0.655495 0.271171 0.704496 0.0218379 -36.2824 19.6227 72.2825 # generation 90: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264219 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 96 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 457 ## OptSubtree 1407 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.309058 -0.785322 0.524376 -0.113056 -88.9783 -94.3324 44.8589 # jumping subtree containing T0136:K 77 (76) jump= -0.0224254 -0.671166 0.707649 -0.219696 -83.6526 -84.322 48.2423 # jumping subtree containing T0136:R 23 (22) jump= -0.62622 0.716022 -0.287642 0.111458 -24.91 -130.608 -31.1611 # jumping subtree containing T0136:A 64 (63) jump= -0.614951 -0.591903 -0.311703 -0.417526 -68.8956 19.0118 81.0715 # jumping subtree containing T0136:G 42 (41) jump= -0.315766 -0.300361 0.115197 -0.892639 -157.271 -52.2874 26.8258 # jumping subtree containing T0136:A 1 (0) jump= -0.999057 -0.0289439 -0.0104858 0.0306243 -2.58959 7.64735 -7.89027 # jumping subtree containing T0136:L 54 (53) jump= -0.70598 -0.272975 -0.358547 -0.546371 -109.603 54.798 35.4333 # jumping subtree containing T0136:L 72 (71) jump= 0.126044 -0.127397 0.391371 0.902614 -120.177 -64.9318 -8.24658 # jumping subtree containing T0136:A 64 (63) jump= -0.954035 -0.139475 0.238857 0.115372 12.5128 -12.0195 21.471 # jumping subtree containing T0136:L 72 (71) jump= 0.431097 -0.171759 0.0241654 -0.885478 -66.0475 -80.6782 3.06019 # generation 91: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264212 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 97 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 463 ## OptSubtree 1434 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.702747 -0.57228 -0.421926 0.0248993 26.5827 -2.72573 25.6542 # jumping subtree containing T0136:A 1 (0) jump= 0.391407 0.5468 0.370795 0.640563 -99.7035 20.5543 106.417 # jumping subtree containing T0136:S 40 (39) jump= -0.972229 -0.230929 0.0370123 0.00845953 -20.5873 16.3346 24.6531 # jumping subtree containing T0136:L 54 (53) jump= -0.0307376 -0.529109 0.809626 0.252199 -100.643 -82.6682 67.3635 # generation 92: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 99 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 467 ## OptSubtree 1455 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.747363 -0.0348364 -0.38235 0.542258 -98.2855 22.3088 8.58642 # jumping subtree containing T0136:L 72 (71) jump= -0.352335 -0.463822 -0.810862 -0.0568461 -92.6539 39.2133 18.1728 # jumping subtree containing T0136:L 72 (71) jump= 0.348112 -0.592912 0.582998 -0.432882 -90.0936 -90.1389 3.68675 # jumping subtree containing T0136:E 32 (31) jump= 0.320023 -0.818119 -0.0917823 0.468875 -9.21565 -31.9261 -18.5019 # jumping subtree containing T0136:L 72 (71) jump= 0.317464 -0.908666 -0.265417 0.0556436 21.2274 -60.4409 22.0062 # jumping subtree containing T0136:L 72 (71) jump= 0.729818 0.354005 0.262203 0.522777 -55.0854 34.2027 10.6967 # jumping subtree containing T0136:G 42 (41) jump= -0.165818 0.699875 0.179839 -0.671071 -57.483 -65.3873 -61.3916 # jumping subtree containing T0136:G 42 (41) jump= -0.672756 -0.611472 -0.344132 0.234679 0.357185 -12.1048 -9.53573 # jumping subtree containing T0136:A 64 (63) jump= -0.382473 0.847616 0.358413 -0.0824701 16.0108 -5.55787 56.2137 # jumping subtree containing T0136:L 72 (71) jump= 0.382958 0.316494 -0.0645427 0.865453 -120.989 -10.7253 44.5448 # jumping subtree containing T0136:A 64 (63) jump= -0.658035 -0.61349 -0.179303 0.398083 24.3978 -22.1961 31.4689 # jumping subtree containing T0136:A 64 (63) jump= -0.738194 0.549001 0.156245 -0.359519 -20.38 -15.5765 7.36638 # generation 93: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 99 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1483 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.787963 0.432601 0.310232 -0.309398 -16.7157 16.5042 -5.34184 # jumping subtree containing T0136:A 64 (63) jump= 0.999999 0.000867158 0.000113149 0.00115892 -12.8698 11.5318 -11.6295 # jumping subtree containing T0136:A 64 (63) jump= 0.951986 -0.1236 0.170543 0.222174 -45.8888 12.6122 -8.20268 # jumping subtree containing T0136:A 64 (63) jump= -0.00567398 0.969629 -0.243539 -0.0218405 -16.9081 -117.859 55.4998 # jumping subtree containing T0136:S 40 (39) jump= -0.0768917 -0.888925 -0.0512187 0.448638 14.1174 -91.2648 17.7082 # jumping subtree containing T0136:R 15 (14) jump= -0.986073 0.0529215 0.157146 0.0128542 21.6012 -17.1633 31.2527 # jumping subtree containing T0136:A 1 (0) jump= 0.9569 0.161007 0.211237 0.117463 -14.3376 14.3946 -21.8186 # jumping subtree containing T0136:G 42 (41) jump= 0.833764 -0.0768725 -0.37388 0.398927 -51.2065 15.2379 5.83311 # jumping subtree containing T0136:R 23 (22) jump= -0.917583 0.236195 -0.110962 0.299901 1.03948 -59.0585 -3.04552 # jumping subtree containing T0136:L 72 (71) jump= 0.690806 0.569465 -0.425431 0.13231 -16.5326 -17.575 82.5064 # Removing break before 53 # jumping subtree containing T0136:L 72 (71) jump= 0.889245 -0.154675 0.287637 -0.320287 -13.5525 -19.3362 -24.2761 # jumping subtree containing T0136:A 64 (63) jump= -0.673071 0.318262 0.667065 0.0266408 -45.5583 17.9198 89.7714 # generation 94: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 102 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1504 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.750356 0.236853 0.00775207 -0.617095 -5.43051 -78.6318 9.84097 # jumping subtree containing T0136:A 64 (63) jump= 0.343181 0.211423 0.776947 -0.483611 -98.5572 28.1522 -45.761 # jumping subtree containing T0136:L 54 (53) jump= 0.494194 0.463008 0.657376 0.330535 -110.316 63.5718 64.8816 # jumping subtree containing T0136:G 42 (41) jump= 0.43478 -0.167782 -0.495288 0.733147 -87.521 27.3368 -9.50347 # jumping subtree containing T0136:R 15 (14) jump= 0.181465 -0.140824 0.0400233 -0.972439 -120.45 -109.669 29.1057 # jumping subtree containing T0136:A 64 (63) jump= -0.227137 -0.514021 -0.653782 -0.506715 -118.61 26.1329 90.0372 # jumping subtree containing T0136:L 72 (71) jump= -0.438183 0.888289 -0.136769 -0.0152491 -3.7743 -98.1133 -29.5188 # jumping subtree containing T0136:G 42 (41) jump= -0.989109 0.113849 -0.0543115 -0.075842 -30.2483 9.83851 -28.0035 # jumping subtree containing T0136:A 64 (63) jump= -0.86742 0.303653 -0.0860196 0.384678 -28.9006 -58.6893 8.36887 # jumping subtree containing T0136:L 72 (71) jump= 0.210137 0.680421 0.674371 -0.195174 -33.6331 24.5683 -0.00610733 # jumping subtree containing T0136:R 15 (14) jump= -0.98855 -0.133664 -0.0456084 -0.0531363 -35.6026 12.4253 17.9137 # jumping subtree containing T0136:R 23 (22) jump= -0.885707 -0.0899415 -0.374983 0.2585 -12.6203 -16.6761 -32.4506 # jumping subtree containing T0136:G 42 (41) jump= 0.999943 0.00699719 -0.00496944 0.00639405 4.9952 -15.0855 24.8447 # generation 95: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 104 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1526 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.992619 -0.049203 0.0619624 -0.0919126 4.68352 -11.3607 14.6787 # jumping subtree containing T0136:G 42 (41) jump= -0.602263 0.554865 -0.555002 0.146211 -100.081 -97.0159 -44.8269 # jumping subtree containing T0136:L 72 (71) jump= -0.571459 -0.124484 -0.698894 -0.411687 -83.0549 38.0079 9.32414 # jumping subtree containing T0136:L 54 (53) jump= 0.626225 -0.152267 0.456149 0.613665 -137.598 -23.3271 -39.776 # jumping subtree containing T0136:A 64 (63) jump= 0.593328 0.654517 -0.169612 -0.436808 5.62153 -52.9354 29.3797 # jumping subtree containing T0136:R 15 (14) jump= 0.191884 0.0501374 0.558973 -0.805119 -94.7237 -65.464 -32.9876 # jumping subtree containing T0136:L 72 (71) jump= -0.587425 -0.0305607 -0.559129 0.584271 -88.3849 -38.36 -45.3641 # jumping subtree containing T0136:A 64 (63) jump= 0.250225 0.3698 -0.678757 -0.583031 -82.31 -97.2546 57.2708 # jumping subtree containing T0136:A 1 (0) jump= -0.198711 -0.00502697 0.39767 0.895739 -140.828 -127.65 47.8559 # jumping subtree containing T0136:V 79 (78) jump= 0.857464 0.142789 0.476741 0.130708 -43.8079 34.7009 -31.3803 # jumping subtree containing T0136:R 23 (22) jump= -0.463643 0.149413 0.308168 0.817155 -46.516 -125.119 83.953 # jumping subtree containing T0136:A 64 (63) jump= -0.836815 0.358094 -0.337734 0.239677 -56.3964 -54.5714 -35.1147 # jumping subtree containing T0136:A 64 (63) jump= -0.0182261 -0.414486 -0.141896 0.898741 -86.6276 -52.5039 -44.3529 # jumping subtree containing T0136:A 64 (63) jump= 0.449315 0.130499 -0.0105968 0.883727 -132.575 19.1211 17.2699 # jumping subtree containing T0136:A 64 (63) jump= -0.338442 0.876018 -0.0823297 -0.333573 -2.3777 -77.0227 -20.8819 # jumping subtree containing T0136:A 1 (0) jump= 0.996132 -0.0293465 -0.0313087 0.0766819 -3.28035 -15.8529 -0.919032 # jumping subtree containing T0136:A 64 (63) jump= -0.950818 0.244797 -0.103881 0.158835 10.0395 -42.9852 -23.0044 # jumping subtree containing T0136:R 23 (22) jump= -0.625752 -0.227534 -0.0182283 0.745876 -13.3213 -100.467 -23.0543 # jumping subtree containing T0136:G 42 (41) jump= 0.999977 -0.000109874 -0.00672794 -0.000988399 8.33617 -1.90441 -17.6303 # jumping subtree containing T0136:R 23 (22) jump= -0.567787 0.688701 -0.154357 -0.423654 -55.1356 -93.3396 -33.0408 # jumping subtree containing T0136:G 42 (41) jump= 0.996154 -0.0101991 -0.0623123 0.0607543 -7.62375 31.1115 10.4955 # jumping subtree containing T0136:R 23 (22) jump= 0.852915 0.237753 0.452914 0.104303 -71.2505 30.5344 4.24334 # generation 96: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 108 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1546 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= 0.993749 -0.0825846 0.0222979 -0.0717345 2.91815 -15.9826 11.8109 # jumping subtree containing T0136:E 17 (16) jump= 0.693218 -0.364354 -0.322406 -0.531742 1.79284 -100.609 78.978 # jumping subtree containing T0136:G 42 (41) jump= 0.0845429 0.505074 0.846283 -0.146826 -38.5961 4.97823 12.8237 # jumping subtree containing T0136:G 42 (41) jump= 0.83383 -0.305296 -0.20965 0.409353 -24.5547 15.7481 -8.47735 # jumping subtree containing T0136:G 42 (41) jump= 0.974103 -0.0188696 -0.0429208 -0.22119 2.49135 -20.9914 15.8804 # generation 97: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 113 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= 0.952722 0.112757 -0.118096 0.256242 -25.3546 8.42377 25.9399 # jumping subtree containing T0136:G 42 (41) jump= -0.886253 0.344055 -0.291131 -0.106882 -57.8466 -52.8197 -41.9326 # jumping subtree containing T0136:R 15 (14) jump= -0.902332 -0.205684 -0.228286 0.302286 -17.4903 -37.8336 -21.7411 # jumping subtree containing T0136:L 72 (71) jump= 0.982254 0.168263 -0.0807683 0.0184764 -8.77463 -5.92085 27.738 # jumping subtree containing T0136:A 64 (63) jump= 0.109624 0.165346 0.932532 0.301707 -126.45 -16.6427 46.2789 # jumping subtree containing T0136:A 1 (0) jump= 0.760018 0.381418 0.178713 0.494929 -93.5331 25.6715 68.5853 # jumping subtree containing T0136:A 64 (63) jump= 0.261634 -0.160856 -0.946002 -0.103699 -122.216 -3.09226 93.7937 # jumping subtree containing T0136:A 64 (63) jump= -0.587643 0.415556 -0.268932 0.64005 -78.8599 -106.084 -19.1752 # jumping subtree containing T0136:R 23 (22) jump= 0.942145 0.187032 0.172645 0.218118 -35.6137 33.3485 -20.3739 # jumping subtree containing T0136:A 64 (63) jump= 0.622574 0.660153 0.203535 0.367659 -23.2044 41.8205 74.6185 # Removing break before 53 # jumping subtree containing T0136:R 15 (14) jump= -0.982034 -0.163033 -0.0321841 0.0894051 3.76973 1.29642 2.51405 # jumping subtree containing T0136:A 64 (63) jump= -0.170142 0.280566 0.941736 0.0739372 -106.164 51.7193 72.4588 # jumping subtree containing T0136:A 1 (0) jump= -0.162473 0.359022 0.309998 -0.865221 -95.8168 -19.281 -65.3206 # generation 98: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 116 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1586 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.839168 -0.0730415 0.151349 0.517258 -77.2231 55.6245 -21.7821 # jumping subtree containing T0136:A 64 (63) jump= 0.997712 -0.0675719 6.23639e-05 0.00205246 -21.3276 -6.97738 7.45832 # jumping subtree containing T0136:A 64 (63) jump= -0.6304 -0.580188 0.431472 0.282507 3.96239 -73.8853 76.5022 # jumping subtree containing T0136:A 64 (63) jump= -0.0397472 -0.122874 0.989201 -0.0693048 -130.023 -12.6005 62.761 # jumping subtree containing T0136:R 15 (14) jump= 0.297614 -0.591559 0.514361 0.5449 -120.017 -134.767 -13.1361 # jumping subtree containing T0136:A 64 (63) jump= 0.993701 -0.0358767 0.0782695 0.0717264 -13.7166 30.0244 4.26383 # jumping subtree containing T0136:A 64 (63) jump= 0.794274 -0.539573 0.273422 0.0568297 -29.3148 -71.1021 -32.6153 # jumping subtree containing T0136:G 42 (41) jump= -0.994682 0.0649439 -0.0641003 0.0477681 -9.25836 0.383694 -39.6481 # jumping subtree containing T0136:A 64 (63) jump= -0.442952 -0.0328739 -0.791144 0.420481 -129.61 -9.43197 -30.8603 # jumping subtree containing T0136:A 64 (63) jump= 0.749978 0.323504 0.3857 0.429085 -52.1697 40.6126 4.04898 # Removing break before 53 # generation 99: best score out of 40: T0136.try1-al4 60.1976 cost/residue, 165 clashes 0.0264215 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 368 ## TwoFragment 2 ## CrossOver 120 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1606 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= -0.980853 -0.0238781 0.151433 0.120106 28.7887 -24.7681 4.84495 # jumping subtree containing T0136:G 42 (41) jump= 0.608923 0.356371 -0.340578 0.621465 -132.453 -2.83434 46.6225 # jumping subtree containing T0136:A 64 (63) jump= -0.991116 0.118305 0.0262319 -0.054809 -3.47268 15.2203 -0.036535 # jumping subtree containing T0136:R 15 (14) jump= 0.683651 -0.230135 -0.691759 0.0336049 -4.55048 -18.8862 77.4562 # jumping subtree containing T0136:A 64 (63) jump= 0.896799 -0.195982 -0.292693 -0.26772 7.64549 -61.0895 28.4462 # jumping subtree containing T0136:A 1 (0) jump= -0.786828 -0.396582 0.377999 0.284149 19.5342 -56.2935 94.0228 # jumping subtree containing T0136:A 64 (63) jump= -0.485692 -0.248123 -0.811525 -0.209679 -112.069 29.9647 -1.58386 # jumping subtree containing T0136:R 66 (65) jump= -0.999872 -0.000209156 -0.013156 -0.0090889 7.18509 -11.0945 -13.3571 # jumping subtree containing T0136:A 64 (63) jump= -0.355575 0.873078 -0.306761 -0.131144 -35.2428 -76.1727 -30.1772 # jumping subtree containing T0136:G 42 (41) jump= -0.518356 0.42231 0.639166 0.380035 -10.1681 -40.0994 101.679 # jumping subtree containing T0136:R 23 (22) jump= 0.0976719 -0.459607 0.078394 0.879247 -110.354 -91.8173 -46.3917 # jumping subtree containing T0136:L 54 (53) jump= 0.931263 -0.299643 -0.0217792 -0.206128 19.4593 -48.3688 20.4522 # jumping subtree containing T0136:R 15 (14) jump= 0.983323 -0.0265797 0.0880295 0.156905 -45.8657 0.647938 -27.0957 # generation 100: best score out of 40: T0136.try1-al4 60.0778 cost/residue, 164 clashes 0.0326823 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 369 ## TwoFragment 2 ## CrossOver 125 ## CrossAndInsert 26 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 468 ## OptSubtree 1624 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1710432020.pdb -s /projects/compbio/tmp/to_scwrl_1710432020.seq -o /projects/compbio/tmp/from_scwrl_1710432020.pdb -a /projects/compbio/tmp/from_scwrl_1710432020_a.pdb -b /projects/compbio/tmp/from_scwrl_1710432020_b.pdb > /projects/compbio/tmp/scwrl_1710432020.log # T0136.try1-al4-scwrl 60.4648 cost/residue 164 clashes 0.0326823 breaks # iteration 4 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 71.9732 cost/residue, 104 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 15 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 1 ## 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 70.2257 cost/residue, 125 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 22 ## InsertFragment 25 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10 69.5825 cost/residue, 95 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 34 ## InsertFragment 42 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10 69.0606 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 54 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10 67.1559 cost/residue, 121 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 66 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.701028 -0.688949 -0.184118 0.00317734 -1.35181 8.57244 4.51364 # generation 6: best score out of 40: T0136.try1-al10 67.1559 cost/residue, 121 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 55 ## InsertFragment 83 ## TwoFragment 2 ## CrossOver 2 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10 67.1559 cost/residue, 121 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 59 ## InsertFragment 96 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10 67.0814 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 64 ## InsertFragment 110 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 13 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 49 # generation 9: best score out of 40: T0136.try1-al10 65.8066 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 65 ## InsertFragment 127 ## TwoFragment 2 ## CrossOver 5 ## CrossAndInsert 15 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.518342 0.414384 0.312161 0.679826 -15.6774 6.10568 35.4707 # generation 10: best score out of 40: T0136.try1-al10 65.8066 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 71 ## InsertFragment 138 ## TwoFragment 2 ## CrossOver 6 ## CrossAndInsert 15 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10 65.8066 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 156 ## TwoFragment 2 ## CrossOver 7 ## CrossAndInsert 15 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 2 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10 65.8066 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 75 ## InsertFragment 168 ## TwoFragment 2 ## CrossOver 9 ## CrossAndInsert 17 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10 65.4961 cost/residue, 112 clashes 0.0150325 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 77 ## InsertFragment 184 ## TwoFragment 2 ## CrossOver 10 ## CrossAndInsert 18 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # generation 14: best score out of 40: T0136.try1-al10 65.4961 cost/residue, 112 clashes 0.0150325 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 78 ## InsertFragment 202 ## TwoFragment 3 ## CrossOver 10 ## CrossAndInsert 19 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 8 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= -0.982768 0.178523 -0.0371796 0.0302467 -0.684764 -18.3989 -28.5377 # generation 15: best score out of 40: T0136.try1-al10 65.4961 cost/residue, 112 clashes 0.0150325 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 80 ## InsertFragment 213 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 19 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # generation 16: best score out of 40: T0136.try1-al10 65.3356 cost/residue, 112 clashes 0.0150325 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 224 ## TwoFragment 3 ## CrossOver 14 ## CrossAndInsert 20 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 12 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # generation 17: best score out of 40: T0136.try1-al10 64.8945 cost/residue, 110 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 237 ## TwoFragment 4 ## CrossOver 17 ## CrossAndInsert 20 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 13 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # generation 18: best score out of 40: T0136.try1-al10 64.8945 cost/residue, 110 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 253 ## TwoFragment 5 ## CrossOver 18 ## CrossAndInsert 21 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 15 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # Removing break before 28 # Removing break before 31 # generation 19: best score out of 40: T0136.try1-al10 64.8945 cost/residue, 110 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 265 ## TwoFragment 5 ## CrossOver 21 ## CrossAndInsert 23 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 17 ## OptSubtree 38 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1-al10 64.7223 cost/residue, 130 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 275 ## TwoFragment 5 ## CrossOver 23 ## CrossAndInsert 24 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 18 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # jumping subtree containing T0136:A 1 (0) jump= -0.810753 0.510568 0.236574 -0.161348 19.2028 -26.162 7.89349 # generation 21: best score out of 40: T0136.try1-al10 64.215 cost/residue, 129 clashes 0.0103612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 285 ## TwoFragment 5 ## CrossOver 25 ## CrossAndInsert 25 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 21 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:K 77 (76) jump= 0.305151 0.0489015 0.097219 0.946066 -40.4318 16.0571 -14.4648 # generation 22: best score out of 40: T0136.try1-al10 64.215 cost/residue, 129 clashes 0.0103612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 296 ## TwoFragment 5 ## CrossOver 28 ## CrossAndInsert 25 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 23 ## OptSubtree 61 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.174438 -0.0425117 -0.598152 -0.781011 -41.2829 -24.6096 34.8708 # jumping subtree containing T0136:A 1 (0) jump= 0.863464 0.286606 0.251976 -0.329842 -16.5298 15.6181 9.31151 # generation 23: best score out of 40: T0136.try1-al10 64.215 cost/residue, 129 clashes 0.0103612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 302 ## TwoFragment 5 ## CrossOver 30 ## CrossAndInsert 26 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 25 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.704771 -0.614103 -0.135579 0.328319 14.2567 14.6661 28.5981 # generation 24: best score out of 40: T0136.try1-al10 64.215 cost/residue, 129 clashes 0.0103612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 306 ## TwoFragment 5 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 30 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # Removing break before 39 # jumping subtree containing T0136:E 36 (35) jump= -0.810924 -0.521167 -0.148809 -0.22055 -48.7666 47.4857 49.572 # Removing break before 35 # generation 25: best score out of 40: T0136.try1-al10 64.1178 cost/residue, 117 clashes 0.0103612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 308 ## TwoFragment 5 ## CrossOver 34 ## CrossAndInsert 26 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 35 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:A 1 (0) jump= 0.0792456 -0.415949 0.891249 -0.162425 -7.65455 31.5477 71.5939 # generation 26: best score out of 40: T0136.try1-al10 64.1178 cost/residue, 117 clashes 0.0103613 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 309 ## TwoFragment 5 ## CrossOver 35 ## CrossAndInsert 26 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 37 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # generation 27: best score out of 40: T0136.try1-al10 64.0666 cost/residue, 144 clashes 0.0103614 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 310 ## TwoFragment 5 ## CrossOver 37 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 41 ## OptSubtree 135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:A 1 (0) jump= 0.427692 -0.707254 -0.321479 -0.462085 -35.5124 -47.3692 92.0362 # generation 28: best score out of 40: T0136.try1-al10 64.0665 cost/residue, 144 clashes 0.0103613 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 310 ## TwoFragment 5 ## CrossOver 38 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 45 ## OptSubtree 154 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.156894 0.718262 0.450741 -0.506277 24.0374 30.5431 30.8237 # generation 29: best score out of 40: T0136.try1-al10 63.6584 cost/residue, 132 clashes 0.0103615 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 312 ## TwoFragment 5 ## CrossOver 38 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 51 ## OptSubtree 170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:V 25 (24) jump= -0.98701 0.145779 -0.0501213 0.0452412 13.0829 -8.23782 -0.818331 # jumping subtree containing T0136:A 1 (0) jump= -0.209462 0.466231 -0.66793 0.540947 -105.27 23.0171 105.404 # generation 30: best score out of 40: T0136.try1-al10 63.6584 cost/residue, 132 clashes 0.0103615 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 312 ## TwoFragment 5 ## CrossOver 41 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 55 ## OptSubtree 188 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 47 (46) jump= -0.296003 -0.576387 -0.621536 -0.440289 -69.2321 20.8557 67.7471 # jumping subtree containing T0136:E 36 (35) jump= 0.876412 0.212889 0.408781 0.139566 -65.5143 27.4703 11.1535 # jumping subtree containing T0136:V 25 (24) jump= -0.940742 0.148408 -0.061934 -0.298569 6.23481 15.824 -7.87234 # Removing break before 35 # jumping subtree containing T0136:A 1 (0) jump= -0.854591 0.362049 -0.325832 0.180079 -47.8309 -59.2525 2.47985 # generation 31: best score out of 40: T0136.try1-al10 63.6584 cost/residue, 132 clashes 0.0103615 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 315 ## TwoFragment 5 ## CrossOver 43 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 62 ## OptSubtree 203 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:V 25 (24) jump= -0.87934 0.373195 0.0629249 0.289011 -17.7496 -37.4486 28.3065 # generation 32: best score out of 40: T0136.try1-al10 63.4996 cost/residue, 127 clashes 0.0103614 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 317 ## TwoFragment 5 ## CrossOver 45 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 71 ## OptSubtree 214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.678864 -0.64235 0.346335 -0.0811314 8.19761 59.8222 75.1987 # Removing break before 35 # jumping subtree containing T0136:V 25 (24) jump= 0.975113 0.103278 0.187445 -0.0579029 1.54714 -5.2886 -15.9193 # jumping subtree containing T0136:T 45 (44) jump= -0.983613 -0.124319 -0.0998805 -0.0841129 -6.20598 -0.0679264 13.3353 # generation 33: best score out of 40: T0136.try1-al10 63.4996 cost/residue, 127 clashes 0.0103614 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 318 ## TwoFragment 5 ## CrossOver 47 ## CrossAndInsert 27 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 73 ## OptSubtree 232 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # generation 34: best score out of 40: T0136.try1-al10 63.3434 cost/residue, 125 clashes 0.0103615 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 318 ## TwoFragment 5 ## CrossOver 49 ## CrossAndInsert 28 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 80 ## OptSubtree 250 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 11 (10) jump= 0.826354 0.44752 0.327598 -0.0976988 -35.479 11.2244 -0.118985 # Removing break before 35 # generation 35: best score out of 40: T0136.try1-al10 63.3434 cost/residue, 125 clashes 0.0103615 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 318 ## TwoFragment 5 ## CrossOver 51 ## CrossAndInsert 28 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 87 ## OptSubtree 265 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 57 (56) jump= -0.642057 0.520829 -0.302266 0.474484 -74.5296 -72.9441 29.4176 # jumping subtree containing T0136:V 25 (24) jump= -0.195257 0.131034 0.874033 -0.425172 -26.4323 68.6796 92.8857 # jumping subtree containing T0136:F 65 (64) jump= 0.992093 0.046528 0.116199 -0.00913837 -11.6207 7.24554 25.8703 # jumping subtree containing T0136:N 5 (4) jump= 0.985047 0.148221 0.0817991 0.0319708 -5.21365 7.68701 -4.65233 # Removing break before 35 # jumping subtree containing T0136:R 66 (65) jump= -0.997848 -0.0504619 0.0191985 0.0372118 20.9894 -0.305454 7.25076 # Removing break before 35 # generation 36: best score out of 40: T0136.try1-al10 63.3434 cost/residue, 125 clashes 0.0103615 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 320 ## TwoFragment 5 ## CrossOver 52 ## CrossAndInsert 28 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 91 ## OptSubtree 282 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # Removing break before 35 # Removing break before 35 # jumping subtree containing T0136:V 25 (24) jump= -0.0310384 -0.272017 -0.879485 0.389292 -30.606 26.0531 80.4346 # jumping subtree containing T0136:T 45 (44) jump= 0.815493 -0.205943 0.41847 0.342697 -57.1717 -63.0146 17.5458 # jumping subtree containing T0136:V 25 (24) jump= 0.680639 -0.623868 -0.0562056 0.379948 24.4096 -46.3713 26.9008 # jumping subtree containing T0136:E 36 (35) jump= -0.690543 -0.246969 -0.0113216 -0.679727 -57.7823 35.812 25.6434 # generation 37: best score out of 40: T0136.try1-al10 63.3434 cost/residue, 125 clashes 0.0103614 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 320 ## TwoFragment 5 ## CrossOver 55 ## CrossAndInsert 28 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 98 ## OptSubtree 298 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.815823 -0.361959 -0.116764 -0.435643 -16.3272 -96.0908 27.3001 # jumping subtree containing T0136:A 1 (0) jump= 0.00126461 0.833389 0.49256 -0.25069 21.051 28.577 139.088 # jumping subtree containing T0136:G 42 (41) jump= 0.316456 0.207344 0.21796 -0.899643 -30.48 -27.1636 3.00838 # generation 38: best score out of 40: T0136.try1-al10 63.299 cost/residue, 120 clashes 0.0103613 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 321 ## TwoFragment 5 ## CrossOver 59 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 102 ## OptSubtree 312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= 0.854922 -0.197061 -0.281096 -0.388922 14.4011 -63.6845 43.0073 # jumping subtree containing T0136:E 13 (12) jump= 0.146396 0.953679 0.252961 -0.0712383 17.6487 -25.1853 129.307 # jumping subtree containing T0136:E 36 (35) jump= -0.528342 -0.244733 -0.198877 0.788294 -26.655 29.6702 16.0477 # Removing break before 35 # jumping subtree containing T0136:E 36 (35) jump= 0.348855 -0.0504758 -0.856396 -0.377277 -28.3488 -62.632 98.1205 # Removing break before 35 # generation 39: best score out of 40: T0136.try1-al10 63.2989 cost/residue, 120 clashes 0.0103613 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 321 ## TwoFragment 5 ## CrossOver 61 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 107 ## OptSubtree 329 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:V 62 (61) jump= -0.914895 0.180407 0.297996 -0.204007 36.9676 3.32726 12.3548 # Removing break before 35 # jumping subtree containing T0136:G 42 (41) jump= -0.416093 -0.882468 -0.214673 0.0450842 17.5031 44.4273 103.359 # jumping subtree containing T0136:E 36 (35) jump= 0.989153 -0.118579 -0.0722629 0.0478834 -2.8394 11.1295 7.85335 # generation 40: best score out of 40: T0136.try1-al10 63.2604 cost/residue, 121 clashes 0.0103613 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 322 ## TwoFragment 5 ## CrossOver 65 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 115 ## OptSubtree 344 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= -0.973817 -0.122944 -0.187718 0.0364374 -30.8697 35.5479 -3.17263 # jumping subtree containing T0136:G 74 (73) jump= -0.635826 -0.600082 0.404981 0.267613 44.3491 9.33273 76.3995 # jumping subtree containing T0136:A 1 (0) jump= 0.999997 1.03025e-05 -0.00120154 -0.00213083 -23.5055 5.97838 4.86832 # jumping subtree containing T0136:G 42 (41) jump= -0.901551 -0.188714 0.357038 0.155294 59.9468 15.0795 37.0351 # jumping subtree containing T0136:S 58 (57) jump= 0.828966 -0.424089 -0.34456 -0.119339 8.74665 -48.3351 33.852 # jumping subtree containing T0136:G 42 (41) jump= -0.0141523 0.2996 -0.0759437 0.950932 -110.424 -12.697 49.8624 # generation 41: best score out of 40: T0136.try1-al10 63.2604 cost/residue, 121 clashes 0.0103613 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 322 ## TwoFragment 5 ## CrossOver 66 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 120 ## OptSubtree 367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.465761 -0.679429 0.474875 0.309738 -60.4894 -85.6731 60.1287 # jumping subtree containing T0136:V 25 (24) jump= 0.902499 0.366325 -0.162765 -0.157511 8.90573 22.801 16.9355 # Removing break before 35 # jumping subtree containing T0136:G 42 (41) jump= -0.989804 -0.123466 0.0592969 0.0390995 15.7929 20.052 18.8742 # Removing break before 35 # jumping subtree containing T0136:G 42 (41) jump= 0.965512 -0.194733 0.102253 -0.139323 9.41803 -40.9286 -18.5916 # jumping subtree containing T0136:V 25 (24) jump= -0.191818 0.378451 -0.439329 0.791815 -89.4332 20.6486 38.9104 # jumping subtree containing T0136:F 73 (72) jump= 0.317184 0.312781 -0.317533 -0.837099 33.5973 -62.1921 31.7282 # jumping subtree containing T0136:E 61 (60) jump= 0.620233 -0.0566395 -0.580555 -0.524461 44.2262 -78.3118 58.0743 # jumping subtree containing T0136:V 25 (24) jump= 0.997948 -0.0632714 -0.00606723 0.00772226 4.28332 -7.5332 -21.7326 # jumping subtree containing T0136:K 77 (76) jump= -0.619253 0.412591 -0.518776 0.420911 -109.134 -35.592 74.4621 # jumping subtree containing T0136:V 25 (24) jump= 0.495872 0.559338 0.634413 0.196907 -65.6506 28.8148 100.737 # jumping subtree containing T0136:A 1 (0) jump= 0.742373 -0.483953 0.005911 0.463289 11.0313 -67.7974 13.1338 # generation 42: best score out of 40: T0136.try1-al10 63.2604 cost/residue, 121 clashes 0.0103613 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 323 ## TwoFragment 5 ## CrossOver 67 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 129 ## OptSubtree 383 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.597385 0.246495 0.757004 -0.0965206 21.0274 30.1782 154.622 # jumping subtree containing T0136:V 25 (24) jump= -0.161766 -0.902365 0.279191 -0.285693 -22.6439 62.3643 125.812 # jumping subtree containing T0136:V 25 (24) jump= 0.999491 -0.0177099 -0.0265359 0.000655483 -20.0001 -6.09027 9.21223 # jumping subtree containing T0136:V 25 (24) jump= 0.994735 -0.0685742 0.00322487 -0.0760941 -18.4713 -13.8926 -4.79334 # jumping subtree containing T0136:V 25 (24) jump= -0.768127 -0.60324 -0.190854 0.0982756 -2.22293 50.6641 35.5689 # jumping subtree containing T0136:K 77 (76) jump= 0.928738 0.0159555 0.0410754 -0.368108 -31.8464 -32.2571 -14.0409 # generation 43: best score out of 40: T0136.try1-al10 63.2604 cost/residue, 121 clashes 0.0103611 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 323 ## TwoFragment 5 ## CrossOver 69 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 138 ## OptSubtree 398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= -0.95414 -0.297247 -0.00920984 -0.034308 -18.67 45.9124 -5.3176 # generation 44: best score out of 40: T0136.try1-al10 63.2604 cost/residue, 121 clashes 0.0103611 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 323 ## TwoFragment 5 ## CrossOver 73 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 140 ## OptSubtree 416 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.998649 0.0186356 0.035003 -0.0335706 -8.39226 24.4458 2.68784 # jumping subtree containing T0136:V 25 (24) jump= -0.366767 0.543697 0.116135 0.745915 -77.2812 -73.8848 77.1223 # jumping subtree containing T0136:L 8 (7) jump= 0.99996 0.0025794 0.0077143 -0.00380403 18.209 5.91506 15.9348 # Removing break before 35 # Removing break before 35 # jumping subtree containing T0136:V 25 (24) jump= -0.683 -0.0801762 0.712594 0.138899 69.6358 -15.4296 110.827 # generation 45: best score out of 40: T0136.try1-al10 63.2604 cost/residue, 121 clashes 0.0103611 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 323 ## TwoFragment 5 ## CrossOver 76 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 145 ## OptSubtree 432 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.965666 -0.164745 -0.200846 -0.00297084 25.6263 -32.334 42.4235 # jumping subtree containing T0136:A 1 (0) jump= 0.0270215 0.160057 0.800229 -0.577308 -62.3767 66.3159 103.917 # jumping subtree containing T0136:K 67 (66) jump= 0.9996 0.00199874 0.00836442 -0.02694 -28.9903 -11.0834 7.05761 # Removing break before 35 # generation 46: best score out of 40: T0136.try1-al10 63.2604 cost/residue, 121 clashes 0.0103611 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 323 ## TwoFragment 5 ## CrossOver 79 ## CrossAndInsert 28 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 146 ## OptSubtree 452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.602948 -0.259841 -0.730751 0.186923 53.686 31.0299 131.213 # jumping subtree containing T0136:A 1 (0) jump= -0.46433 -0.168863 0.289266 0.819883 11.9301 -46.4478 33.0206 # jumping subtree containing T0136:G 42 (41) jump= -0.0400837 0.886664 -0.0698233 -0.455351 33.2054 -61.3017 92.321 # jumping subtree containing T0136:V 25 (24) jump= 0.573335 0.73821 -0.139076 -0.327093 50.3398 8.91334 65.8499 # jumping subtree containing T0136:G 42 (41) jump= -0.550177 0.132323 -0.444652 -0.69432 -82.3365 -35.7162 22.607 # jumping subtree containing T0136:K 67 (66) jump= 0.795626 -0.564182 -0.0663566 0.210413 26.0015 -58.9846 52.3153 # jumping subtree containing T0136:V 25 (24) jump= 0.825884 -0.402188 0.368794 -0.141952 -30.2465 -49.9989 12.8214 # generation 47: best score out of 40: T0136.try1-al10 62.3613 cost/residue, 126 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 323 ## TwoFragment 5 ## CrossOver 84 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 149 ## OptSubtree 467 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= -0.277242 -0.945458 -0.115715 0.125918 19.9983 50.823 135.178 # jumping subtree containing T0136:G 63 (62) jump= -0.0763878 0.14482 0.778348 -0.606108 -47.4205 80.5654 67.4324 # jumping subtree containing T0136:K 67 (66) jump= 0.995875 0.0771552 0.0289569 0.0379749 21.983 23.4547 6.10473 # jumping subtree containing T0136:K 67 (66) jump= 0.910563 -0.145256 0.0163829 -0.386662 -9.29214 -20.9832 13.0133 # jumping subtree containing T0136:K 67 (66) jump= 0.0141351 0.493826 -0.350282 -0.795763 -0.519111 -28.1956 10.0907 # jumping subtree containing T0136:G 42 (41) jump= 0.964478 0.0518538 -0.22446 -0.129275 51.6375 -15.1211 35.4145 # Removing break before 35 # Removing break before 35 # generation 48: best score out of 40: T0136.try1-al10 62.3613 cost/residue, 126 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 326 ## TwoFragment 5 ## CrossOver 92 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 151 ## OptSubtree 478 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:K 67 (66) jump= 0.0277658 -0.738105 -0.655857 -0.155827 -79.1234 34.983 144.169 # jumping subtree containing T0136:V 25 (24) jump= -0.99746 0.0189863 -0.0105378 -0.0678456 0.568543 -6.18798 7.63111 # jumping subtree containing T0136:E 36 (35) jump= -0.164538 0.280878 -0.945017 -0.0312558 -77.727 -10.868 119.776 # jumping subtree containing T0136:K 67 (66) jump= 0.4002 0.364904 -0.521259 0.659526 -64.2644 79.7033 110.435 # generation 49: best score out of 40: T0136.try1-al10 62.3613 cost/residue, 126 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 330 ## TwoFragment 5 ## CrossOver 95 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 159 ## OptSubtree 496 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.457144 0.198731 0.524337 0.690359 -86.263 -29.6829 50.2818 # Removing break before 35 # jumping subtree containing T0136:K 67 (66) jump= -0.131082 0.930631 0.0472202 0.338398 -83.1609 -33.2201 177.154 # jumping subtree containing T0136:K 67 (66) jump= 0.298324 -0.442606 -0.239829 0.810916 23.934 28.9511 11.4291 # jumping subtree containing T0136:V 25 (24) jump= -0.952762 -0.285458 0.0985007 0.0324843 34.6686 31.8113 6.03525 # jumping subtree containing T0136:V 25 (24) jump= 0.869493 0.398505 0.161007 -0.243417 -24.0935 23.6604 -7.61301 # jumping subtree containing T0136:V 25 (24) jump= 0.909202 0.10495 0.28551 0.28429 -37.122 36.8509 -12.8179 # generation 50: best score out of 40: T0136.try1-al10 62.2904 cost/residue, 117 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 5 ## CrossOver 97 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 162 ## OptSubtree 515 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.240764 0.417187 -0.873259 0.0735264 -13.3864 12.318 138.742 # jumping subtree containing T0136:T 71 (70) jump= 0.389508 0.245342 -0.778111 0.427357 -13.6639 59.3 126.873 # Removing break before 35 # jumping subtree containing T0136:K 67 (66) jump= -0.999883 -0.00202613 -0.0129239 0.0079417 -6.22422 -8.09273 23.5617 # jumping subtree containing T0136:V 25 (24) jump= 0.344149 -0.0974367 -0.0464607 -0.932689 -57.2284 -0.951299 29.0083 # Removing break before 35 # generation 51: best score out of 40: T0136.try1-al10 62.2904 cost/residue, 117 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 332 ## TwoFragment 5 ## CrossOver 101 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 165 ## OptSubtree 531 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.0298331 0.351581 0.527865 0.772567 -103.391 -58.4202 63.9988 # jumping subtree containing T0136:K 67 (66) jump= -1 -0.000531456 0.000464744 0.000431995 -0.0944095 15.7646 16.7185 # jumping subtree containing T0136:A 1 (0) jump= -0.770226 0.202219 0.357894 -0.487619 33.4226 30.9317 26.3141 # jumping subtree containing T0136:A 1 (0) jump= -0.958235 -0.0985932 0.0730423 0.25832 29.1288 -15.3632 23.928 # jumping subtree containing T0136:K 67 (66) jump= 0.969837 -0.0956398 0.224168 -0.00425535 -39.7365 -16.9385 -28.6633 # jumping subtree containing T0136:A 1 (0) jump= -0.985509 0.0533991 -0.112595 0.115074 -27.9539 -3.03492 16.5172 # generation 52: best score out of 40: T0136.try1-al10 62.0717 cost/residue, 99 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 333 ## TwoFragment 5 ## CrossOver 103 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 172 ## OptSubtree 551 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.712193 -0.22351 0.350663 -0.565562 -94.3482 -38.0739 37.3166 # Removing break before 35 # jumping subtree containing T0136:G 42 (41) jump= 0.936996 0.290008 0.18156 0.0704999 -23.3985 49.1232 15.9206 # jumping subtree containing T0136:G 63 (62) jump= -0.88527 0.0493992 0.0318386 0.46135 -10.3371 -53.451 13.7431 # generation 53: best score out of 40: T0136.try1-al10 62.0717 cost/residue, 99 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 107 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 177 ## OptSubtree 566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= 0.0911626 -0.236107 0.960801 0.113159 -84.9969 -36.5063 124.229 # jumping subtree containing T0136:K 67 (66) jump= 0.779713 -0.0409234 -0.621307 -0.0659662 26.1049 -9.60478 91.9261 # jumping subtree containing T0136:K 67 (66) jump= -0.216435 0.956759 -0.103761 -0.164324 7.7245 -2.86428 186.894 # jumping subtree containing T0136:K 67 (66) jump= 0.173252 -0.517206 -0.538447 0.642306 -1.82147 78.8739 80.0573 # jumping subtree containing T0136:G 63 (62) jump= 0.12299 -0.344822 0.570799 0.734956 -19.9687 -49.6027 10.4202 # jumping subtree containing T0136:V 25 (24) jump= -0.958392 0.129928 0.0739178 -0.243188 -8.69786 5.08119 4.38705 # jumping subtree containing T0136:S 58 (57) jump= -0.0470785 0.511698 0.748868 0.418505 -88.2733 -18.7538 132.123 # Removing break before 35 # generation 54: best score out of 40: T0136.try1-al10 62.0682 cost/residue, 97 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 109 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 180 ## OptSubtree 591 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 58 (57) jump= 0.162399 0.045848 -0.946406 0.275393 -56.6811 32.1724 148.562 # Removing break before 35 # jumping subtree containing T0136:G 63 (62) jump= 0.679547 0.674778 -0.198195 -0.208828 30.707 36.4611 80.2771 # jumping subtree containing T0136:G 42 (41) jump= 0.566808 0.710674 -0.384309 -0.161176 25.4466 -12.518 133.368 # generation 55: best score out of 40: T0136.try1-al10 62.0682 cost/residue, 97 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 5 ## CrossOver 109 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 186 ## OptSubtree 609 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= -0.0648308 -0.371148 -0.676793 -0.632453 -72.2084 -61.3383 71.3459 # jumping subtree containing T0136:G 31 (30) jump= 0.063052 0.862865 -0.217647 -0.451795 35.5338 -9.92648 64.7669 # jumping subtree containing T0136:N 51 (50) jump= -0.877812 -0.340477 0.198027 -0.272593 -0.709618 65.7571 56.146 # jumping subtree containing T0136:K 67 (66) jump= 0.977101 0.0865156 0.192153 0.0294197 -23.4024 20.5306 9.39011 # jumping subtree containing T0136:A 1 (0) jump= -0.965243 -0.135236 0.185557 0.124842 37.0145 -0.264134 33.1636 # jumping subtree containing T0136:K 67 (66) jump= -0.8497 0.415405 -0.255569 0.200334 -34.0776 -51.5795 25.3686 # jumping subtree containing T0136:S 58 (57) jump= 0.981453 -0.139069 0.107032 0.0771636 -27.286 -13.3927 10.0315 # Removing break before 35 # generation 56: best score out of 40: T0136.try1-al10 62.0211 cost/residue, 139 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 337 ## TwoFragment 5 ## CrossOver 112 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 188 ## OptSubtree 629 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.608612 -0.455841 0.609633 0.223936 33.0982 -31.9965 94.6563 # jumping subtree containing T0136:Q 24 (23) jump= 0.998666 -0.0213965 0.0235801 0.0406533 -2.57328 -9.22164 -16.3917 # generation 57: best score out of 40: T0136.try1-al10 61.8477 cost/residue, 98 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 5 ## CrossOver 113 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 195 ## OptSubtree 644 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.355997 0.277832 -0.890883 0.0490217 -18.9557 16.5053 130.703 # jumping subtree containing T0136:L 72 (71) jump= -0.620599 0.18938 0.704186 0.288295 29.7725 -56.8717 139.019 # jumping subtree containing T0136:G 42 (41) jump= -0.999625 -0.000419743 -0.0190967 0.0196033 -10.4284 -8.47508 -14.7033 # jumping subtree containing T0136:A 78 (77) jump= -0.999922 -0.00867529 0.000689052 -0.00891946 23.1099 5.56921 15.0852 # jumping subtree containing T0136:R 69 (68) jump= 0.220146 0.184951 -0.956508 0.0492078 -28.0633 -20.5633 154.753 # jumping subtree containing T0136:K 67 (66) jump= 0.395272 0.0127767 -0.150829 0.906006 -53.2467 75.5609 16.0153 # jumping subtree containing T0136:H 57 (56) jump= -0.97716 -0.0332122 -0.111256 0.177983 -17.9111 -27.5603 -20.0408 # jumping subtree containing T0136:K 67 (66) jump= -0.0532451 -0.00038405 0.996977 -0.0565777 -60.0713 22.0958 147.662 # generation 58: best score out of 40: T0136.try1-al10 61.8477 cost/residue, 98 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 5 ## CrossOver 115 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 201 ## OptSubtree 668 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.949439 -0.118013 -0.0373676 -0.288519 1.52259 -40.5642 9.85461 # jumping subtree containing T0136:A 78 (77) jump= -0.38957 0.491988 -0.486747 0.607668 -109.815 -3.22901 53.8505 # jumping subtree containing T0136:A 64 (63) jump= 0.598711 0.562052 0.385298 0.420938 -90.6433 69.6813 70.3626 # jumping subtree containing T0136:A 78 (77) jump= -0.510348 -0.0987828 0.778142 -0.352536 -28.8407 25.9839 125.002 # jumping subtree containing T0136:G 63 (62) jump= 0.572075 -0.611971 -0.293291 0.460654 19.4384 13.8387 46.7727 # jumping subtree containing T0136:V 25 (24) jump= -0.485435 -0.0903951 0.439403 0.750404 -5.4674 -63.1271 15.8122 # jumping subtree containing T0136:A 78 (77) jump= -0.818986 -0.0286149 0.32072 0.474955 -8.48241 -52.1691 45.3365 # jumping subtree containing T0136:A 78 (77) jump= 0.990526 -0.0799387 -0.111642 0.00179407 10.8097 -16.5112 22.6911 # jumping subtree containing T0136:G 63 (62) jump= 0.419451 -0.0583889 0.343689 0.83817 -92.5205 -46.6426 16.9477 # generation 59: best score out of 40: T0136.try1-al10 61.8476 cost/residue, 98 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 5 ## CrossOver 116 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 210 ## OptSubtree 690 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.288251 0.347154 -0.586504 0.672613 -115.978 12.8441 49.4016 # jumping subtree containing T0136:A 78 (77) jump= -0.538215 -0.0282107 0.836334 0.10037 9.82319 -20.1608 154.971 # jumping subtree containing T0136:V 35 (34) jump= 0.547744 -0.0681031 -0.056233 -0.831971 -52.7493 -117.541 11.245 # jumping subtree containing T0136:A 78 (77) jump= 0.976091 -0.169372 0.128062 -0.0464637 2.30437 -10.0947 -19.9537 # jumping subtree containing T0136:G 42 (41) jump= -0.798496 0.462123 0.279017 0.26645 9.77371 -93.9928 46.626 # generation 60: best score out of 40: T0136.try1-al10 61.8283 cost/residue, 97 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 339 ## TwoFragment 5 ## CrossOver 119 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 214 ## OptSubtree 706 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.00452556 -0.286084 0.319845 0.903236 -42.2491 -89.9442 12.5792 # jumping subtree containing T0136:A 1 (0) jump= 0.413982 -0.0299408 0.131141 0.900291 -65.1225 -0.123775 -2.36376 # jumping subtree containing T0136:F 65 (64) jump= 0.575779 0.247977 -0.0179239 0.778887 -103.8 92.3514 25.9304 # jumping subtree containing T0136:A 1 (0) jump= 0.163256 0.252665 -0.641947 0.705274 -112.57 27.1982 68.3434 # jumping subtree containing T0136:K 67 (66) jump= 0.999998 -0.00145266 -0.000871027 0.00112556 1.78937 12.5694 22.3601 # jumping subtree containing T0136:A 1 (0) jump= -0.927797 -0.257542 -0.212609 0.166319 -41.0718 31.0771 9.75778 # jumping subtree containing T0136:V 35 (34) jump= 0.700455 -0.707906 -0.00481872 -0.0906009 -17.1938 -102.802 81.6558 # generation 61: best score out of 40: T0136.try1-al10 61.8263 cost/residue, 99 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 120 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 216 ## OptSubtree 730 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.973519 0.159451 -0.0486354 -0.156431 2.88068 -27.3932 -0.910556 # jumping subtree containing T0136:A 1 (0) jump= 0.964492 0.26341 0.016358 0.0101115 7.00549 27.0079 -3.12299 # jumping subtree containing T0136:E 36 (35) jump= -0.834301 0.0231377 -0.479707 -0.270718 -91.0478 -6.54333 4.90143 # jumping subtree containing T0136:G 63 (62) jump= -0.749243 0.428663 0.189927 0.467772 -22.6957 -99.9279 68.6104 # generation 62: best score out of 40: T0136.try1-al10 61.8263 cost/residue, 99 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 126 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 220 ## OptSubtree 751 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.783348 -0.534647 0.235903 -0.211822 -28.1857 21.3736 100.492 # jumping subtree containing T0136:G 42 (41) jump= 0.986092 0.0498669 -0.0727983 0.140843 -5.31817 45.2826 10.6419 # jumping subtree containing T0136:G 42 (41) jump= 0.240512 -0.879262 0.407477 -0.0548995 -67.5689 -84.3392 91.8797 # jumping subtree containing T0136:V 25 (24) jump= 0.905078 0.230248 -0.0133298 -0.357269 8.52303 26.2955 -0.34855 # jumping subtree containing T0136:V 35 (34) jump= -0.710342 -0.0400525 -0.0160121 0.702534 -0.209073 -38.8819 -18.1551 # jumping subtree containing T0136:A 78 (77) jump= -0.852486 0.41208 -0.282027 -0.154658 -28.6239 -78.1416 -15.0072 # jumping subtree containing T0136:V 35 (34) jump= -0.241628 -0.241004 0.422073 0.839873 -49.2156 -151.36 53.4604 # jumping subtree containing T0136:A 78 (77) jump= -0.651207 0.506935 0.363398 0.432305 12.3962 -85.6502 57.9596 # jumping subtree containing T0136:V 25 (24) jump= -0.829468 -0.149511 0.039804 0.536699 14.635 -3.99974 11.738 # jumping subtree containing T0136:A 1 (0) jump= -0.641106 0.396815 0.650259 -0.093187 17.755 0.837075 65.9949 # generation 63: best score out of 40: T0136.try1-al10 61.8069 cost/residue, 98 clashes 0.0175005 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 127 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 224 ## OptSubtree 777 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.965507 0.0505261 -0.254807 0.017772 -35.1741 -15.0871 1.89376 # jumping subtree containing T0136:A 78 (77) jump= -0.999894 0.00398029 0.0123583 -0.00658888 2.6338 -20.6349 -12.109 # jumping subtree containing T0136:A 78 (77) jump= 0.564535 -0.509876 0.270107 0.590228 -32.2678 -38.2473 -11.2285 # jumping subtree containing T0136:A 78 (77) jump= 0.0934254 0.245577 -0.952224 -0.15567 -82.092 -33.2603 119.152 # generation 64: best score out of 40: T0136.try1-al10 61.8069 cost/residue, 98 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 131 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 227 ## OptSubtree 796 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= 0.921382 0.32366 0.205849 0.0626583 -30.2346 25.1068 46.0347 # jumping subtree containing T0136:A 78 (77) jump= -0.737448 -0.573012 0.348456 0.0800391 25.8373 13.2991 96.6136 # jumping subtree containing T0136:A 78 (77) jump= -0.997 0.047038 0.0442244 0.0426948 -10.0968 10.4734 -12.1217 # jumping subtree containing T0136:V 35 (34) jump= 0.446008 0.28031 -0.526303 -0.667464 -0.541038 -79.0499 82.6138 # jumping subtree containing T0136:V 16 (15) jump= -0.596046 -0.562603 0.510328 0.260332 34.8398 -3.49994 130.165 # generation 65: best score out of 40: T0136.try1-al10 61.8069 cost/residue, 98 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 135 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 229 ## OptSubtree 820 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 13 (12) jump= 0.951146 0.13826 0.146561 -0.233933 7.13687 -21.3199 16.1775 # jumping subtree containing T0136:A 9 (8) jump= -0.964361 -0.166186 -0.201598 0.0418199 -18.1442 8.95722 -23.8135 # jumping subtree containing T0136:A 78 (77) jump= 0.986702 -0.153958 0.0322941 -0.040902 7.836 -1.62203 6.87369 # jumping subtree containing T0136:K 67 (66) jump= -0.996888 0.0295114 -0.0354994 -0.0639011 -11.463 15.098 -30.0649 # generation 66: best score out of 40: T0136.try1-al10 61.8069 cost/residue, 98 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 140 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 230 ## OptSubtree 838 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.732939 -0.48591 0.475976 0.011728 -82.6074 -59.6184 5.94893 # jumping subtree containing T0136:A 78 (77) jump= -0.818397 0.560187 0.0561455 0.115171 -15.0709 -94.4536 21.1827 # jumping subtree containing T0136:A 78 (77) jump= 0.601265 0.234214 -0.72285 -0.247208 3.91276 -60.0755 121.932 # jumping subtree containing T0136:A 78 (77) jump= 0.344012 0.353461 -0.857642 -0.145504 -35.8387 -57.1123 135.477 # jumping subtree containing T0136:A 78 (77) jump= 0.202333 0.922177 -0.0792388 0.319957 -76.06 -10.7056 145.582 # jumping subtree containing T0136:V 35 (34) jump= -0.762593 0.566536 0.221035 -0.220528 51.4884 -47.5805 47.0587 # jumping subtree containing T0136:K 67 (66) jump= 0.201525 0.0683241 0.402644 0.890279 -154.534 -58.7981 32.036 # jumping subtree containing T0136:A 78 (77) jump= 0.27246 -0.915366 0.295993 0.0161012 -41.6844 -79.1191 120.313 # generation 67: best score out of 40: T0136.try1-al10 61.7441 cost/residue, 92 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 340 ## TwoFragment 5 ## CrossOver 142 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 231 ## OptSubtree 858 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= 0.57068 0.463231 0.668579 0.112889 -132.375 56.4757 34.1869 # jumping subtree containing T0136:G 42 (41) jump= 0.999123 -0.00887289 -0.0186895 -0.0364113 11.9985 2.69092 -17.1515 # jumping subtree containing T0136:K 67 (66) jump= -0.419475 -0.03108 -0.253641 -0.871057 -119.472 -16.9341 5.64464 # jumping subtree containing T0136:A 78 (77) jump= 0.723674 0.417113 -0.485821 0.25747 -10.5895 34.5713 113.849 # jumping subtree containing T0136:A 78 (77) jump= -0.770797 -0.61592 0.161202 0.022987 27.8201 51.8494 57.8815 # jumping subtree containing T0136:E 13 (12) jump= -0.0566393 -0.31066 -0.205017 0.926418 -33.0404 -60.562 -22.4192 # jumping subtree containing T0136:V 35 (34) jump= 0.974311 0.0985832 -0.182846 -0.0869854 11.7333 -7.84464 41.6297 # generation 68: best score out of 40: T0136.try1-al10 61.7441 cost/residue, 92 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 146 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 231 ## OptSubtree 878 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.579317 0.755039 -0.146736 0.269772 -44.3935 -134.07 70.3701 # jumping subtree containing T0136:A 78 (77) jump= -0.267996 0.280359 -0.838369 -0.383034 -130.063 -56.0822 81.6094 # jumping subtree containing T0136:A 1 (0) jump= -0.269597 0.565836 0.63052 -0.457812 19.2065 27.4852 55.216 # jumping subtree containing T0136:V 35 (34) jump= -0.650421 0.287041 -0.64472 -0.280884 -111.98 -41.4917 34.3123 # jumping subtree containing T0136:N 5 (4) jump= -0.917125 0.210257 -0.316248 -0.121081 -38.2136 -21.6603 -32.2796 # jumping subtree containing T0136:A 78 (77) jump= 0.03731 -0.305302 -0.279917 -0.90942 -138.954 -65.8565 67.8514 # jumping subtree containing T0136:A 78 (77) jump= 0.842759 0.140775 -0.517887 0.0416268 31.9074 19.8688 124.869 # jumping subtree containing T0136:A 78 (77) jump= -0.641514 -0.335654 0.658571 -0.205136 -5.51362 44.5603 120.857 # generation 69: best score out of 40: T0136.try1-al10 61.7441 cost/residue, 92 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 146 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 232 ## OptSubtree 911 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.939778 -0.115051 0.0823861 -0.311115 -7.30641 41.8034 -6.86542 # jumping subtree containing T0136:A 78 (77) jump= 0.89426 0.325997 -0.112006 0.285447 -18.6526 51.5513 34.6486 # jumping subtree containing T0136:G 63 (62) jump= 0.252475 0.695933 -0.561889 0.369073 -98.0674 29.2337 164.975 # jumping subtree containing T0136:G 42 (41) jump= -0.488669 -0.70747 -0.041374 -0.508899 -69.5691 11.3993 86.2677 # jumping subtree containing T0136:A 78 (77) jump= -0.085086 -0.375923 -0.705218 0.595071 -70.4257 61.5706 42.3829 # generation 70: best score out of 40: T0136.try1-al10 61.7441 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 149 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 232 ## OptSubtree 932 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.865103 0.482962 -0.105611 0.0847994 -19.3427 -94.5871 -7.02289 # jumping subtree containing T0136:A 78 (77) jump= -0.518792 0.673622 -0.522722 -0.0620521 -63.7713 -85.9068 26.8359 # jumping subtree containing T0136:N 5 (4) jump= -0.790193 -0.261499 -0.391965 -0.391888 -85.9938 39.2237 27.744 # jumping subtree containing T0136:F 59 (58) jump= -0.973682 0.119982 -0.116344 -0.154957 -28.4032 -0.244897 -1.86333 # jumping subtree containing T0136:V 35 (34) jump= -0.337416 -0.75197 -0.35457 -0.441557 -86.4748 9.51764 100.232 # jumping subtree containing T0136:G 30 (29) jump= -0.677439 0.217624 -0.636836 -0.296911 -106.802 -66.7644 7.7132 # jumping subtree containing T0136:Q 41 (40) jump= -0.372643 -0.269664 0.414575 -0.785205 -70.0831 67.3078 38.2476 # jumping subtree containing T0136:G 42 (41) jump= 0.086411 0.169611 0.0882764 -0.977739 -40.2572 -1.11576 -1.67809 # jumping subtree containing T0136:A 78 (77) jump= 0.993646 -0.0211225 0.00318592 0.110509 -32.0143 5.59183 3.76387 # jumping subtree containing T0136:E 36 (35) jump= -0.189426 -0.340202 -0.269453 0.880781 -5.4966 8.33399 -18.2772 # generation 71: best score out of 40: T0136.try1-al10 61.7441 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 153 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 232 ## OptSubtree 952 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.634798 -0.102946 0.114153 -0.757233 -79.2679 -58.7619 -0.778737 # jumping subtree containing T0136:A 78 (77) jump= 0.585628 0.555422 -0.495761 0.320574 -43.5754 14.6566 121.044 # jumping subtree containing T0136:A 78 (77) jump= 0.4586 0.807618 -0.307354 0.2073 -46.7694 16.0094 134.641 # jumping subtree containing T0136:A 78 (77) jump= 0.616759 0.530774 -0.504647 -0.288477 21.1271 -13.8924 117.667 # jumping subtree containing T0136:A 78 (77) jump= -0.812414 -0.0285859 0.454421 -0.364236 -23.0334 47.1281 88.4711 # jumping subtree containing T0136:A 1 (0) jump= -0.307699 -0.778317 0.244774 0.48952 -4.99111 -63.2506 68.6628 # generation 72: best score out of 40: T0136.try1-al10 61.744 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 341 ## TwoFragment 5 ## CrossOver 156 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 232 ## OptSubtree 973 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= 0.770298 -0.0211919 -0.634638 0.0585412 48.2958 16.6039 138.849 # jumping subtree containing T0136:G 42 (41) jump= 0.975601 -0.000581837 0.216496 -0.0364891 -51.7864 -24.2142 -8.80527 # jumping subtree containing T0136:V 35 (34) jump= 0.98961 0.0816223 0.100328 0.0628052 -24.0869 35.8532 -12.3522 # jumping subtree containing T0136:A 78 (77) jump= -0.807867 0.210979 -0.534662 0.130289 -135.258 -60.9149 -16.0812 # jumping subtree containing T0136:G 42 (41) jump= 0.0777558 0.10334 0.572119 0.80991 -190.14 -90.1822 87.2357 # generation 73: best score out of 40: T0136.try1-al10 61.6574 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 342 ## TwoFragment 5 ## CrossOver 157 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 233 ## OptSubtree 997 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.341156 -0.129373 -0.595132 0.716025 -72.2706 95.3646 47.2621 # jumping subtree containing T0136:A 78 (77) jump= -0.999695 -0.0241896 0.00215213 -0.00456286 -18.8062 -7.74071 -15.9108 # jumping subtree containing T0136:A 78 (77) jump= 0.996373 -0.052488 -0.0343749 0.0574827 -9.70641 16.6279 21.4055 # jumping subtree containing T0136:D 55 (54) jump= -0.550399 -0.788159 0.212975 -0.174664 -21.1833 61.3717 128.148 # generation 74: best score out of 40: T0136.try1-al10 61.6574 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 342 ## TwoFragment 5 ## CrossOver 159 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 237 ## OptSubtree 1018 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.133807 0.442285 -0.621806 -0.632327 -60.4167 -159.813 109.442 # jumping subtree containing T0136:V 35 (34) jump= 0.526104 -0.437362 0.727751 0.0480281 -178.582 -92.0648 -9.73899 # jumping subtree containing T0136:G 63 (62) jump= 0.341584 0.425953 0.763093 0.345793 -121.735 34.5272 142.777 # jumping subtree containing T0136:A 78 (77) jump= -0.973491 0.122223 0.185929 0.0529894 37.1825 -33.1743 23.4813 # jumping subtree containing T0136:K 67 (66) jump= -0.612953 -0.437862 0.193547 0.628574 42.6611 -61.998 27.9783 # jumping subtree containing T0136:E 36 (35) jump= -0.603511 0.0786799 -0.466493 -0.641847 -151.926 -0.606894 15.854 # jumping subtree containing T0136:A 78 (77) jump= -0.014896 0.679227 0.565819 0.467201 -92.4905 -15.6554 169.642 # generation 75: best score out of 40: T0136.try1-al10 61.6574 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 342 ## TwoFragment 5 ## CrossOver 161 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 239 ## OptSubtree 1042 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.998881 0.00030772 0.0158079 0.0445675 -13.9832 26.8046 -0.891482 # jumping subtree containing T0136:A 78 (77) jump= 0.644696 0.562167 0.269191 -0.442574 -34.9021 84.3128 8.10006 # jumping subtree containing T0136:A 1 (0) jump= -0.587536 -0.546947 -0.290541 0.520804 -31.0535 25.6133 -14.4651 # jumping subtree containing T0136:A 78 (77) jump= 0.116893 -0.653107 0.603511 -0.442224 -150.784 -62.6955 150.019 # jumping subtree containing T0136:A 78 (77) jump= -0.0458667 -0.959554 0.259655 0.0986477 4.48433 -75.0585 113.928 # generation 76: best score out of 40: T0136.try1-al10 61.6574 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 342 ## TwoFragment 5 ## CrossOver 164 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 239 ## OptSubtree 1063 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.781466 0.266862 0.278694 0.490332 -5.52223 -128.581 65.5698 # jumping subtree containing T0136:V 35 (34) jump= 0.945938 0.222762 0.129399 0.197063 -27.9333 65.0532 23.2297 # jumping subtree containing T0136:V 35 (34) jump= -0.948616 -0.263002 0.0698913 0.161473 9.7412 2.429 17.1921 # jumping subtree containing T0136:V 35 (34) jump= -0.858543 0.276431 -0.300476 -0.310168 -40.3844 -22.4494 -12.5187 # jumping subtree containing T0136:A 1 (0) jump= 0.538352 0.083562 -0.267517 -0.794751 -71.7278 -125.484 11.1709 # generation 77: best score out of 40: T0136.try1-al10 61.6574 cost/residue, 92 clashes 0.0175006 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 342 ## TwoFragment 5 ## CrossOver 166 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 242 ## OptSubtree 1082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.98255 -0.115712 -0.118369 0.0848204 -19.0418 -9.32004 -14.5814 # jumping subtree containing T0136:A 1 (0) jump= 0.3619 0.53683 -0.75966 0.0613009 -54.3967 -13.2919 212.394 # jumping subtree containing T0136:T 70 (69) jump= 0.170078 -0.106303 0.97955 0.0159962 -196.947 -16.8681 145.382 # jumping subtree containing T0136:A 1 (0) jump= 0.725793 0.606572 0.120238 -0.301394 -2.94754 65.5749 16.3142 # jumping subtree containing T0136:A 78 (77) jump= 0.898817 0.284547 0.315702 -0.107204 -57.9103 69.7859 -31.7945 # jumping subtree containing T0136:D 55 (54) jump= 0.121641 -0.95306 -0.234083 -0.148609 -17.7578 -15.6139 187.02 # jumping subtree containing T0136:G 63 (62) jump= -0.933001 -0.0893979 0.347739 -0.0244028 46.6783 19.8375 66.0797 # jumping subtree containing T0136:A 78 (77) jump= 0.999897 -0.0064042 -0.0105228 -0.00735581 10.8463 -8.74705 7.17181 # jumping subtree containing T0136:V 35 (34) jump= 0.303451 0.529036 0.679809 0.407307 -194.708 32.8486 169.398 # generation 78: best score out of 40: T0136.try1-al10 61.5268 cost/residue, 90 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 344 ## TwoFragment 5 ## CrossOver 169 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 243 ## OptSubtree 1105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= -0.0942984 0.947074 -0.283627 -0.117113 30.3562 -40.3549 161.558 # jumping subtree containing T0136:K 67 (66) jump= 0.482214 0.259362 0.817939 0.176571 -160.919 24.7201 65.8224 # jumping subtree containing T0136:A 78 (77) jump= -0.265657 -0.771753 -0.099245 -0.569188 -114.076 80.1321 174.91 # generation 79: best score out of 40: T0136.try1-al10 61.5268 cost/residue, 90 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 344 ## TwoFragment 5 ## CrossOver 170 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 250 ## OptSubtree 1129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.897582 0.0318431 0.34981 -0.266394 31.7178 35.632 86.6201 # jumping subtree containing T0136:G 63 (62) jump= -0.870349 0.429668 0.102148 -0.217817 41.6314 -20.6056 24.9476 # jumping subtree containing T0136:A 78 (77) jump= 0.950603 -0.242359 -0.193706 0.0097356 37.175 -11.6972 39.8023 # jumping subtree containing T0136:G 42 (41) jump= 0.8157 -0.446539 0.13635 -0.341534 -71.6716 -122.977 64.899 # jumping subtree containing T0136:E 36 (35) jump= 0.983618 -0.0711031 -0.0730798 -0.148659 14.6751 -27.358 -2.34253 # jumping subtree containing T0136:E 36 (35) jump= 0.143756 -0.26551 -0.318855 -0.898426 -185.346 -85.974 53.7389 # jumping subtree containing T0136:D 55 (54) jump= 0.932642 -0.0395789 0.313412 0.174314 -64.9303 -10.494 -12.7651 # jumping subtree containing T0136:V 35 (34) jump= 0.211267 0.693633 0.297176 -0.62123 -26.0667 86.8973 37.3764 # jumping subtree containing T0136:N 5 (4) jump= -0.444663 0.755907 -0.331255 -0.348065 -0.410305 -127.037 64.2242 # jumping subtree containing T0136:D 55 (54) jump= -0.995422 -0.0566629 -0.0768499 -0.00438881 0.0625067 4.44052 9.37644 # jumping subtree containing T0136:G 63 (62) jump= -0.911656 -0.0942577 -0.137229 -0.375722 -55.5564 48.8253 2.7186 # jumping subtree containing T0136:R 47 (46) jump= 0.859552 -0.364662 0.174869 0.312429 -17.2653 -24.8481 -9.73611 # jumping subtree containing T0136:E 36 (35) jump= -0.774244 -0.107826 -0.229673 0.579802 -99.0078 -19.5789 -10.6082 # generation 80: best score out of 40: T0136.try1-al10 61.5257 cost/residue, 91 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 344 ## TwoFragment 5 ## CrossOver 172 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 256 ## OptSubtree 1154 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= 0.0827568 -0.741762 0.60022 0.287536 -34.4923 -88.3274 103.686 # jumping subtree containing T0136:V 35 (34) jump= 0.572218 -0.235922 -0.727256 0.296658 3.96049 58.9621 197.22 # jumping subtree containing T0136:A 1 (0) jump= -0.19469 0.769373 0.303849 -0.527103 44.8767 45.7256 69.2461 # jumping subtree containing T0136:A 78 (77) jump= -0.958967 0.0953017 -0.265876 -0.0246788 -43.1072 -9.83831 -29.2547 # jumping subtree containing T0136:K 67 (66) jump= -0.974292 0.0968064 -0.0798065 0.187122 -7.10768 -50.9492 8.50787 # jumping subtree containing T0136:G 63 (62) jump= 0.993147 0.0933692 -0.0594803 -0.0374638 18.1653 26.0067 26.9421 # jumping subtree containing T0136:A 1 (0) jump= -0.206877 0.762604 -0.603824 -0.105042 -68.0189 -109.213 147.742 # jumping subtree containing T0136:K 67 (66) jump= 0.996117 0.0736348 -0.0251304 -0.0411946 -14.3013 13.4677 16.9386 # generation 81: best score out of 40: T0136.try1-al10 61.5257 cost/residue, 91 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 344 ## TwoFragment 5 ## CrossOver 174 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 257 ## OptSubtree 1181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.715588 0.051737 0.635119 -0.286149 10.2509 56.5408 168.247 # jumping subtree containing T0136:A 78 (77) jump= -0.843697 0.223694 0.471244 0.126752 15.7363 -52.0651 111.401 # jumping subtree containing T0136:V 35 (34) jump= -0.641382 -0.370411 0.610172 0.281273 43.0672 -70.4225 153.165 # jumping subtree containing T0136:E 36 (35) jump= -0.373459 -0.804246 -0.449484 0.108082 -40.331 102.262 111.233 # jumping subtree containing T0136:A 78 (77) jump= -0.216236 0.879174 0.409014 0.114025 -34.7879 40.2967 239.599 # jumping subtree containing T0136:A 1 (0) jump= 0.985761 -0.0915164 -0.0625999 0.12642 -6.98592 14.4307 22.5795 # jumping subtree containing T0136:A 78 (77) jump= -0.810132 -0.0618356 -0.442881 -0.379103 -134.861 24.8411 17.3016 # jumping subtree containing T0136:A 78 (77) jump= 0.943748 0.199585 -0.241745 0.105192 31.9075 64.5895 39.7149 # jumping subtree containing T0136:A 78 (77) jump= -0.890334 -0.305202 0.186158 0.281962 40.9541 -2.53221 10.477 # jumping subtree containing T0136:G 42 (41) jump= -0.175263 -0.0424235 0.551693 -0.814321 -138.249 84.6362 72.2355 # jumping subtree containing T0136:D 55 (54) jump= -0.988713 -0.106727 0.104755 -0.00910579 9.05007 23.829 3.64735 # generation 82: best score out of 40: T0136.try1-al10 61.4194 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 345 ## TwoFragment 5 ## CrossOver 178 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 259 ## OptSubtree 1206 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.276076 -0.734436 0.454428 0.421759 -43.5373 -155.038 73.5066 # jumping subtree containing T0136:A 78 (77) jump= 0.215817 -0.298934 -0.901795 -0.225449 -98.8106 -19.6302 210.608 # jumping subtree containing T0136:A 78 (77) jump= 0.962091 -0.0128246 0.0596696 0.265813 -13.1341 37.8103 8.61275 # jumping subtree containing T0136:G 42 (41) jump= 0.625408 0.403461 0.651853 -0.145508 -131.931 82.4845 76.3767 # jumping subtree containing T0136:R 15 (14) jump= -0.962338 -0.265402 -0.0475103 -0.03478 -15.6514 69.7938 12.9258 # jumping subtree containing T0136:A 78 (77) jump= 0.689769 -0.453995 0.520373 0.217527 -80.8744 -109.063 9.03253 # jumping subtree containing T0136:A 78 (77) jump= -0.111168 0.982634 -0.115629 -0.0932884 6.95619 -67.0404 166.469 # generation 83: best score out of 40: T0136.try1-al10 61.4194 cost/residue, 92 clashes 0.0175007 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 345 ## TwoFragment 5 ## CrossOver 180 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 259 ## OptSubtree 1237 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.93429 -0.114294 0.100785 0.322306 -20.3751 21.9691 -18.5141 # jumping subtree containing T0136:A 78 (77) jump= -0.301638 0.110995 -0.222457 0.920439 -188.082 -33.7416 31.7298 # jumping subtree containing T0136:K 67 (66) jump= 0.999858 -0.0147632 0.00637703 -0.00494557 8.49537 -6.62239 11.3887 # jumping subtree containing T0136:A 78 (77) jump= -0.967664 -0.0259459 0.134709 0.211678 14.0834 -13.6986 4.96312 # jumping subtree containing T0136:H 68 (67) jump= -0.815069 -0.523717 0.239373 0.0639104 13.5752 41.6521 82.1078 # jumping subtree containing T0136:V 35 (34) jump= 0.749402 0.48476 0.0785161 0.444116 -104.874 131.717 89.997 # jumping subtree containing T0136:V 35 (34) jump= -0.830442 0.0771031 0.490284 0.253068 28.7964 -87.498 123.328 # jumping subtree containing T0136:A 78 (77) jump= 0.115551 -0.256618 0.95724 0.0669752 -193.96 -62.6212 155.879 # jumping subtree containing T0136:A 78 (77) jump= -0.416714 -0.183576 0.154276 0.87684 -101.347 -61.8678 -24.6419 # jumping subtree containing T0136:D 55 (54) jump= 0.902305 -0.21981 -0.355419 0.105856 20.7339 12.3697 100.251 # generation 84: best score out of 40: T0136.try1-al10 61.4194 cost/residue, 92 clashes 0.0175008 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 345 ## TwoFragment 5 ## CrossOver 181 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 262 ## OptSubtree 1264 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.748177 -0.233823 0.374951 0.494944 25.6934 -89.9426 69.5381 # jumping subtree containing T0136:G 42 (41) jump= 0.308331 -0.0898712 -0.23059 0.918523 -111.121 87.2495 -5.75979 # jumping subtree containing T0136:G 63 (62) jump= 0.642143 -0.124209 -0.727628 0.20684 14.5933 64.1912 171.086 # jumping subtree containing T0136:K 67 (66) jump= 0.185592 0.0373626 -0.737291 -0.648508 -160.908 -114.529 129.834 # jumping subtree containing T0136:A 78 (77) jump= -0.738803 -0.387144 -0.0423551 -0.549995 -82.0193 133.051 44.9456 # jumping subtree containing T0136:G 63 (62) jump= 0.182184 0.232922 -0.66217 0.68854 -142.367 96.4628 146.191 # jumping subtree containing T0136:A 78 (77) jump= 0.425868 -0.110393 0.689786 0.575018 -178.938 -66.6587 49.173 # jumping subtree containing T0136:G 63 (62) jump= -0.432193 0.584663 0.0559976 -0.684282 10.7729 56.9365 -9.70575 # jumping subtree containing T0136:A 78 (77) jump= 0.762433 0.457909 -0.297909 0.346793 -31.8259 102.166 125.932 # generation 85: best score out of 40: T0136.try1-al10 61.3793 cost/residue, 92 clashes 0.0155062 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 346 ## TwoFragment 5 ## CrossOver 185 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 263 ## OptSubtree 1289 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.733132 0.214646 -0.0730523 -0.641177 -47.3638 26.6663 -12.6783 # jumping subtree containing T0136:K 67 (66) jump= 0.917933 -0.171099 0.155701 0.322305 -55.3702 2.81084 -29.8402 # jumping subtree containing T0136:V 35 (34) jump= 0.821988 -0.559457 0.00566036 -0.106355 -14.1135 -90.9198 81.9534 # jumping subtree containing T0136:V 35 (34) jump= -0.989691 0.00415645 0.142842 -0.00948866 10.7972 -10.0632 8.90644 # jumping subtree containing T0136:K 67 (66) jump= 0.654911 0.0638459 -0.0284814 0.752466 -130.391 119.364 36.9797 # jumping subtree containing T0136:A 78 (77) jump= 0.548649 -0.317818 0.703797 0.320383 -164.692 -75.1225 6.67103 # jumping subtree containing T0136:V 35 (34) jump= -0.630119 0.0033979 0.300055 0.716175 -45.7217 -69.2098 31.2969 # generation 86: best score out of 40: T0136.try1-al10 61.0451 cost/residue, 92 clashes 0.0223583 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 347 ## TwoFragment 5 ## CrossOver 188 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 265 ## OptSubtree 1312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= 0.303312 0.400232 -0.43683 -0.746321 -72.2342 -165.182 42.083 # jumping subtree containing T0136:V 16 (15) jump= -0.229819 0.0138852 0.539672 0.809781 -148.748 -135.115 95.2474 # jumping subtree containing T0136:G 63 (62) jump= 0.500915 0.778352 0.128093 -0.356152 17.5664 89.7183 64.1605 # jumping subtree containing T0136:G 42 (41) jump= 0.691677 -0.501599 0.13184 -0.502592 -103.366 -111.055 74.5514 # jumping subtree containing T0136:K 67 (66) jump= 0.888373 0.346102 0.18573 -0.237719 -38.7041 36.7534 -17.0221 # generation 87: best score out of 40: T0136.try1-al10 61.0451 cost/residue, 92 clashes 0.0223576 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 189 ## CrossAndInsert 28 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 265 ## OptSubtree 1345 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.694589 0.364053 -0.133951 0.605862 -144.787 -146.215 36.1999 # jumping subtree containing T0136:V 35 (34) jump= -0.916922 -0.293709 0.257072 0.0830841 59.105 4.81808 85.0758 # jumping subtree containing T0136:V 35 (34) jump= 0.846384 0.320621 -0.0283201 -0.424304 26.3497 -38.9964 -12.4165 # jumping subtree containing T0136:A 1 (0) jump= -0.907681 -0.223684 0.35196 0.0469523 37.6373 13.7789 88.2699 # jumping subtree containing T0136:V 35 (34) jump= 0.373421 -0.587878 0.479294 0.534072 -70.8257 -135.271 -0.127853 # jumping subtree containing T0136:K 67 (66) jump= -0.994533 -0.021312 -0.0876555 0.0525932 -34.7279 -24.6853 -26.8665 # jumping subtree containing T0136:A 1 (0) jump= -0.589226 -0.165931 0.0725207 -0.787414 -149.102 84.5583 32.5732 # jumping subtree containing T0136:V 35 (34) jump= -0.0116865 -0.929908 0.0934577 -0.355528 -95.7597 -63.1079 221.215 # jumping subtree containing T0136:A 78 (77) jump= 0.310575 0.57458 -0.539881 -0.53097 -23.6214 -145.607 80.2537 # jumping subtree containing T0136:E 36 (35) jump= 0.718585 -0.401377 -0.376596 -0.425096 -25.4347 -149.407 143.079 # jumping subtree containing T0136:A 1 (0) jump= -0.545755 -0.78706 0.247664 0.146121 43.6566 5.01579 129.522 # jumping subtree containing T0136:A 78 (77) jump= 0.478513 -0.786107 0.361864 0.148717 -25.0632 -65.4838 114.897 # jumping subtree containing T0136:G 63 (62) jump= 0.978455 0.148342 0.14218 -0.0201233 -20.733 55.1756 -16.0291 # jumping subtree containing T0136:A 78 (77) jump= 0.990082 -0.102697 -0.065297 -0.0701971 27.6992 -23.4978 -3.22277 # jumping subtree containing T0136:F 73 (72) jump= -0.269724 0.629943 -0.281917 -0.671524 -17.1376 -72.0955 10.1731 # jumping subtree containing T0136:V 35 (34) jump= -0.955294 0.214307 0.0597972 0.194706 -6.17762 -69.057 27.6092 # jumping subtree containing T0136:V 35 (34) jump= -0.45008 0.248501 -0.819766 -0.252307 -219.245 -75.8232 54.8781 # generation 88: best score out of 40: T0136.try1-al10 60.9733 cost/residue, 113 clashes 0.022358 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 189 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 272 ## OptSubtree 1371 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.728963 -0.108199 -0.328377 0.590825 -29.286 112.876 75.2244 # jumping subtree containing T0136:D 55 (54) jump= -0.445608 0.319017 0.619635 0.561885 -129.25 -83.5542 202.773 # jumping subtree containing T0136:R 69 (68) jump= 0.210588 0.428847 -0.591329 -0.649672 -84.354 -132.724 80.3579 # jumping subtree containing T0136:V 35 (34) jump= -0.597045 0.691546 -0.404353 -0.0424287 -89.1441 -165.724 76.0202 # jumping subtree containing T0136:G 63 (62) jump= 0.339118 -0.144205 0.488747 -0.790778 -217.032 -46.1583 -18.5977 # jumping subtree containing T0136:V 35 (34) jump= -0.405124 0.0249814 -0.0753002 -0.910813 -176.014 50.5393 -5.70492 # jumping subtree containing T0136:R 69 (68) jump= -0.528566 0.313454 -0.547297 -0.568182 -159.514 -61.1101 -24.2345 # jumping subtree containing T0136:F 73 (72) jump= 0.318796 -0.679763 0.0664998 0.657168 4.72533 6.78837 -0.0568266 # jumping subtree containing T0136:G 42 (41) jump= 0.33414 -0.808319 0.257638 -0.410601 -95.1454 -114.616 161.247 # jumping subtree containing T0136:V 62 (61) jump= -0.996087 0.0556468 0.0685852 0.00324352 25.5526 12.1994 12.389 # jumping subtree containing T0136:A 78 (77) jump= 0.692407 0.286543 -0.510998 0.421126 -77.6218 73.1745 147.084 # generation 89: best score out of 40: T0136.try1-al10 60.9733 cost/residue, 113 clashes 0.0223581 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 189 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 274 ## OptSubtree 1400 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.620873 0.0505796 0.448489 -0.64095 -5.08496 96.7711 86.1279 # jumping subtree containing T0136:R 69 (68) jump= -0.68425 0.156445 0.469868 0.535305 -63.7437 -136.522 143.973 # jumping subtree containing T0136:R 34 (33) jump= 0.754907 0.38371 -0.529464 -0.0505015 -0.196496 -0.900962 144.907 # jumping subtree containing T0136:V 35 (34) jump= 0.954361 -0.0120172 -0.29508 0.0444889 47.7304 28.3964 73.9438 # jumping subtree containing T0136:V 35 (34) jump= -0.784575 -0.12987 -0.160631 0.584613 -70.7808 -85.6716 -26.0886 # jumping subtree containing T0136:V 35 (34) jump= -0.281213 -0.0303202 0.824227 -0.49056 -148.551 100.607 180.805 # jumping subtree containing T0136:R 69 (68) jump= -0.806411 0.288666 0.126255 -0.500432 -4.56553 54.6548 2.69091 # jumping subtree containing T0136:R 69 (68) jump= 0.90214 0.430666 0.0187233 -0.0178923 5.7405 80.4825 0.845919 # Removing break before 72 # jumping subtree containing T0136:Q 41 (40) jump= -0.446639 -0.865561 -0.185565 -0.129938 -52.3462 74.9782 136.544 # jumping subtree containing T0136:G 63 (62) jump= -0.790573 0.278738 -0.0245849 0.544697 -114.585 -126.294 21.7019 # generation 90: best score out of 40: T0136.try1-al10 60.9732 cost/residue, 113 clashes 0.0223578 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 191 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 279 ## OptSubtree 1425 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.896659 0.35069 -0.149608 0.225027 -10.9785 58.6177 67.8056 # jumping subtree containing T0136:V 35 (34) jump= -0.717414 -0.0232205 -0.448186 -0.53283 -155.498 27.6203 -48.6946 # jumping subtree containing T0136:V 35 (34) jump= -0.209862 -0.00748252 -0.166984 -0.963337 -221.27 -28.1978 -13.315 # jumping subtree containing T0136:V 35 (34) jump= 0.150907 -0.373143 0.896837 -0.183509 -214.996 -59.0759 122.417 # jumping subtree containing T0136:V 35 (34) jump= 0.917931 -0.294842 0.205825 -0.167652 -64.5695 -106.843 -10.9841 # jumping subtree containing T0136:V 35 (34) jump= 0.159074 0.0190328 0.976682 0.14292 -243.677 4.73312 148.679 # jumping subtree containing T0136:R 69 (68) jump= -0.662607 -0.430875 -0.378262 0.481889 -80.4943 48.125 -44.5201 # jumping subtree containing T0136:V 35 (34) jump= 0.300876 0.942102 0.139429 -0.0497683 4.22616 62.2546 114.006 # jumping subtree containing T0136:R 69 (68) jump= 0.418161 -0.0765234 0.614495 0.664592 -207.917 -38.9156 8.83705 # generation 91: best score out of 40: T0136.try1-al10 60.9732 cost/residue, 113 clashes 0.0223578 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 194 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 281 ## OptSubtree 1449 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.762096 0.221984 0.507646 0.335006 -171.46 54.7329 -1.97772 # jumping subtree containing T0136:R 69 (68) jump= -0.426394 0.0603029 0.300179 0.851143 -120.9 -107.935 25.0259 # jumping subtree containing T0136:R 69 (68) jump= -0.163479 0.955182 0.102077 -0.224682 32.3637 -67.5112 158.973 # jumping subtree containing T0136:R 69 (68) jump= 0.967326 -0.0514452 -0.138658 0.205932 10.1052 10.5146 26.2065 # jumping subtree containing T0136:A 1 (0) jump= 0.357601 0.0840917 -0.866336 -0.338397 -146.753 -79.7215 207.048 # jumping subtree containing T0136:Q 22 (21) jump= 0.871345 0.305093 -0.100891 0.370806 -22.3414 124.012 81.3649 # generation 92: best score out of 40: T0136.try1-al10 60.9732 cost/residue, 113 clashes 0.0223584 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 198 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 285 ## OptSubtree 1469 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= -0.394288 -0.0679826 -0.420273 -0.814424 -238.326 -23.1629 31.0264 # jumping subtree containing T0136:V 35 (34) jump= -0.907147 -0.378386 0.17838 0.0457157 30.8319 60.9222 69.2193 # jumping subtree containing T0136:V 35 (34) jump= 0.998877 -0.00319066 0.0449776 -0.0145253 14.9988 -10.0147 -12.4035 # jumping subtree containing T0136:V 35 (34) jump= 0.832166 0.132067 0.478274 -0.247614 -104.109 2.66155 -22.349 # jumping subtree containing T0136:V 35 (34) jump= 0.278808 -0.618424 -0.72301 0.130672 -60.3146 77.32 165.557 # jumping subtree containing T0136:V 35 (34) jump= -0.999211 -0.00327423 0.0119154 -0.0377395 -18.1681 -12.0048 1.17555 # jumping subtree containing T0136:I 26 (25) jump= -0.943265 -0.327 0.00477801 -0.0574481 -3.6503 60.719 45.5178 # jumping subtree containing T0136:Q 22 (21) jump= 0.0591168 0.113212 0.538625 -0.83281 -191.65 78.6327 11.3729 # jumping subtree containing T0136:R 69 (68) jump= -0.325687 0.680708 -0.384043 -0.532049 -58.1558 -73.5615 -4.37036 # jumping subtree containing T0136:I 26 (25) jump= 0.645318 -0.34859 -0.155592 0.661696 -45.373 93.9835 -7.26516 # generation 93: best score out of 40: T0136.try1-al10 60.9732 cost/residue, 113 clashes 0.0223584 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 205 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 286 ## OptSubtree 1485 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= -0.757167 -0.52629 0.253522 -0.292308 -7.26356 89.0307 112.501 # jumping subtree containing T0136:A 20 (19) jump= 0.768067 0.155237 0.330254 -0.526219 -130.085 -21.6928 -50.267 # jumping subtree containing T0136:A 1 (0) jump= 0.776864 -0.0449074 -0.443946 0.444273 -28.7414 113.686 95.2959 # jumping subtree containing T0136:E 36 (35) jump= -0.944053 0.0212827 -0.0945633 0.315229 -22.7041 -56.039 -23.3559 # jumping subtree containing T0136:V 35 (34) jump= 0.382519 0.915972 -0.00687295 0.120947 -34.7234 78.8199 182.801 # jumping subtree containing T0136:V 35 (34) jump= 0.402128 -0.56644 -0.158948 -0.701551 -162.905 -117.579 175.044 # jumping subtree containing T0136:R 69 (68) jump= -0.998413 -0.0400366 -0.0391357 0.0060042 -17.1442 -14.1639 9.61178 # jumping subtree containing T0136:V 35 (34) jump= -0.567914 0.0615468 0.569589 0.590977 -102.478 -119.546 130.64 # jumping subtree containing T0136:R 69 (68) jump= 0.0546827 -0.156889 -0.253547 -0.952948 -219.571 -113.855 68.2427 # jumping subtree containing T0136:R 69 (68) jump= -0.529579 -0.675262 -0.510692 0.0525477 -75.0588 115.259 115.088 # jumping subtree containing T0136:E 36 (35) jump= 0.864098 -0.0514789 -0.482234 0.134661 32.2596 39.7348 95.695 # jumping subtree containing T0136:V 35 (34) jump= -0.458111 0.296442 0.826389 0.13906 -70.5799 -3.93043 225.048 # jumping subtree containing T0136:A 1 (0) jump= 0.99487 -0.0521396 -0.0609787 0.0616168 10.8317 0.10475 28.7459 # jumping subtree containing T0136:R 69 (68) jump= 0.996128 -0.0431817 0.0666319 -0.0377535 8.35498 -28.3351 -10.7914 # generation 94: best score out of 40: T0136.try1-al10 60.9732 cost/residue, 113 clashes 0.0223584 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 209 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 286 ## OptSubtree 1505 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= -0.903296 0.167344 0.286438 -0.272038 30.318 53.8659 75.1779 # jumping subtree containing T0136:V 35 (34) jump= 0.432124 -0.357465 -0.801428 -0.207849 -104.042 -29.8127 232.703 # jumping subtree containing T0136:G 42 (41) jump= -0.649771 -0.225138 0.717545 0.110635 -12.5572 -51.5387 177.906 # jumping subtree containing T0136:V 35 (34) jump= -0.0170274 0.43367 -0.900698 0.0195907 -187.638 -71.942 164.047 # jumping subtree containing T0136:R 69 (68) jump= 0.953073 -0.13633 -0.00263774 0.270296 -22.6937 22.858 -15.9681 # jumping subtree containing T0136:R 69 (68) jump= -0.927623 0.0208297 -0.0758969 -0.365132 -22.5393 72.65 -34.3939 # jumping subtree containing T0136:A 1 (0) jump= 0.785412 0.110623 0.302101 -0.528797 -95.9935 -51.9542 -42.2398 # jumping subtree containing T0136:V 35 (34) jump= -0.875596 0.37554 -0.155108 0.261233 -53.7856 -106.861 26.187 # jumping subtree containing T0136:R 69 (68) jump= -0.967143 -0.123789 0.134249 0.176885 29.7843 -21.984 56.3223 # jumping subtree containing T0136:A 78 (77) jump= 0.944596 -0.277298 -0.134904 -0.112452 2.61899 -72.2863 70.727 # jumping subtree containing T0136:V 35 (34) jump= 0.860004 -0.215438 0.393266 -0.243558 -135.704 -70.7835 -39.5268 # jumping subtree containing T0136:V 35 (34) jump= -0.997741 -0.00883103 0.0414252 0.0521436 -4.26937 -10.7172 -1.99391 # generation 95: best score out of 40: T0136.try1-al10 60.9732 cost/residue, 113 clashes 0.0223584 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 348 ## TwoFragment 5 ## CrossOver 219 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 286 ## OptSubtree 1519 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.0584006 0.595049 -0.801391 -0.0166818 -139.389 -97.711 156.455 # jumping subtree containing T0136:E 36 (35) jump= -0.45704 0.411872 0.559799 -0.555068 -42.5201 105.14 78.7014 # jumping subtree containing T0136:V 35 (34) jump= -0.424596 0.517385 0.701453 0.244938 -39.5601 -19.8918 218.21 # jumping subtree containing T0136:V 35 (34) jump= -0.362451 0.209993 0.402145 0.814132 -178.723 -159.337 111.105 # jumping subtree containing T0136:R 69 (68) jump= 0.443852 0.549506 -0.65283 0.273589 -85.9382 22.2844 213.689 # jumping subtree containing T0136:A 78 (77) jump= -0.322564 0.369942 -0.858392 0.149193 -232.742 -88.5208 182.122 # jumping subtree containing T0136:A 78 (77) jump= -0.962067 -0.0686997 -0.117784 0.236294 -25.9498 -35.8544 -30.4954 # jumping subtree containing T0136:V 35 (34) jump= -0.844837 0.230559 -0.472807 -0.0977023 -138.579 -39.6851 -18.3051 # generation 96: best score out of 40: T0136.try1-al10 60.7987 cost/residue, 110 clashes 0.0223584 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 350 ## TwoFragment 5 ## CrossOver 225 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 286 ## OptSubtree 1536 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.0231291 0.114723 0.926621 -0.357319 -161.047 57.6764 116.646 # jumping subtree containing T0136:Q 41 (40) jump= -0.980151 0.0416375 -0.0106966 -0.193533 -4.28751 16.8352 -23.5527 # jumping subtree containing T0136:V 35 (34) jump= -0.30754 -0.798503 0.351003 -0.380275 -113.319 28.5015 235.123 # jumping subtree containing T0136:V 35 (34) jump= 0.965186 0.218924 -0.131252 -0.057108 22.2198 18.6219 38.358 # jumping subtree containing T0136:R 69 (68) jump= 0.30394 0.495621 -0.374945 0.722078 -152.635 97.8575 155.734 # jumping subtree containing T0136:A 78 (77) jump= 0.938386 0.161112 0.0447889 0.302438 -30.6566 79.4759 19.5935 # jumping subtree containing T0136:R 69 (68) jump= -0.684711 0.678061 0.201577 0.175415 -12.3238 -54.609 139.45 # generation 97: best score out of 40: T0136.try1-al10 60.7987 cost/residue, 110 clashes 0.0223584 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 350 ## TwoFragment 5 ## CrossOver 227 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 292 ## OptSubtree 1565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= -0.605952 -0.40207 -0.00822392 0.686364 -40.5374 -54.9246 -5.03779 # jumping subtree containing T0136:V 35 (34) jump= -0.663751 0.245739 -0.700855 0.0885911 -220.371 -55.9745 4.55557 # jumping subtree containing T0136:Q 22 (21) jump= 0.0388349 0.712155 0.590505 0.377666 -119.373 30.0984 216.333 # jumping subtree containing T0136:R 69 (68) jump= 0.190139 0.0993627 0.425706 0.879061 -247.109 -10.9442 49.6009 # jumping subtree containing T0136:R 69 (68) jump= -0.927998 -0.0350484 0.360876 -0.0857906 18.3659 7.3308 99.8679 # jumping subtree containing T0136:V 35 (34) jump= 0.624658 0.40928 0.640519 0.178963 -179.313 87.9038 81.2404 # jumping subtree containing T0136:R 69 (68) jump= 0.955165 0.110138 -0.273146 -0.0303521 30.4969 9.94134 70.82 # jumping subtree containing T0136:A 78 (77) jump= -0.890735 -0.0250824 -0.273516 0.362147 -93.2498 -60.1023 -33.8011 # jumping subtree containing T0136:Q 41 (40) jump= -0.101631 0.911565 0.148611 0.369643 -81.2721 -63.177 202.725 # jumping subtree containing T0136:A 1 (0) jump= -0.735446 -0.518326 0.264208 -0.347349 -46.7428 65.7521 150.157 # jumping subtree containing T0136:V 35 (34) jump= -0.627621 -0.437484 -0.563055 0.312519 -114.925 78.4614 -41.0331 # generation 98: best score out of 40: T0136.try1-al10 60.6094 cost/residue, 103 clashes 0.0223579 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 350 ## TwoFragment 5 ## CrossOver 235 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 296 ## OptSubtree 1586 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 22 (21) jump= -0.202319 -0.578424 -0.731791 0.298287 -132.875 107.304 87.1244 # jumping subtree containing T0136:E 36 (35) jump= 0.895691 -0.308403 -0.206088 -0.24526 20.8977 -103.303 94.0436 # jumping subtree containing T0136:A 20 (19) jump= -0.949846 0.249277 -0.188163 -0.0157476 -51.3786 -31.0111 -15.1421 # jumping subtree containing T0136:V 35 (34) jump= 0.912724 0.162061 -0.260977 0.269372 -3.74718 95.6726 76.8785 # jumping subtree containing T0136:R 69 (68) jump= 0.995427 0.0255005 -0.0649506 0.0652326 7.99065 39.8226 27.3943 # jumping subtree containing T0136:V 35 (34) jump= -0.680288 0.410355 -0.572889 0.201532 -167.494 -112.989 -4.23977 # jumping subtree containing T0136:G 42 (41) jump= 0.503892 -0.0598396 -0.176646 -0.843391 -155.649 -139.301 36.066 # jumping subtree containing T0136:Q 22 (21) jump= -0.995234 0.0278706 0.0213711 -0.0909697 -8.76369 14.4877 3.65363 # jumping subtree containing T0136:Q 41 (40) jump= -0.729875 0.372786 -0.273856 -0.503304 -61.8768 -54.1887 -39.2407 # jumping subtree containing T0136:R 69 (68) jump= 0.995393 0.0756259 0.00249821 -0.0588903 -26.6323 10.1787 3.6816 # jumping subtree containing T0136:I 26 (25) jump= 0.306212 0.00549869 -0.609875 0.730929 -148.663 123.002 85.8323 # generation 99: best score out of 40: T0136.try1-al10 60.6094 cost/residue, 103 clashes 0.0223579 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 350 ## TwoFragment 5 ## CrossOver 236 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 301 ## OptSubtree 1617 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.821661 0.168784 0.535284 0.099276 -138.042 48.8436 -4.25848 # jumping subtree containing T0136:G 63 (62) jump= 0.677946 0.554366 0.115059 0.468858 -123.443 171.653 105.149 # jumping subtree containing T0136:R 69 (68) jump= -0.276194 -0.36113 0.792383 0.406731 -81.7316 -106.384 159.232 # jumping subtree containing T0136:A 78 (77) jump= 0.998467 -0.053282 -0.0124814 0.00833345 6.89168 -1.15921 1.00432 # jumping subtree containing T0136:E 36 (35) jump= 0.27475 0.119969 -0.939856 -0.16368 -141.533 -51.4346 219.11 # jumping subtree containing T0136:A 78 (77) jump= 0.518269 0.417229 -0.268408 0.696616 -129.546 100.936 116.579 # jumping subtree containing T0136:A 78 (77) jump= 0.37176 -0.757534 0.526837 0.101874 -88.3194 -145.224 74.6693 # jumping subtree containing T0136:A 78 (77) jump= 0.682363 -0.561298 0.375245 -0.280209 -94.8685 -127.166 51.634 # jumping subtree containing T0136:A 78 (77) jump= 0.425587 -0.800351 0.260952 0.33199 2.37476 -105.603 40.2667 # jumping subtree containing T0136:D 55 (54) jump= 0.560753 -0.0678182 0.174565 -0.806526 -146.678 -80.2656 6.95171 # jumping subtree containing T0136:G 63 (62) jump= 0.693428 0.219642 -0.425442 -0.538437 -37.8426 -105.452 85.2884 # generation 100: best score out of 40: T0136.try1-al10 60.6093 cost/residue, 103 clashes 0.0223585 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 86 ## InsertFragment 350 ## TwoFragment 5 ## CrossOver 237 ## CrossAndInsert 29 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 301 ## OptSubtree 1649 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1049165250.pdb -s /projects/compbio/tmp/to_scwrl_1049165250.seq -o /projects/compbio/tmp/from_scwrl_1049165250.pdb -a /projects/compbio/tmp/from_scwrl_1049165250_a.pdb -b /projects/compbio/tmp/from_scwrl_1049165250_b.pdb > /projects/compbio/tmp/scwrl_1049165250.log # T0136.try1-al10-scwrl 61.1481 cost/residue 103 clashes 0.0223585 breaks # iteration 5 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 70.8894 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 20 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 0 ## 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 70.0729 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 38 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10 70.0729 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 53 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1 68.3328 cost/residue, 130 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 68 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 7 ## ReduceClash 6 ## 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 67.6706 cost/residue, 134 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 31 ## InsertFragment 82 ## TwoFragment 2 ## CrossOver 2 ## CrossAndInsert 11 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1 67.6706 cost/residue, 134 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 40 ## InsertFragment 102 ## TwoFragment 2 ## CrossOver 2 ## CrossAndInsert 11 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1 67.2916 cost/residue, 109 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 45 ## InsertFragment 118 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 11 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1 66.9552 cost/residue, 88 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 49 ## InsertFragment 132 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 13 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1 65.644 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 51 ## InsertFragment 153 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 14 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1 65.644 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 167 ## TwoFragment 3 ## CrossOver 5 ## CrossAndInsert 16 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1 65.644 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 59 ## InsertFragment 187 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 16 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.984346 -0.0895606 0.14755 -0.0356369 14.2209 19.1412 37.1513 # generation 12: best score out of 40: T0136.try1 65.644 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 203 ## TwoFragment 3 ## CrossOver 7 ## CrossAndInsert 18 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= -0.986796 -0.0564985 -0.145473 -0.0433575 1.16018 1.92239 -12.5554 # generation 13: best score out of 40: T0136.try1 65.4823 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 61 ## InsertFragment 219 ## TwoFragment 3 ## CrossOver 9 ## CrossAndInsert 19 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1 65.3509 cost/residue, 133 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 62 ## InsertFragment 235 ## TwoFragment 3 ## CrossOver 11 ## CrossAndInsert 20 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1 65.3509 cost/residue, 133 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 254 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 21 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1 64.9871 cost/residue, 121 clashes 0.0193992 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 63 ## InsertFragment 268 ## TwoFragment 3 ## CrossOver 14 ## CrossAndInsert 25 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.0749514 -0.64093 -0.182026 0.741928 117.52 129.691 117.676 # generation 17: best score out of 40: T0136.try1 64.9359 cost/residue, 100 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 64 ## InsertFragment 282 ## TwoFragment 3 ## CrossOver 15 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1 64.9359 cost/residue, 100 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 297 ## TwoFragment 3 ## CrossOver 21 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 37 # generation 19: best score out of 40: T0136.try1 64.7689 cost/residue, 101 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 310 ## TwoFragment 3 ## CrossOver 23 ## CrossAndInsert 31 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1 64.5521 cost/residue, 161 clashes 0.0193992 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 325 ## TwoFragment 3 ## CrossOver 25 ## CrossAndInsert 33 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0136.try1 63.9169 cost/residue, 109 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 67 ## InsertFragment 343 ## TwoFragment 3 ## CrossOver 29 ## CrossAndInsert 33 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 22: best score out of 40: T0136.try1 63.8029 cost/residue, 117 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 69 ## InsertFragment 356 ## TwoFragment 3 ## CrossOver 32 ## CrossAndInsert 34 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.018594 -0.0319277 -0.961113 -0.273674 172.097 13.6958 -3.50436 # generation 23: best score out of 40: T0136.try1 63.8029 cost/residue, 117 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 366 ## TwoFragment 3 ## CrossOver 35 ## CrossAndInsert 38 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 9 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0136.try1 63.8029 cost/residue, 117 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 379 ## TwoFragment 3 ## CrossOver 40 ## CrossAndInsert 40 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 12 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.583937 0.348343 -0.731231 -0.0545543 84.0563 23.1515 131.224 # generation 25: best score out of 40: T0136.try1 63.8029 cost/residue, 117 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 391 ## TwoFragment 3 ## CrossOver 46 ## CrossAndInsert 40 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 15 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.249495 0.292433 -0.465504 -0.797208 145.1 156.131 -26.8744 # generation 26: best score out of 40: T0136.try1 63.6761 cost/residue, 125 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 401 ## TwoFragment 3 ## CrossOver 49 ## CrossAndInsert 40 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 18 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 27: best score out of 40: T0136.try1 63.0171 cost/residue, 121 clashes 0.0267775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 70 ## InsertFragment 408 ## TwoFragment 3 ## CrossOver 54 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 22 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # jumping subtree containing T0136:H 39 (38) jump= 0.213928 -0.628491 0.565163 -0.48972 114.607 207.763 71.0456 # generation 28: best score out of 40: T0136.try1 63.0171 cost/residue, 121 clashes 0.0267775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 72 ## InsertFragment 414 ## TwoFragment 4 ## CrossOver 59 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 24 ## OptSubtree 42 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 38 # generation 29: best score out of 40: T0136.try1 63.0171 cost/residue, 121 clashes 0.0267775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 421 ## TwoFragment 4 ## CrossOver 61 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 28 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.338971 0.67935 0.647756 -0.0631903 -16.7238 24.006 59.8325 # jumping subtree containing T0136:H 39 (38) jump= -0.443309 -0.490134 0.243676 -0.709837 164.806 132.821 -73.9293 # jumping subtree containing T0136:N 51 (50) jump= 0.025231 0.0419028 -0.0244659 -0.998503 139.876 135.685 11.4739 # generation 30: best score out of 40: T0136.try1 63.0144 cost/residue, 120 clashes 0.0267775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 425 ## TwoFragment 4 ## CrossOver 67 ## CrossAndInsert 45 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 35 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.994304 -0.0274565 -0.0626244 0.0817518 7.9059 -16.3447 15.1213 # generation 31: best score out of 40: T0136.try1 62.9471 cost/residue, 126 clashes 0.0496477 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 432 ## TwoFragment 4 ## CrossOver 72 ## CrossAndInsert 46 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 40 ## OptSubtree 57 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.969251 -0.00233871 0.242578 0.0412752 -10.5991 -8.88586 41.4282 # generation 32: best score out of 40: T0136.try1 62.5884 cost/residue, 127 clashes 0.0400595 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 437 ## TwoFragment 4 ## CrossOver 79 ## CrossAndInsert 46 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 45 ## OptSubtree 64 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 19 (18) jump= 0.406024 0.124877 0.836358 -0.34649 119.731 33.9095 138.163 # generation 33: best score out of 40: T0136.try1 62.5884 cost/residue, 127 clashes 0.0400594 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 441 ## TwoFragment 4 ## CrossOver 86 ## CrossAndInsert 47 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 49 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.246492 -0.931993 0.176334 -0.198839 23.4162 144.666 -63.0734 # generation 34: best score out of 40: T0136.try1 62.4781 cost/residue, 127 clashes 0.0400595 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 447 ## TwoFragment 4 ## CrossOver 95 ## CrossAndInsert 47 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 52 ## OptSubtree 76 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # Removing break before 55 # generation 35: best score out of 40: T0136.try1 62.3834 cost/residue, 144 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 101 ## CrossAndInsert 47 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 58 ## OptSubtree 86 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 50 # Removing break before 32 # jumping subtree containing T0136:N 51 (50) jump= 0.631313 -0.231585 -0.554597 -0.490137 25.0607 41.2095 -84.689 # jumping subtree containing T0136:A 1 (0) jump= -0.87251 -0.367198 -0.305516 -0.102722 8.47701 -21.6651 22.0925 # jumping subtree containing T0136:A 1 (0) jump= 0.84122 -0.254333 0.336862 0.337918 112.163 -27.6148 121.05 # jumping subtree containing T0136:N 51 (50) jump= 0.525604 -0.260276 -0.232363 -0.775889 86.9104 120.304 -77.8929 # generation 36: best score out of 40: T0136.try1 62.3834 cost/residue, 144 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 451 ## TwoFragment 4 ## CrossOver 105 ## CrossAndInsert 47 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 64 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # Removing break before 32 # jumping subtree containing T0136:A 1 (0) jump= 0.683185 -0.407082 -0.433987 -0.423316 20.0823 62.0052 -35.9334 # generation 37: best score out of 40: T0136.try1 62.2784 cost/residue, 135 clashes 0.0267775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 453 ## TwoFragment 4 ## CrossOver 110 ## CrossAndInsert 47 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 71 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= -0.667949 -0.0296052 0.630056 -0.394965 139.333 -27.2197 -55.2055 # generation 38: best score out of 40: T0136.try1 62.269 cost/residue, 135 clashes 0.0267775 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 455 ## TwoFragment 4 ## CrossOver 112 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 81 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 75 (74) jump= 0.398864 0.25441 0.824586 0.310228 152.814 -45.6233 37.1142 # Removing break before 32 # jumping subtree containing T0136:R 49 (48) jump= -0.705342 0.421285 -0.188514 0.538027 47.6881 111.908 26.3288 # generation 39: best score out of 40: T0136.try1 62.2662 cost/residue, 143 clashes 0.0444262 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 456 ## TwoFragment 4 ## CrossOver 114 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 91 ## OptSubtree 136 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.907944 0.333771 -0.221573 0.123042 4.20288 52.7846 73.8159 # jumping subtree containing T0136:L 19 (18) jump= 0.981979 0.0372076 0.173646 -0.0646522 10.9449 30.2622 14.5388 # Removing break before 32 # generation 40: best score out of 40: T0136.try1 62.229 cost/residue, 140 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 122 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 98 ## OptSubtree 145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.439552 -0.810819 -0.114781 -0.369042 35.198 98.5688 -53.3384 # jumping subtree containing T0136:E 13 (12) jump= 0.222372 -0.639865 -0.610343 -0.410615 78.2727 -49.6635 -69.9486 # jumping subtree containing T0136:R 33 (32) jump= 0.398105 0.889361 -0.120336 0.189919 61.0325 105.358 -108.57 # generation 41: best score out of 40: T0136.try1 62.2289 cost/residue, 140 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 128 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 104 ## OptSubtree 158 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.819275 -0.0910534 -0.256751 -0.504556 112.663 -50.5778 20.0353 # Removing break before 32 # jumping subtree containing T0136:H 68 (67) jump= -0.629749 0.196876 0.454444 0.598445 77.5896 89.6705 -60.5243 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= -0.940438 -0.225661 0.251947 0.0342908 0.460329 12.5258 -71.1894 # jumping subtree containing T0136:A 1 (0) jump= -0.97137 -0.193056 0.0465596 0.130395 -5.90105 14.395 -43.3987 # generation 42: best score out of 40: T0136.try1 62.2289 cost/residue, 140 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 131 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 111 ## OptSubtree 175 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # generation 43: best score out of 40: T0136.try1 62.2289 cost/residue, 140 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 136 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 122 ## OptSubtree 184 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 20 (19) jump= 0.997648 0.0350577 0.0570875 0.014496 21.5049 1.13113 -3.95703 # jumping subtree containing T0136:D 55 (54) jump= -0.0542941 -0.484812 0.787706 -0.376202 233.831 140.32 -5.0933 # jumping subtree containing T0136:R 33 (32) jump= 0.165379 -0.454213 0.367749 -0.794419 208.723 174.583 -22.1666 # generation 44: best score out of 40: T0136.try1 62.228 cost/residue, 140 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 141 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 127 ## OptSubtree 198 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # generation 45: best score out of 40: T0136.try1 62.228 cost/residue, 140 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 151 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 131 ## OptSubtree 208 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.94607 -0.0997151 0.194992 0.238717 55.1856 -46.4909 59.8145 # Removing break before 32 # jumping subtree containing T0136:P 56 (55) jump= 0.695201 0.162423 0.481452 -0.508447 39.3781 86.0461 99.4922 # Removing break before 32 # generation 46: best score out of 40: T0136.try1 62.228 cost/residue, 140 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 457 ## TwoFragment 4 ## CrossOver 156 ## CrossAndInsert 48 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 143 ## OptSubtree 222 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= -0.951291 0.139405 0.23028 0.150278 5.10409 1.9326 -19.124 # Removing break before 32 # jumping subtree containing T0136:Q 44 (43) jump= -0.519161 0.490653 -0.692712 -0.0994113 163.931 99.1414 136.242 # generation 47: best score out of 40: T0136.try1 62.0395 cost/residue, 138 clashes 0.0267776 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 458 ## TwoFragment 4 ## CrossOver 162 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 148 ## OptSubtree 233 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:F 59 (58) jump= -0.43486 0.241343 0.848778 -0.179515 183.857 -65.1748 -30.5703 # Removing break before 32 # jumping subtree containing T0136:A 20 (19) jump= -0.750229 0.594116 -0.28941 -0.0206286 56.9691 81.1454 105.184 # jumping subtree containing T0136:A 20 (19) jump= 0.721071 -0.505138 0.455098 0.133334 83.8555 32.974 136.216 # generation 48: best score out of 40: T0136.try1 61.6723 cost/residue, 136 clashes 0.057401 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 462 ## TwoFragment 4 ## CrossOver 171 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 150 ## OptSubtree 248 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.264131 -0.0844667 0.949305 -0.148058 203.519 5.90232 -52.4795 # Removing break before 32 # jumping subtree containing T0136:V 79 (78) jump= 0.945928 0.27513 0.168571 -0.0332776 -13.8696 38.1945 1.31777 # generation 49: best score out of 40: T0136.try1 61.4333 cost/residue, 129 clashes 0.057401 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 465 ## TwoFragment 4 ## CrossOver 180 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 155 ## OptSubtree 259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.629033 0.553684 0.531583 -0.123168 24.5805 9.6623 48.1523 # generation 50: best score out of 40: T0136.try1 61.3736 cost/residue, 125 clashes 0.0574009 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 466 ## TwoFragment 4 ## CrossOver 192 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 163 ## OptSubtree 267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.189253 -0.911449 -0.188866 0.312687 11.246 55.9228 77.9485 # jumping subtree containing T0136:D 60 (59) jump= 0.282103 -0.709212 0.346918 0.545055 170.213 123.789 149.33 # jumping subtree containing T0136:A 1 (0) jump= 0.999384 0.0108054 0.0318027 -0.0101347 1.86461 11.2188 22.6225 # jumping subtree containing T0136:R 69 (68) jump= -0.900132 0.169606 0.387798 0.102997 9.42159 33.9568 -48.781 # Removing break before 32 # jumping subtree containing T0136:Q 44 (43) jump= -0.077366 -0.0881362 0.977133 -0.177365 253.611 24.6808 16.1601 # generation 51: best score out of 40: T0136.try1 61.3736 cost/residue, 125 clashes 0.0574009 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 467 ## TwoFragment 4 ## CrossOver 194 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 176 ## OptSubtree 285 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:G 42 (41) jump= -0.48483 -0.602637 -0.466004 0.429661 36.6433 32.8456 120.481 # jumping subtree containing T0136:A 20 (19) jump= 0.62731 -0.470278 0.555476 -0.277069 102.538 124.735 121.706 # jumping subtree containing T0136:Q 44 (43) jump= 0.343982 0.888554 -0.160121 0.257895 38.0212 110.029 -127.754 # generation 52: best score out of 40: T0136.try1 61.3644 cost/residue, 125 clashes 0.0574009 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 467 ## TwoFragment 4 ## CrossOver 201 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 183 ## OptSubtree 301 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.299716 0.803714 -0.513963 -0.00753523 133.042 162.79 65.5495 # jumping subtree containing T0136:Q 44 (43) jump= 0.880169 0.176552 -0.0252772 -0.439879 -20.0928 109.966 -9.89542 # jumping subtree containing T0136:G 74 (73) jump= -0.746897 0.162006 0.618088 0.184031 64.0381 0.620665 -101.354 # generation 53: best score out of 40: T0136.try1 60.8929 cost/residue, 124 clashes 0.0574009 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 468 ## TwoFragment 4 ## CrossOver 207 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 190 ## OptSubtree 315 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= 0.925506 -0.224059 -0.295146 -0.0782614 14.0432 -11.3161 -37.6492 # jumping subtree containing T0136:A 1 (0) jump= 0.99684 0.0109216 0.0182571 0.0765371 22.3891 -10.8071 8.59309 # jumping subtree containing T0136:L 54 (53) jump= -0.202214 0.354888 0.393486 -0.82361 205.151 65.742 111.266 # jumping subtree containing T0136:R 33 (32) jump= -0.44006 -0.808041 0.391685 -0.000224702 81.4342 140.819 -53.4172 # Removing break before 32 # jumping subtree containing T0136:Q 44 (43) jump= 0.928729 -0.18355 0.0837546 -0.311059 -9.18365 76.4988 42.347 # jumping subtree containing T0136:L 54 (53) jump= 0.622266 0.701268 0.326871 0.119011 12.5662 -3.0554 -41.6007 # jumping subtree containing T0136:F 73 (72) jump= -0.743474 0.397108 -0.453832 -0.289117 102.604 13.3748 112.235 # jumping subtree containing T0136:G 42 (41) jump= -0.92511 -0.249092 0.283423 -0.0423841 12.1849 26.0301 -97.2097 # generation 54: best score out of 40: T0136.try1 60.8929 cost/residue, 124 clashes 0.0574009 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 471 ## TwoFragment 4 ## CrossOver 209 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 199 ## OptSubtree 333 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 20 (19) jump= 0.975581 -0.0787737 0.189323 -0.0786913 -7.95373 37.3872 69.3416 # jumping subtree containing T0136:L 54 (53) jump= 0.767835 0.624686 -0.139804 0.0255291 18.9452 84.3025 -71.0165 # jumping subtree containing T0136:A 20 (19) jump= 0.374532 0.879379 0.290083 0.0476406 8.11406 53.6865 -0.748062 # generation 55: best score out of 40: T0136.try1 60.6687 cost/residue, 108 clashes 0.0574009 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 215 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 210 ## OptSubtree 343 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= 0.680012 -0.111373 0.174996 0.703247 208.786 -25.4338 33.0727 # generation 56: best score out of 40: T0136.try1 60.6621 cost/residue, 108 clashes 0.0574008 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 218 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 220 ## OptSubtree 360 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.393185 -0.0419606 0.916617 -0.0588 192.175 20.0761 103.898 # jumping subtree containing T0136:L 54 (53) jump= 0.98938 -0.128753 0.0546853 0.0394793 -3.37348 -10.8333 45.4236 # generation 57: best score out of 40: T0136.try1 60.6511 cost/residue, 108 clashes 0.0574013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 228 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 226 ## OptSubtree 376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= -0.474731 -0.752348 -0.366863 -0.272056 20.6932 -43.4402 -56.0015 # jumping subtree containing T0136:G 42 (41) jump= 0.381217 -0.252409 0.0473522 -0.888099 127.244 200.187 -36.9861 # jumping subtree containing T0136:F 59 (58) jump= 0.496842 0.433537 -0.649458 0.37868 155.959 64.1357 -88.6603 # generation 58: best score out of 40: T0136.try1 60.651 cost/residue, 108 clashes 0.0574013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 236 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 234 ## OptSubtree 387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.118616 0.396276 0.905625 -0.0934816 162.573 -87.8828 65.1721 # jumping subtree containing T0136:E 61 (60) jump= -0.247616 -0.210882 -0.743777 0.583961 213.005 43.2619 127.386 # jumping subtree containing T0136:L 54 (53) jump= 0.327686 0.127219 -0.935438 0.0373162 267.094 16.5206 -67.0206 # jumping subtree containing T0136:R 33 (32) jump= 0.0243897 0.509736 -0.754963 -0.411833 240.85 143.721 0.506335 # generation 59: best score out of 40: T0136.try1 60.6445 cost/residue, 108 clashes 0.0574013 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 238 ## CrossAndInsert 50 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 247 ## OptSubtree 405 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.450026 -0.0128822 -0.885212 0.117093 206.572 -17.3756 -69.1022 # jumping subtree containing T0136:R 33 (32) jump= -0.103373 0.0306021 -0.400107 -0.910105 269.284 -4.82269 5.37215 # jumping subtree containing T0136:R 33 (32) jump= 0.99579 0.0169961 0.0497232 0.0751051 15.551 -24.4144 21.3531 # jumping subtree containing T0136:R 33 (32) jump= -0.888456 -0.438597 0.0978971 -0.0932437 17.6882 -5.84155 -64.5848 # jumping subtree containing T0136:F 59 (58) jump= 0.197111 0.780047 0.475976 0.355134 29.0273 5.23196 -64.677 # jumping subtree containing T0136:R 33 (32) jump= 0.567973 0.533904 0.625402 0.0350101 44.1413 -32.6115 67.7103 # generation 60: best score out of 40: T0136.try1 60.3327 cost/residue, 109 clashes 0.0401798 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 242 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 253 ## OptSubtree 418 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 20 (19) jump= -0.979042 0.139288 -0.148487 -0.00521896 10.1203 -2.0327 49.4912 # jumping subtree containing T0136:A 20 (19) jump= -0.915002 0.151394 0.208144 -0.310689 78.0311 -82.4452 -7.54373 # jumping subtree containing T0136:L 19 (18) jump= -0.0625252 -0.364199 0.915489 0.159154 247.707 92.3512 5.71831 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= 0.999853 0.00396977 -0.00621324 -0.0154781 8.15001 29.6773 -2.55654 # generation 61: best score out of 40: T0136.try1 60.3263 cost/residue, 109 clashes 0.0401799 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 249 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 263 ## OptSubtree 429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 62: best score out of 40: T0136.try1 60.3262 cost/residue, 109 clashes 0.0401798 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 254 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 276 ## OptSubtree 442 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= 0.724754 -0.667557 -0.0635968 0.158287 7.42099 -10.9878 42.9154 # jumping subtree containing T0136:L 54 (53) jump= -0.940416 -0.0662653 -0.302844 0.139687 19.1413 18.9744 90.7331 # jumping subtree containing T0136:G 42 (41) jump= 0.574713 0.431117 -0.452002 -0.528713 148.679 158.277 -48.8562 # generation 63: best score out of 40: T0136.try1 60.326 cost/residue, 109 clashes 0.0401794 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 474 ## TwoFragment 4 ## CrossOver 260 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 283 ## OptSubtree 461 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= -0.307059 0.43504 -0.333287 0.778058 187.866 176.725 -27.7218 # jumping subtree containing T0136:R 33 (32) jump= 0.966439 -0.252535 -0.039679 -0.0254427 -17.1477 16.868 7.45563 # jumping subtree containing T0136:R 33 (32) jump= 0.998423 0.0126362 0.0153697 -0.0524926 11.1076 29.9146 -9.82663 # Removing break before 32 # generation 64: best score out of 40: T0136.try1 60.2906 cost/residue, 114 clashes 0.0379745 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 475 ## TwoFragment 4 ## CrossOver 271 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 288 ## OptSubtree 470 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.806542 -0.253144 0.428257 -0.319382 139.206 -36.124 -116.583 # jumping subtree containing T0136:F 59 (58) jump= 0.630606 -0.0321175 0.763834 0.133647 161.269 -6.76739 172.81 # jumping subtree containing T0136:K 67 (66) jump= -0.986504 0.0586994 0.152578 0.00914421 8.38846 -25.4087 -48.0415 # generation 65: best score out of 40: T0136.try1 60.2906 cost/residue, 114 clashes 0.0379744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 476 ## TwoFragment 4 ## CrossOver 281 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 292 ## OptSubtree 483 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:L 54 (53) jump= 0.399473 -0.255479 0.46845 0.745457 246.609 -5.94818 94.9737 # jumping subtree containing T0136:E 36 (35) jump= -0.999471 0.0217948 0.0176776 0.0164154 -11.5817 -0.365623 23.2825 # jumping subtree containing T0136:L 54 (53) jump= -0.847175 -0.105836 -0.51805 -0.0521405 54.2722 -1.99492 119.957 # jumping subtree containing T0136:A 20 (19) jump= -0.830281 -0.00133621 -0.198935 0.520631 47.5283 128.984 64.7537 # jumping subtree containing T0136:R 33 (32) jump= -0.978291 -0.197509 0.0374276 0.0503626 -13.6519 45.1086 -10.9966 # generation 66: best score out of 40: T0136.try1 60.2906 cost/residue, 114 clashes 0.0379744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 476 ## TwoFragment 4 ## CrossOver 288 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 304 ## OptSubtree 497 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= -0.50793 -0.093306 0.483842 -0.70654 240.824 -47.3335 -56.3903 # jumping subtree containing T0136:E 36 (35) jump= 0.25984 -0.609988 -0.74263 0.0943306 90.7234 -65.524 8.54952 # jumping subtree containing T0136:E 36 (35) jump= -0.976237 0.20045 0.0823541 3.22525e-05 -3.06418 -26.93 22.4228 # jumping subtree containing T0136:E 36 (35) jump= 0.490319 0.667831 0.300175 0.472741 66.7939 -44.0599 -94.7681 # jumping subtree containing T0136:L 54 (53) jump= -0.310263 0.529314 -0.467612 0.63632 155.411 180.343 -26.5063 # jumping subtree containing T0136:E 36 (35) jump= 0.12886 0.454664 0.88126 -0.00752303 162.76 -66.5439 48.8959 # jumping subtree containing T0136:L 54 (53) jump= -0.716891 0.492371 0.461946 0.173906 17.3255 -23.4284 -75.6214 # generation 67: best score out of 40: T0136.try1 60.2906 cost/residue, 114 clashes 0.0379744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 476 ## TwoFragment 4 ## CrossOver 293 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 308 ## OptSubtree 514 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.67545 -0.498835 -0.0942043 -0.534843 53.8668 135.923 -40.9797 # jumping subtree containing T0136:D 60 (59) jump= 0.717187 -0.115141 0.136197 0.673674 169.814 -121.646 39.8223 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:E 36 (35) jump= -0.548657 -0.812605 -0.195471 0.0209611 -17.4101 43.0733 -31.4234 # generation 68: best score out of 40: T0136.try1 60.2906 cost/residue, 114 clashes 0.0379744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 476 ## TwoFragment 4 ## CrossOver 307 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 310 ## OptSubtree 522 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.99902 0.0075257 -0.00995847 0.0424756 8.50164 19.025 -4.50024 # jumping subtree containing T0136:A 1 (0) jump= 0.684268 0.631974 0.343966 0.118634 12.4411 -46.5086 15.6889 # jumping subtree containing T0136:K 77 (76) jump= 0.620372 0.141046 -0.685783 0.353478 203.643 -7.04855 -123.474 # jumping subtree containing T0136:L 54 (53) jump= 0.289165 0.928607 0.0955756 0.211987 15.8797 24.7461 -75.6882 # jumping subtree containing T0136:E 36 (35) jump= -0.0832545 -0.453424 0.795175 -0.393919 237.952 92.4765 -69.0146 # jumping subtree containing T0136:E 36 (35) jump= 0.0331795 -0.146408 -0.988638 -0.00770041 215.266 -8.93327 -17.5644 # jumping subtree containing T0136:A 1 (0) jump= -0.444489 0.462886 -0.190838 -0.742797 180.621 -6.20937 104.769 # generation 69: best score out of 40: T0136.try1 60.2851 cost/residue, 114 clashes 0.0379744 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 477 ## TwoFragment 4 ## CrossOver 319 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 313 ## OptSubtree 530 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= 0.435197 -0.26972 -0.838223 0.187714 188.676 -86.1302 -54.1345 # jumping subtree containing T0136:E 36 (35) jump= 0.607138 0.672475 -0.422997 0.0152799 66.7203 71.4462 -99.4688 # jumping subtree containing T0136:S 58 (57) jump= -0.254633 -0.0975041 0.836669 0.475016 218.154 85.8224 -66.867 # jumping subtree containing T0136:L 54 (53) jump= -0.189626 0.0918862 -0.976968 0.0336428 257.879 40.7667 62.929 # jumping subtree containing T0136:L 54 (53) jump= 0.0756991 0.861802 -0.426116 -0.264559 115.732 175.183 82.2493 # jumping subtree containing T0136:E 36 (35) jump= 0.833401 0.482227 -0.158753 -0.218397 19.1226 113.662 -30.6031 # jumping subtree containing T0136:G 42 (41) jump= -0.731405 0.0580735 -0.67767 -0.0493675 128.748 -19.3316 125.41 # jumping subtree containing T0136:K 77 (76) jump= -0.887375 0.325491 0.299787 -0.129417 18.0611 -51.8626 -29.6002 # jumping subtree containing T0136:E 36 (35) jump= -0.999783 -0.00634042 -0.00940059 -0.0174732 -22.0931 -18.0794 12.4653 # jumping subtree containing T0136:E 36 (35) jump= -0.867248 -0.412623 -0.238011 -0.144826 29.902 -59.5475 2.45066 # jumping subtree containing T0136:A 20 (19) jump= -0.98333 -0.0178975 0.160041 -0.0844346 29.4284 -22.7164 -35.847 # jumping subtree containing T0136:L 54 (53) jump= 0.147959 0.959081 0.0843451 0.226181 7.555 72.2468 -24.7031 # jumping subtree containing T0136:L 54 (53) jump= 0.955106 0.00948513 0.292668 -0.0450391 27.8409 25.7225 51.9634 # jumping subtree containing T0136:E 36 (35) jump= -0.249396 0.220044 -0.642377 0.69046 210.773 150.311 53.8836 # generation 70: best score out of 40: T0136.try1 60.2624 cost/residue, 115 clashes 0.0390362 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 329 ## CrossAndInsert 50 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 317 ## OptSubtree 543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= 0.641825 0.50866 -0.57007 0.0659276 142.227 102.446 -116.447 # jumping subtree containing T0136:A 20 (19) jump= 0.929909 0.0944037 0.355467 0.000529893 0.711361 -4.94543 78.9926 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:L 54 (53) jump= 0.276856 0.397916 -0.307594 0.81878 217.661 54.4261 -66.1651 # jumping subtree containing T0136:L 54 (53) jump= 0.969994 0.174672 0.160738 -0.0525726 -10.588 32.9508 47.5542 # generation 71: best score out of 40: T0136.try1 60.2486 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 334 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 324 ## OptSubtree 560 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= 0.587368 0.0354535 0.808515 0.00672402 155.141 -4.92242 129.369 # jumping subtree containing T0136:E 36 (35) jump= 0.298257 -0.712844 0.0283823 0.634106 107.226 19.7757 133.65 # jumping subtree containing T0136:Q 44 (43) jump= 0.99905 -0.00496882 -0.0382193 -0.0203171 8.22188 17.6657 5.07352 # jumping subtree containing T0136:Q 44 (43) jump= 0.987905 -0.0889286 0.118284 0.0463127 22.0687 -12.311 38.4457 # Removing break moved up 3 to before 38 # generation 72: best score out of 40: T0136.try1 60.2431 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 341 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 331 ## OptSubtree 579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.951676 0.200332 -0.232664 0.00686165 29.8803 10.8793 50.8599 # jumping subtree containing T0136:V 80 (79) jump= 0.811598 -0.353977 0.374815 0.274815 63.5942 -19.0797 143.137 # jumping subtree containing T0136:A 1 (0) jump= 0.629718 -0.387682 -0.0560493 0.670832 163.128 -85.326 91.2134 # jumping subtree containing T0136:A 1 (0) jump= 0.763791 -0.33305 -0.552244 0.0269539 104.32 -54.0402 -87.7434 # jumping subtree containing T0136:L 54 (53) jump= 0.687331 -0.489625 0.233642 0.482964 126.053 -59.9792 129.188 # jumping subtree containing T0136:L 54 (53) jump= -0.935381 -0.305721 0.153657 0.0893668 17.1825 60.4672 -48.1591 # jumping subtree containing T0136:L 54 (53) jump= -0.19384 -0.608755 -0.610821 0.467699 114.077 2.1579 145.875 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:V 80 (79) jump= -0.998241 -0.0243166 0.0122315 0.0526778 -4.19245 -12.0885 -4.77614 # generation 73: best score out of 40: T0136.try1 60.2431 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 346 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 338 ## OptSubtree 600 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.14969 0.936787 -0.06178 0.31017 24.4543 97.4801 -65.71 # jumping subtree containing T0136:V 80 (79) jump= -0.834285 0.264917 -0.181069 -0.448333 94.9559 -40.9888 92.4477 # jumping subtree containing T0136:V 80 (79) jump= 0.978063 -0.0871124 -0.0331419 -0.186293 -27.7257 33.1495 -7.44401 # jumping subtree containing T0136:Q 44 (43) jump= 0.846357 -0.438191 -0.0703936 -0.294469 15.7168 80.3126 -20.7144 # generation 74: best score out of 40: T0136.try1 60.2431 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 350 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 345 ## OptSubtree 622 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.999335 0.00512311 0.00924648 0.0349066 21.1375 -1.61497 -4.81954 # jumping subtree containing T0136:V 80 (79) jump= 0.480633 0.0455721 -0.108331 0.869011 252.422 -48.5765 -18.2527 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:V 80 (79) jump= 0.10857 0.827125 -0.379896 0.399695 83.1885 143.759 -77.5493 # jumping subtree containing T0136:L 54 (53) jump= 0.258841 -0.770492 -0.450733 -0.369029 64.8486 -42.1693 -67.7617 # jumping subtree containing T0136:V 80 (79) jump= -0.0194889 0.199548 -0.400081 -0.89428 264.677 95.3427 26.7363 # jumping subtree containing T0136:G 42 (41) jump= -0.868686 -0.201449 -0.126055 0.434642 -4.72032 108.83 27.7603 # jumping subtree containing T0136:L 54 (53) jump= -0.996372 0.0595707 0.0598362 -0.010649 -3.65007 18.0552 -13.7218 # Removing break moved up 3 to before 38 # generation 75: best score out of 40: T0136.try1 60.2431 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 358 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 345 ## OptSubtree 638 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.996709 0.0648814 -0.0262294 0.0409195 -1.01252 -13.5681 28.8817 # jumping subtree containing T0136:V 80 (79) jump= 0.727702 0.449947 -0.271571 -0.440735 66.266 175.089 -35.463 # jumping subtree containing T0136:V 80 (79) jump= 0.993467 0.00095372 -0.111071 -0.0261894 -13.3954 -8.15934 -24.6699 # jumping subtree containing T0136:V 80 (79) jump= -0.969375 0.00810949 -0.21734 -0.114057 26.1686 -0.570648 54.9478 # jumping subtree containing T0136:V 80 (79) jump= -0.928432 -0.0601379 0.226096 -0.288578 74.2874 -48.4601 -59.1676 # jumping subtree containing T0136:A 20 (19) jump= -0.965683 0.00641678 -0.103399 0.238169 0.884901 72.4085 48.4595 # jumping subtree containing T0136:G 42 (41) jump= 0.267683 0.301682 0.588244 -0.70093 152.504 41.5713 112.142 # jumping subtree containing T0136:E 36 (35) jump= 0.845619 -0.397735 0.354998 0.0266889 48.4099 51.7887 110.727 # generation 76: best score out of 40: T0136.try1 60.2431 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 478 ## TwoFragment 4 ## CrossOver 367 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 345 ## OptSubtree 653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.88906 -0.0126068 -0.202054 0.410595 87.2879 -65.5692 -28.0201 # jumping subtree containing T0136:G 42 (41) jump= -0.583257 0.340929 -0.469461 0.568493 132.654 159.821 79.1271 # jumping subtree containing T0136:V 80 (79) jump= -0.334753 -0.618256 -0.709509 -0.047926 66.5355 -72.1193 55.0256 # jumping subtree containing T0136:V 62 (61) jump= 0.993253 0.0192871 -0.0265377 0.111234 39.346 -30.2819 -7.80394 # jumping subtree containing T0136:E 36 (35) jump= 0.669285 -0.515198 0.239668 -0.478734 22.4725 157.193 25.4512 # jumping subtree containing T0136:A 1 (0) jump= 0.994108 -0.0309811 -0.0101063 0.103376 11.4695 -1.10802 7.38938 # generation 77: best score out of 40: T0136.try1 60.1769 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 375 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 345 ## OptSubtree 668 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.297255 0.1006 0.925315 -0.212863 249.738 -10.4932 -22.4054 # jumping subtree containing T0136:V 80 (79) jump= 0.869554 -0.207038 0.447749 0.023052 51.5186 -8.26812 128.674 # jumping subtree containing T0136:V 80 (79) jump= 0.994487 -0.104393 -0.00906434 0.00399009 -0.541245 -15.3497 -11.0501 # jumping subtree containing T0136:A 20 (19) jump= -0.949595 -0.0618813 -0.152438 0.266838 13.4549 76.139 48.3949 # generation 78: best score out of 40: T0136.try1 60.1769 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 382 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 348 ## OptSubtree 682 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.209506 -0.0508385 -0.527283 -0.821885 242.305 63.7444 -45.8745 # jumping subtree containing T0136:V 80 (79) jump= 0.740473 0.526019 -0.275454 -0.314847 35.2358 121.725 -29.3181 # jumping subtree containing T0136:E 36 (35) jump= 0.285421 0.379301 -0.562753 -0.676739 200.325 149.264 2.59129 # jumping subtree containing T0136:G 42 (41) jump= 0.996841 0.0276168 0.0698314 -0.0258506 -14.2055 26.7831 13.9618 # jumping subtree containing T0136:Q 44 (43) jump= -0.966044 0.128023 -0.131543 0.181838 0.481386 35.7907 37.468 # generation 79: best score out of 40: T0136.try1 60.1768 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 392 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 352 ## OptSubtree 700 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.650542 -0.52811 -0.37199 -0.399398 29.6222 35.9065 -66.0755 # jumping subtree containing T0136:G 42 (41) jump= 0.189965 0.159195 -0.511165 -0.822971 211.239 117.438 -49.3091 # jumping subtree containing T0136:A 20 (19) jump= 0.831978 -0.116015 -0.505813 0.196232 102.3 -53.6672 -77.1095 # jumping subtree containing T0136:G 42 (41) jump= 0.91448 0.00349894 0.280232 -0.291864 16.6716 69.6991 71.4988 # jumping subtree containing T0136:E 36 (35) jump= -0.631389 0.264139 0.642388 -0.344841 120.689 -62.802 -29.0731 # generation 80: best score out of 40: T0136.try1 60.1768 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 396 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 353 ## OptSubtree 719 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.783651 0.60278 0.00228032 -0.150141 36.0554 -1.46287 67.1827 # jumping subtree containing T0136:Q 44 (43) jump= -0.878325 -0.471379 0.0069406 -0.0793634 9.31923 21.9838 -51.9951 # jumping subtree containing T0136:V 80 (79) jump= -0.965376 -0.0324378 0.140587 0.217329 -4.00583 85.4826 -57.8414 # jumping subtree containing T0136:V 80 (79) jump= -0.796719 -0.123946 -0.123371 0.578494 64.3996 141.201 34.9523 # jumping subtree containing T0136:Q 44 (43) jump= 0.998091 0.0220826 -0.0450434 -0.0360171 3.8216 -11.5592 -2.00652 # generation 81: best score out of 40: T0136.try1 60.1768 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 401 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 356 ## OptSubtree 739 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.270297 -0.0562401 0.87813 -0.390722 249.337 18.2572 -17.5464 # jumping subtree containing T0136:V 80 (79) jump= -0.0645857 -0.0243723 0.997501 0.0150367 287.179 15.9271 -14.4482 # jumping subtree containing T0136:Q 44 (43) jump= -0.896018 0.181639 -0.371306 -0.162146 56.2539 -38.6819 79.2187 # jumping subtree containing T0136:V 80 (79) jump= -0.345678 0.259655 0.0139148 -0.901605 241.6 -5.84017 86.0214 # jumping subtree containing T0136:E 36 (35) jump= 0.853336 -0.074546 -0.134873 -0.498066 40.7322 137.575 -51.9094 # jumping subtree containing T0136:V 80 (79) jump= 0.982933 0.016087 0.0947897 -0.156841 -19.8801 52.7204 7.25447 # jumping subtree containing T0136:E 36 (35) jump= 0.418175 -0.0565381 -0.759285 -0.495397 171.668 83.4888 -124.118 # generation 82: best score out of 40: T0136.try1 60.1767 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 414 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 356 ## OptSubtree 750 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 20 (19) jump= -0.965604 0.0658088 0.230368 0.101043 -17.4569 9.30972 -47.9317 # jumping subtree containing T0136:Q 44 (43) jump= -0.0711488 -0.102419 -0.59703 0.792466 212.129 61.0111 59.3364 # jumping subtree containing T0136:V 80 (79) jump= 0.99383 0.0626447 0.0864869 0.0299622 27.6894 -16.5043 15.9014 # jumping subtree containing T0136:A 1 (0) jump= -0.962161 -0.128721 0.181479 0.157295 16.6369 65.1363 -77.1203 # jumping subtree containing T0136:Q 44 (43) jump= -0.89595 0.0718877 -0.238692 -0.367603 62.1083 -78.0202 75.2861 # jumping subtree containing T0136:R 47 (46) jump= 0.151389 0.448319 -0.0974869 0.87555 190.016 40.7388 -114.102 # jumping subtree containing T0136:V 80 (79) jump= -0.22858 0.597221 -0.675164 -0.367739 177.046 121.025 94.757 # jumping subtree containing T0136:E 36 (35) jump= 0.967376 -0.0154778 -0.238307 0.0845843 23.9793 -8.614 -55.7143 # generation 83: best score out of 40: T0136.try1 60.1767 cost/residue, 114 clashes 0.0418901 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 427 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 356 ## OptSubtree 761 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.569683 -0.569231 -0.589362 0.0639475 100.649 -65.9711 29.5255 # jumping subtree containing T0136:E 36 (35) jump= -0.812884 -0.0746681 0.23897 0.525869 13.5895 150.264 -51.2004 # jumping subtree containing T0136:G 74 (73) jump= -0.246344 0.173389 -0.0365866 -0.952844 255.186 -7.27112 29.217 # jumping subtree containing T0136:Q 44 (43) jump= -0.875701 0.153738 -0.35444 -0.289627 98.9594 -47.7416 95.0329 # generation 84: best score out of 40: T0136.try1 60.1767 cost/residue, 114 clashes 0.0418905 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 431 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 357 ## OptSubtree 785 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.808343 0.272999 -0.0879665 0.514116 10.761 134.846 14.3585 # jumping subtree containing T0136:K 43 (42) jump= -0.961605 -0.215569 -0.000664946 -0.16984 8.89663 -13.957 -52.0541 # jumping subtree containing T0136:A 20 (19) jump= 0.943375 -0.205808 -0.156634 -0.207733 12.3287 23.2996 -30.1642 # generation 85: best score out of 40: T0136.try1 60.1767 cost/residue, 114 clashes 0.0418905 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 440 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 357 ## OptSubtree 804 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:V 80 (79) jump= 0.712614 0.253146 -0.647423 -0.094563 125.46 73.1548 -142.245 # jumping subtree containing T0136:G 42 (41) jump= -0.969322 -0.00447043 0.137623 -0.203604 67.074 -54.9997 -48.2933 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:Q 44 (43) jump= -0.891202 0.0929695 -0.0142577 0.443747 -16.6883 135.239 26.2966 # jumping subtree containing T0136:A 20 (19) jump= 0.519952 -0.382335 -0.129589 -0.752779 70.4932 196.747 -65.1238 # jumping subtree containing T0136:V 80 (79) jump= 0.129768 0.258384 0.20492 0.935096 225.918 86.0678 -79.8814 # jumping subtree containing T0136:A 20 (19) jump= -0.983022 -0.0206997 0.133356 0.124317 28.682 48.2497 -42.067 # jumping subtree containing T0136:Q 44 (43) jump= 0.968152 -0.0994465 -0.162033 -0.162901 -1.63184 19.1008 -39.896 # generation 86: best score out of 40: T0136.try1 60.1767 cost/residue, 114 clashes 0.0418905 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 479 ## TwoFragment 4 ## CrossOver 448 ## CrossAndInsert 50 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 357 ## OptSubtree 820 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 75 (74) jump= -0.381873 0.904867 -0.0957783 -0.161912 57.6451 130.448 153.2 # jumping subtree containing T0136:D 55 (54) jump= 0.955946 0.284274 0.0525943 0.0508838 16.8116 -10.2029 -27.717 # jumping subtree containing T0136:Q 44 (43) jump= -0.350098 -0.710716 -0.288719 -0.537545 72.0716 30.3756 -117.168 # jumping subtree containing T0136:A 20 (19) jump= 0.764624 0.44351 -0.227308 0.408633 114.69 24.8888 -137.226 # jumping subtree containing T0136:Q 44 (43) jump= 0.412956 0.164876 0.852052 0.276206 200.051 -63.7526 103.823 # jumping subtree containing T0136:A 1 (0) jump= -0.965546 0.0631055 0.20935 0.141104 0.723731 30.028 -80.27 # generation 87: best score out of 40: T0136.try1 60.1073 cost/residue, 120 clashes 0.0487918 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 480 ## TwoFragment 4 ## CrossOver 458 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 357 ## OptSubtree 832 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.0575416 0.766195 -0.606556 -0.204265 222.775 236.198 137.898 # jumping subtree containing T0136:V 80 (79) jump= 0.727258 -0.178325 -0.306628 -0.587602 61.5803 180.967 -94.7886 # jumping subtree containing T0136:A 1 (0) jump= -0.556838 0.155683 -0.625937 0.523352 174.929 170.557 157.403 # jumping subtree containing T0136:M 75 (74) jump= 0.827645 -0.157462 0.129224 -0.522983 18.3732 168.41 50.4744 # jumping subtree containing T0136:V 16 (15) jump= -0.966527 -0.110996 -0.0116801 0.231018 -10.1319 90.1221 -31.8686 # jumping subtree containing T0136:A 1 (0) jump= -0.396909 -0.360385 0.816129 0.215682 262.896 143.633 -55.2672 # jumping subtree containing T0136:V 80 (79) jump= 0.8504 0.236788 -0.281936 0.375852 160.729 -15.6577 -128.61 # generation 88: best score out of 40: T0136.try1 60.1073 cost/residue, 120 clashes 0.0487918 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 481 ## TwoFragment 4 ## CrossOver 460 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 364 ## OptSubtree 846 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 75 (74) jump= -0.999526 0.028501 0.00331113 -0.0111905 -16.6543 1.98374 7.77001 # jumping subtree containing T0136:G 42 (41) jump= -0.769219 -0.278431 -0.266839 -0.509486 131.196 -58.6704 -34.3096 # jumping subtree containing T0136:Q 44 (43) jump= 0.996255 -0.0418435 -0.0351851 -0.0669883 -18.6654 31.9458 19.5198 # jumping subtree containing T0136:D 60 (59) jump= -0.980762 0.148554 -0.0357128 -0.1215 10.8364 -32.5468 53.79 # generation 89: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 482 ## TwoFragment 4 ## CrossOver 463 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 373 ## OptSubtree 865 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.721243 0.387861 0.572626 0.0383589 35.1702 -5.27914 101.09 # jumping subtree containing T0136:V 80 (79) jump= 0.336926 -0.517564 0.134195 -0.774984 148.75 258.315 -72.1275 # jumping subtree containing T0136:V 80 (79) jump= -0.578272 -0.0910858 -0.322341 -0.743909 246.4 -72.6604 -22.5079 # jumping subtree containing T0136:G 42 (41) jump= 0.12686 -0.713492 -0.414782 0.550265 112.927 25.0233 200.474 # jumping subtree containing T0136:V 80 (79) jump= 0.999653 -0.021816 -0.00845004 0.0121145 0.870251 -30.6872 -9.81501 # jumping subtree containing T0136:V 80 (79) jump= -0.971313 0.188353 -0.0971602 0.107867 -10.4913 32.9158 76.4187 # jumping subtree containing T0136:V 80 (79) jump= 0.999051 0.0333019 0.020017 -0.0196704 -5.23285 1.93367 11.8525 # jumping subtree containing T0136:A 20 (19) jump= -0.546987 0.724329 0.339033 -0.247406 28.1103 -40.8757 122.371 # jumping subtree containing T0136:Q 44 (43) jump= -0.0422906 -0.183884 -0.975291 0.114917 228.429 -43.563 81.3879 # generation 90: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 469 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 378 ## OptSubtree 881 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.354835 -0.104118 0.927853 0.0483815 300.789 58.0231 -55.8871 # jumping subtree containing T0136:L 53 (52) jump= 0.999877 -0.00510372 0.0105538 -0.0104414 5.48494 -9.0169 11.5934 # jumping subtree containing T0136:V 80 (79) jump= -0.499529 0.387238 -0.0730854 -0.771477 248.004 -0.248537 131.107 # generation 91: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 470 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 382 ## OptSubtree 905 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.853316 -0.438294 -0.193344 -0.205837 -25.5156 46.6943 -34.244 # jumping subtree containing T0136:G 42 (41) jump= -0.1829 0.766087 -0.276031 -0.550877 174.429 201.441 169.529 # jumping subtree containing T0136:Q 44 (43) jump= -0.439878 -0.201825 0.464693 -0.741508 298.174 68.1327 -26.6683 # jumping subtree containing T0136:V 80 (79) jump= 0.0709943 0.365127 0.279315 -0.885226 237.842 145.935 132.829 # generation 92: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 475 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 385 ## OptSubtree 921 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.440967 0.14123 0.885836 -0.0299385 198.987 -43.0702 -38.2438 # jumping subtree containing T0136:R 33 (32) jump= -0.317368 0.473017 0.627354 0.530998 118.468 -2.60001 -127.685 # jumping subtree containing T0136:V 80 (79) jump= -0.191317 0.253814 0.247871 -0.91517 329.171 106.138 123.302 # generation 93: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 482 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 385 ## OptSubtree 938 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.967969 -0.119798 0.219607 -0.0213895 -11.2102 13.6822 99.9368 # jumping subtree containing T0136:V 80 (79) jump= 0.620961 -0.428586 0.545811 0.364434 184.245 17.3807 188.692 # jumping subtree containing T0136:G 42 (41) jump= 0.597752 -0.152463 0.556422 -0.556635 98.2667 159.973 165.418 # generation 94: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 490 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 385 ## OptSubtree 954 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.00410363 -0.848199 0.466046 -0.251678 156.572 277.906 31.2644 # jumping subtree containing T0136:R 33 (32) jump= 0.98156 0.0653348 0.170225 -0.0573962 -26.2571 22.3208 67.7199 # jumping subtree containing T0136:Q 44 (43) jump= 0.893172 -0.29575 -0.27665 0.195552 58.0351 -50.1049 -0.933468 # jumping subtree containing T0136:V 80 (79) jump= 0.718343 0.286424 -0.563526 -0.290489 156.084 161.377 -113.967 # jumping subtree containing T0136:V 80 (79) jump= 0.120862 -0.257123 -0.824752 -0.488942 229.902 -26.9804 -94.0239 # generation 95: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 498 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 385 ## OptSubtree 970 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.85478 -0.47303 -0.0923876 0.192508 -11.2301 87.292 13.8342 # generation 96: best score out of 40: T0136.try1 59.9383 cost/residue, 119 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 484 ## TwoFragment 4 ## CrossOver 506 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 385 ## OptSubtree 986 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 20 (19) jump= 0.995534 0.027706 -0.0505928 0.0747332 16.3716 -10.6334 -20.9432 # jumping subtree containing T0136:L 50 (49) jump= -0.987333 0.0961371 -0.0305728 0.12246 -0.858946 19.6504 26.2235 # jumping subtree containing T0136:V 80 (79) jump= 0.871007 0.125327 -0.385325 -0.277784 40.8304 93.6204 -124.252 # generation 97: best score out of 40: T0136.try1 59.9373 cost/residue, 117 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 485 ## TwoFragment 4 ## CrossOver 514 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 385 ## OptSubtree 1001 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.469091 -0.287855 0.594578 -0.586149 260.7 50.9964 -65.6817 # jumping subtree containing T0136:E 17 (16) jump= -0.991151 -0.0763551 -0.0667988 -0.0856035 -7.87742 -34.8607 -3.99757 # jumping subtree containing T0136:V 80 (79) jump= -0.97355 -0.0722876 -0.167232 0.137873 -11.0035 35.7799 47.9693 # jumping subtree containing T0136:V 80 (79) jump= 0.867793 -0.356841 -0.323551 0.122129 61.7115 -83.8822 4.14974 # jumping subtree containing T0136:V 80 (79) jump= 0.734969 -0.252656 -0.118889 -0.61794 30.2532 171.663 -38.9478 # jumping subtree containing T0136:V 62 (61) jump= 0.971887 -0.115842 -0.123941 -0.163261 -11.367 56.9893 -17.9396 # jumping subtree containing T0136:G 42 (41) jump= 0.383975 -0.228965 -0.682389 0.578346 275.191 -30.8511 62.664 # generation 98: best score out of 40: T0136.try1 59.9373 cost/residue, 117 clashes 0.0640027 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 485 ## TwoFragment 4 ## CrossOver 523 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 386 ## OptSubtree 1020 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 75 (74) jump= -0.990616 -0.119198 0.0634658 -0.0210896 21.6888 25.3466 -20.7299 # jumping subtree containing T0136:R 33 (32) jump= 0.990546 -0.0563271 -0.0229853 -0.122954 -15.8659 12.739 -11.4054 # jumping subtree containing T0136:M 75 (74) jump= -0.396323 0.120557 -0.90791 0.063977 254.102 20.5546 184.188 # jumping subtree containing T0136:M 75 (74) jump= 0.95488 -0.00678463 0.000160972 0.296916 75.5363 -67.3132 13.9933 # jumping subtree containing T0136:M 75 (74) jump= 0.540299 -0.653905 -0.373561 0.375417 112.111 -70.7755 111.118 # jumping subtree containing T0136:V 80 (79) jump= -0.163462 0.433032 -0.471389 0.750704 214.575 262.446 5.37983 # generation 99: best score out of 40: T0136.try1 59.8586 cost/residue, 117 clashes 0.0795604 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 486 ## TwoFragment 4 ## CrossOver 535 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 387 ## OptSubtree 1037 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 17 (16) jump= -0.904775 -0.314358 -0.14635 -0.247269 60.4019 -51.8099 -21.0324 # jumping subtree containing T0136:M 75 (74) jump= -0.956047 0.141078 0.0420798 -0.253576 63.5176 -51.1886 24.332 # jumping subtree containing T0136:N 5 (4) jump= 0.803399 0.490173 0.0885327 0.326254 37.5999 -17.02 -84.0126 # generation 100: best score out of 40: T0136.try1 59.8586 cost/residue, 117 clashes 0.0795604 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 486 ## TwoFragment 4 ## CrossOver 544 ## CrossAndInsert 50 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 390 ## OptSubtree 1049 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1401798186.pdb -s /projects/compbio/tmp/to_scwrl_1401798186.seq -o /projects/compbio/tmp/from_scwrl_1401798186.pdb -a /projects/compbio/tmp/from_scwrl_1401798186_a.pdb -b /projects/compbio/tmp/from_scwrl_1401798186_b.pdb > /projects/compbio/tmp/scwrl_1401798186.log # T0136.try1-scwrl 60.4063 cost/residue 117 clashes 0.0795604 breaks # iteration 6 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 71.1417 cost/residue, 99 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 18 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## 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 70.7942 cost/residue, 113 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 30 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 2 ## ReduceClash 2 ## 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 70.1575 cost/residue, 109 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 27 ## InsertFragment 44 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 2 ## ReduceClash 2 ## 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-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 69.7196 cost/residue, 87 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 59 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1 69.493 cost/residue, 125 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1 69.0231 cost/residue, 128 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 40 ## InsertFragment 95 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 6 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.7055 cost/residue, 113 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 110 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 9 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # generation 8: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.2367 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 48 ## InsertFragment 124 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 9 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 7 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1 68.1242 cost/residue, 126 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 50 ## InsertFragment 142 ## TwoFragment 6 ## CrossOver 2 ## CrossAndInsert 9 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 9 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1 67.0461 cost/residue, 108 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 157 ## TwoFragment 6 ## CrossOver 3 ## CrossAndInsert 9 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 10 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1 66.6683 cost/residue, 102 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 60 ## InsertFragment 173 ## TwoFragment 6 ## CrossOver 3 ## CrossAndInsert 11 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 12 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # generation 12: best score out of 40: T0136.try1 66.1816 cost/residue, 133 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 192 ## TwoFragment 6 ## CrossOver 3 ## CrossAndInsert 11 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 14 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1 65.7572 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 212 ## TwoFragment 6 ## CrossOver 4 ## CrossAndInsert 13 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 15 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1 65.7572 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 226 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 17 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 17 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.853527 0.112171 0.0812129 0.502308 10.1977 -23.9404 21.0111 # generation 15: best score out of 40: T0136.try1 65.4458 cost/residue, 129 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 240 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 20 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 18 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.775203 -0.0469015 -0.628803 0.0383035 23.229 12.3832 0.536217 # generation 16: best score out of 40: T0136.try1 65.2151 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 257 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 21 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 19 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1 64.9684 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 268 ## TwoFragment 6 ## CrossOver 6 ## CrossAndInsert 23 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 22 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1 64.4789 cost/residue, 134 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 279 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 24 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 26 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 45 # generation 19: best score out of 40: T0136.try1 64.4789 cost/residue, 134 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 288 ## TwoFragment 6 ## CrossOver 8 ## CrossAndInsert 26 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 32 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= -0.146816 -0.187251 0.970668 0.0344233 41.8151 -7.7338 2.9716 # generation 20: best score out of 40: T0136.try1 64.3813 cost/residue, 164 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 292 ## TwoFragment 6 ## CrossOver 8 ## CrossAndInsert 28 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 42 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 43 (42) jump= -0.606378 -0.611946 -0.4718 -0.187705 2.6765 -24.7375 16.2419 # generation 21: best score out of 40: T0136.try1 64.3175 cost/residue, 165 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 297 ## TwoFragment 6 ## CrossOver 13 ## CrossAndInsert 29 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 45 ## OptSubtree 43 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.999855 -0.0088387 0.0110831 -0.00942921 -0.0285442 17.8995 0.489321 # generation 22: best score out of 40: T0136.try1 64.3175 cost/residue, 165 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 303 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 31 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 54 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # generation 23: best score out of 40: T0136.try1 64.1124 cost/residue, 159 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 79 ## InsertFragment 307 ## TwoFragment 6 ## CrossOver 18 ## CrossAndInsert 32 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 60 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 24: best score out of 40: T0136.try1 63.9756 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 80 ## InsertFragment 311 ## TwoFragment 6 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 69 ## OptSubtree 61 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 43 (42) jump= 0.366097 -0.0651081 -0.531437 -0.761123 7.89427 -7.96169 26.0818 # jumping subtree containing T0136:T 70 (69) jump= -0.890456 0.391798 0.173625 0.153087 -2.7352 -7.46326 -29.4298 # generation 25: best score out of 40: T0136.try1 63.9756 cost/residue, 158 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 82 ## InsertFragment 313 ## TwoFragment 6 ## CrossOver 26 ## CrossAndInsert 32 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 75 ## OptSubtree 70 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.373416 0.28115 -0.665529 -0.581881 9.75126 -40.6111 6.23319 # Removing break before 44 # generation 26: best score out of 40: T0136.try1 63.7331 cost/residue, 173 clashes 0.0338993 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 82 ## InsertFragment 316 ## TwoFragment 6 ## CrossOver 27 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 85 ## OptSubtree 77 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 5 (4) jump= 0.467796 -0.182064 -0.438613 -0.745412 24.1963 -10.0895 9.03288 # jumping subtree containing T0136:N 5 (4) jump= 0.873354 0.108691 0.457781 0.125998 5.75582 13.6929 -1.48802 # jumping subtree containing T0136:S 58 (57) jump= 0.0580954 -0.967982 -0.200237 -0.139786 5.30772 12.7246 2.00058 # jumping subtree containing T0136:T 45 (44) jump= 0.465208 0.101503 0.138139 0.868445 -2.16159 -27.1877 15.6973 # Removing break before 47 # generation 27: best score out of 40: T0136.try1 63.7331 cost/residue, 173 clashes 0.0338993 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 82 ## InsertFragment 319 ## TwoFragment 6 ## CrossOver 28 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 94 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.915211 -0.0956599 -0.334651 -0.203091 24.1891 -8.07138 17.3189 # Removing break before 63 # jumping subtree containing T0136:E 61 (60) jump= -0.505827 -0.00493385 0.639447 -0.578984 -19.3144 4.83435 -0.122344 # generation 28: best score out of 40: T0136.try1 63.4612 cost/residue, 170 clashes 0.0338993 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 83 ## InsertFragment 322 ## TwoFragment 6 ## CrossOver 28 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 107 ## OptSubtree 94 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 20 (19) jump= -0.652609 0.147271 0.47537 0.571346 56.1819 17.6912 -20.7075 # Removing break before 40 # jumping subtree containing T0136:E 2 (1) jump= -0.368649 -0.850335 -0.228207 0.298244 3.85929 -46.5892 -11.7794 # generation 29: best score out of 40: T0136.try1 63.3614 cost/residue, 165 clashes 0.0338992 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 84 ## InsertFragment 322 ## TwoFragment 6 ## CrossOver 29 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 115 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.0463182 0.150835 -0.871009 0.465238 2.59208 -11.3958 -58.8013 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.679685 0.326217 0.388517 0.529779 63.913 -27.4484 -2.98592 # generation 30: best score out of 40: T0136.try1 63.1124 cost/residue, 163 clashes 0.0338993 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 84 ## InsertFragment 324 ## TwoFragment 6 ## CrossOver 32 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 125 ## OptSubtree 118 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= -0.614882 0.26191 0.0696364 -0.740591 23.4164 -26.0265 -14.5732 # generation 31: best score out of 40: T0136.try1 63.1124 cost/residue, 163 clashes 0.0338992 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 84 ## InsertFragment 326 ## TwoFragment 6 ## CrossOver 33 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 135 ## OptSubtree 130 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= 0.182442 -0.922994 -0.257044 -0.220739 -13.3214 -16.1687 -28.9565 # jumping subtree containing T0136:A 1 (0) jump= 0.268967 0.51906 0.810877 -0.02667 60.5524 -25.3879 33.7902 # Removing break before 40 # generation 32: best score out of 40: T0136.try1 62.9254 cost/residue, 191 clashes 0.0338993 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 328 ## TwoFragment 6 ## CrossOver 36 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 145 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.0382696 -0.877087 -0.212862 0.428886 22.23 -39.0804 -36.3359 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.690364 0.642709 -0.321524 -0.0833367 -23.5684 -16.6449 -12.5436 # Removing break before 40 # generation 33: best score out of 40: T0136.try1 62.9254 cost/residue, 191 clashes 0.0338991 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 328 ## TwoFragment 6 ## CrossOver 37 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 156 ## OptSubtree 156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.840416 -0.51191 -0.153637 -0.0896872 5.97238 -62.0882 8.79864 # Removing break before 40 # jumping subtree containing T0136:H 39 (38) jump= 0.95901 0.04022 -0.28033 -0.00982612 7.41324 0.457026 -5.27675 # jumping subtree containing T0136:A 1 (0) jump= 0.999683 0.00193379 -0.00845436 0.0236158 3.29756 -5.50134 -25.5685 # jumping subtree containing T0136:T 45 (44) jump= -0.0761925 0.179742 0.870091 -0.45258 20.2107 -43.2533 -33.463 # jumping subtree containing T0136:A 1 (0) jump= 0.0788925 0.497057 0.864123 -0.00126326 80.0087 -45.8346 -24.9687 # jumping subtree containing T0136:A 1 (0) jump= -0.999194 0.028741 -0.00995413 0.0262075 -4.06413 26.506 -1.7514 # jumping subtree containing T0136:Q 41 (40) jump= 0.80211 -0.258829 -0.00396483 -0.538156 34.4539 44.2325 -25.5227 # generation 34: best score out of 40: T0136.try1 62.9254 cost/residue, 191 clashes 0.0338991 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 37 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 167 ## OptSubtree 171 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 18 (17) jump= -0.303863 0.15828 0.27963 0.896896 56.6517 -40.4483 12.0075 # generation 35: best score out of 40: T0136.try1 62.9254 cost/residue, 191 clashes 0.0338991 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 38 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 180 ## OptSubtree 183 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:T 71 (70) jump= 0.159195 -0.00162586 -0.381447 -0.910578 13.503 21.4376 -22.9024 # jumping subtree containing T0136:G 42 (41) jump= 0.970381 -0.18603 0.0937382 -0.12234 10.1298 -0.338971 -12.0683 # jumping subtree containing T0136:Q 41 (40) jump= 0.818648 0.1425 -0.0570062 -0.553408 16.437 17.2782 14.4793 # generation 36: best score out of 40: T0136.try1 62.6953 cost/residue, 204 clashes 0.0862419 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 332 ## TwoFragment 6 ## CrossOver 39 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 187 ## OptSubtree 198 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 53 (52) jump= 0.766316 0.350803 -0.469433 -0.263306 4.69047 1.09057 3.99619 # jumping subtree containing T0136:A 1 (0) jump= -0.906176 -0.0929302 0.261916 0.318761 4.89039 28.3927 -4.88731 # generation 37: best score out of 40: T0136.try1 62.6953 cost/residue, 204 clashes 0.0862419 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 333 ## TwoFragment 6 ## CrossOver 41 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 197 ## OptSubtree 209 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= 0.341671 0.465449 -0.542045 -0.610578 29.6227 31.9778 18.8965 # jumping subtree containing T0136:G 42 (41) jump= 0.961817 0.149659 0.228317 0.0195276 40.2347 -10.6413 8.93021 # generation 38: best score out of 40: T0136.try1 62.6644 cost/residue, 202 clashes 0.085802 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 334 ## TwoFragment 6 ## CrossOver 41 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 213 ## OptSubtree 223 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= 0.864661 0.0706591 -0.491557 0.075771 2.65839 -7.16778 -15.713 # generation 39: best score out of 40: T0136.try1 62.6644 cost/residue, 202 clashes 0.085802 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 334 ## TwoFragment 6 ## CrossOver 43 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 223 ## OptSubtree 233 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 40: best score out of 40: T0136.try1 62.6069 cost/residue, 199 clashes 0.0862419 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 6 ## CrossOver 44 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 232 ## OptSubtree 246 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= -0.951172 -0.119395 -0.15947 -0.235769 3.60649 -28.5271 18.9402 # generation 41: best score out of 40: T0136.try1 62.5919 cost/residue, 202 clashes 0.0858019 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 336 ## TwoFragment 6 ## CrossOver 45 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 239 ## OptSubtree 262 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.70376 0.674119 0.00376739 0.224214 7.59928 16.1998 -9.28619 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= 0.896833 0.256892 -0.276734 0.230468 -24.2496 -25.7476 -20.3625 # jumping subtree containing T0136:R 34 (33) jump= -0.224206 0.662342 0.428918 0.571895 9.25338 5.99411 -53.2202 # jumping subtree containing T0136:A 1 (0) jump= -0.94557 -0.11217 0.165576 0.256709 0.421956 -16.4621 -24.5797 # generation 42: best score out of 40: T0136.try1 62.4738 cost/residue, 206 clashes 0.0862419 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 337 ## TwoFragment 6 ## CrossOver 48 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 251 ## OptSubtree 276 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # generation 43: best score out of 40: T0136.try1 62.4738 cost/residue, 206 clashes 0.0862419 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 6 ## CrossOver 48 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 266 ## OptSubtree 286 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= -0.677926 0.684205 -0.25259 -0.0920787 20.6484 10.9916 -23.9388 # Removing break before 40 # jumping subtree containing T0136:L 50 (49) jump= 0.425197 0.158349 -0.309421 0.835698 -7.25058 -34.8518 -40.9161 # generation 44: best score out of 40: T0136.try1 62.1622 cost/residue, 214 clashes 0.11455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 51 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 275 ## OptSubtree 301 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= -0.763817 -0.590739 0.19134 0.176067 -26.5438 -27.7143 -25.1346 # jumping subtree containing T0136:L 50 (49) jump= -0.313493 -0.0733271 0.857259 -0.401811 -0.415746 -9.51727 -60.2252 # Removing break before 40 # jumping subtree containing T0136:D 60 (59) jump= 0.800616 -0.472602 0.269133 0.251452 -10.4495 -24.4882 -24.9704 # generation 45: best score out of 40: T0136.try1 62.1622 cost/residue, 214 clashes 0.11455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 52 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 282 ## OptSubtree 316 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 53 (52) jump= -0.132956 0.819774 0.323336 -0.453594 14.9124 -20.6748 -44.0876 # jumping subtree containing T0136:L 50 (49) jump= 0.866762 0.337703 0.250402 -0.268288 19.158 9.37576 27.0613 # generation 46: best score out of 40: T0136.try1 62.1622 cost/residue, 214 clashes 0.11455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 55 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 292 ## OptSubtree 331 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:A 46 (45) jump= 0.0394256 -0.203682 -0.77216 -0.600607 -17.2756 5.49757 -3.79866 # generation 47: best score out of 40: T0136.try1 62.1622 cost/residue, 214 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 55 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 305 ## OptSubtree 341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= -0.791221 0.158236 -0.111213 0.58014 28.4239 21.0067 -20.4457 # Removing break before 40 # Removing break before 40 # generation 48: best score out of 40: T0136.try1 61.8144 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 55 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 318 ## OptSubtree 350 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:N 52 (51) jump= 0.784465 -0.59632 -0.017116 -0.169483 -1.40619 11.9633 4.9764 # jumping subtree containing T0136:L 53 (52) jump= 0.818299 -0.214951 -0.373423 -0.380444 9.76163 24.2223 -33.0425 # jumping subtree containing T0136:R 34 (33) jump= -0.99803 -0.0448448 0.0432159 -0.00757324 -4.72814 9.40335 5.03846 # jumping subtree containing T0136:A 46 (45) jump= 0.446525 0.0725942 -0.776958 -0.437814 -42.6739 -6.76965 -30.0445 # jumping subtree containing T0136:N 52 (51) jump= 0.876332 -0.432138 -0.0934045 0.191243 9.38001 0.47059 -15.9128 # generation 49: best score out of 40: T0136.try1 61.8144 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 56 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 328 ## OptSubtree 363 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= -0.999847 0.00612105 0.0119877 -0.0111443 -3.93801 -20.623 -18.5923 # jumping subtree containing T0136:A 46 (45) jump= 0.114197 -0.123862 0.324376 -0.930805 -30.7202 -78.5208 -34.3498 # jumping subtree containing T0136:A 46 (45) jump= -0.993861 -0.0563561 -0.0952014 0.000814023 -0.280623 -4.24762 28.6631 # jumping subtree containing T0136:R 34 (33) jump= 0.491601 -0.490545 -0.718627 0.0356325 -41.2008 26.4457 -47.7094 # jumping subtree containing T0136:A 46 (45) jump= -0.891982 -0.249692 0.374716 0.0401178 -28.859 -49.6037 22.1467 # Removing break before 40 # generation 50: best score out of 40: T0136.try1 61.8144 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 57 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 346 ## OptSubtree 376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.969626 0.187218 -0.125144 -0.0954638 -35.1344 -0.00737 5.19565 # jumping subtree containing T0136:L 53 (52) jump= -0.820863 -0.552248 0.0270212 -0.143094 -2.35372 -28.1664 5.05338 # jumping subtree containing T0136:A 46 (45) jump= -0.664162 0.732597 -0.0681833 0.132442 -8.44424 -12.342 -47.191 # jumping subtree containing T0136:N 52 (51) jump= -0.0966237 -0.0845026 0.285453 0.949758 8.58906 -9.75888 13.1678 # jumping subtree containing T0136:E 61 (60) jump= -0.982953 -0.12514 0.108289 0.0801056 -35.1648 -2.43604 -1.52758 # jumping subtree containing T0136:Q 41 (40) jump= -0.22947 -0.448507 -0.723933 0.47128 3.34141 -59.3958 -80.9629 # jumping subtree containing T0136:A 1 (0) jump= -0.221936 -0.536731 0.521239 0.625279 -32.3463 10.9737 -45.3196 # generation 51: best score out of 40: T0136.try1 61.8144 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 60 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 351 ## OptSubtree 392 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 39 (38) jump= -0.811606 0.35919 -0.403264 -0.222836 44.6601 53.9342 -43.6471 # Removing break before 40 # jumping subtree containing T0136:N 52 (51) jump= -0.687467 0.445034 -0.380856 0.429281 60.7074 -8.2833 -86.0357 # jumping subtree containing T0136:A 46 (45) jump= 0.912121 -0.368482 0.177748 0.0257087 7.48821 20.5672 -51.9917 # generation 52: best score out of 40: T0136.try1 61.8144 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 63 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 358 ## OptSubtree 406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.102678 0.0300379 -0.992807 -0.0537459 -1.34364 -3.75337 -62.1357 # jumping subtree containing T0136:F 65 (64) jump= -0.640007 -0.597155 0.469024 -0.117528 -42.5293 -40.6466 -74.9832 # jumping subtree containing T0136:A 46 (45) jump= -0.222452 -0.71364 -0.525895 -0.405793 64.114 -47.5478 -111.805 # jumping subtree containing T0136:A 1 (0) jump= 0.0549088 -0.230674 0.940892 -0.24186 22.8986 -1.99457 -71.1572 # jumping subtree containing T0136:M 75 (74) jump= -0.666038 -0.0698675 0.741025 0.0489192 -35.6574 3.20742 -84.7567 # jumping subtree containing T0136:A 46 (45) jump= -0.289683 -0.195136 -0.91668 -0.194174 66.6357 -8.23906 -107.674 # generation 53: best score out of 40: T0136.try1 61.8144 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 65 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 364 ## OptSubtree 421 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.477727 -0.0323718 0.0360551 -0.877171 6.05777 -27.6593 -24.0867 # jumping subtree containing T0136:N 52 (51) jump= 0.821984 -0.379706 0.0589376 0.420348 -25.5935 48.3473 -47.4292 # jumping subtree containing T0136:N 52 (51) jump= 0.463824 0.102996 -0.866932 -0.150624 -24.7476 27.9112 -33.2783 # jumping subtree containing T0136:A 1 (0) jump= -0.797148 0.18999 0.397638 0.412726 1.26675 25.5224 -46.3808 # jumping subtree containing T0136:R 34 (33) jump= 0.338409 -0.409093 0.372936 0.760948 -16.223 37.111 -11.8641 # jumping subtree containing T0136:A 46 (45) jump= 0.859985 -0.340902 0.00960715 0.37963 -18.8599 43.7583 -10.0944 # generation 54: best score out of 40: T0136.try1 61.8144 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 65 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 373 ## OptSubtree 436 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= -0.0163501 -0.0586663 -0.0980933 0.993312 -13.1885 -86.9144 18.4636 # jumping subtree containing T0136:Q 41 (40) jump= -0.589427 -0.296787 0.751328 -0.00075472 -71.9529 -20.7861 -62.7255 # jumping subtree containing T0136:A 1 (0) jump= -0.40731 0.147627 0.330853 0.838356 26.9944 8.77407 -0.595092 # jumping subtree containing T0136:Q 41 (40) jump= 0.950485 0.197516 -0.228903 -0.0718927 -29.0568 -3.8941 11.9186 # jumping subtree containing T0136:A 46 (45) jump= -0.0945157 0.381944 0.0736451 -0.916385 -48.369 -27.3249 -39.8765 # jumping subtree containing T0136:V 25 (24) jump= -0.63601 0.71024 0.212783 0.213948 36.6776 62.57 -117.675 # Removing break before 40 # jumping subtree containing T0136:A 46 (45) jump= -0.85345 0.0803372 -0.4335 -0.277934 51.5697 2.62745 -10.4256 # jumping subtree containing T0136:A 46 (45) jump= 0.393572 0.312081 -0.860017 -0.0898719 -70.0598 -11.3651 -93.8999 # generation 55: best score out of 40: T0136.try1 61.8143 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 65 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 380 ## OptSubtree 452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= 0.497054 -0.39329 -0.571182 -0.521547 27.9105 95.3524 -118.925 # jumping subtree containing T0136:Q 41 (40) jump= -0.428434 -0.693248 0.548122 0.188188 -70.6832 -50.2553 -62.2647 # jumping subtree containing T0136:Q 41 (40) jump= -0.783975 0.00927949 0.534451 -0.315689 -55.1452 -39.0164 -23.7762 # jumping subtree containing T0136:Q 41 (40) jump= 0.985115 0.0531879 -0.0650669 -0.149956 -4.77833 -16.5999 -20.2005 # generation 56: best score out of 40: T0136.try1 61.8143 cost/residue, 196 clashes 0.114549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 66 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 385 ## OptSubtree 469 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.554509 -0.521687 -0.13833 0.633425 -47.6821 -13.177 -60.3696 # jumping subtree containing T0136:N 52 (51) jump= 0.576519 -0.310441 0.728198 0.202432 74.3375 60.1083 -105.898 # generation 57: best score out of 40: T0136.try1 61.5318 cost/residue, 194 clashes 0.0984914 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 68 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 394 ## OptSubtree 481 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:A 46 (45) jump= 0.0127996 0.32163 -0.941997 0.0950423 46.2849 -24.723 -194.401 # jumping subtree containing T0136:V 25 (24) jump= 0.345255 0.554577 0.698747 -0.291542 59.924 -102.149 -157.413 # jumping subtree containing T0136:L 72 (71) jump= 0.898444 -0.191298 0.0019797 0.395222 -23.0953 10.6451 -13.5617 # jumping subtree containing T0136:Q 41 (40) jump= 0.688226 0.168155 -0.539301 0.455218 -76.7561 -54.711 -51.5745 # jumping subtree containing T0136:A 46 (45) jump= -0.957155 0.0712811 -0.266334 0.0885465 49.6683 9.14463 -34.099 # generation 58: best score out of 40: T0136.try1 61.5318 cost/residue, 194 clashes 0.0984914 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 73 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 400 ## OptSubtree 492 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.97003 0.0261662 -0.227034 0.0825354 -24.6532 -24.9035 -20.1027 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= -0.538946 0.259064 -0.0394104 0.800544 75.9683 57.8802 -19.3721 # generation 59: best score out of 40: T0136.try1 61.5317 cost/residue, 194 clashes 0.0984915 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 74 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 414 ## OptSubtree 510 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 59 (58) jump= -0.136076 -0.316986 0.175717 -0.922023 0.210016 -91.9664 -23.4603 # Removing break before 40 # jumping subtree containing T0136:N 52 (51) jump= -0.844647 0.169636 0.00106914 -0.507734 -50.1744 19.1826 -9.44378 # generation 60: best score out of 40: T0136.try1 61.5317 cost/residue, 194 clashes 0.0984915 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 78 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 417 ## OptSubtree 526 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= -0.925103 0.139866 0.149175 -0.319951 -58.3055 21.9103 -7.03404 # jumping subtree containing T0136:Q 41 (40) jump= -0.366683 0.670812 -0.235693 -0.600004 -56.8563 27.2639 -56.1733 # jumping subtree containing T0136:N 52 (51) jump= 0.77032 -0.0365102 -0.366057 -0.520842 -59.6656 61.2581 -48.76 # jumping subtree containing T0136:Q 41 (40) jump= 0.280693 -0.0556874 -0.344909 -0.893951 45.5624 80.373 -32.1992 # jumping subtree containing T0136:F 73 (72) jump= 0.211627 0.671758 0.356495 0.613895 68.7611 15.0825 -83.5346 # generation 61: best score out of 40: T0136.try1 61.5317 cost/residue, 194 clashes 0.0984915 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 80 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 423 ## OptSubtree 540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= 0.989414 -0.000603736 0.144004 -0.0179504 29.4664 19.0428 14.6492 # jumping subtree containing T0136:A 1 (0) jump= -0.749873 0.46568 0.469523 -0.0195549 -68.9132 69.1523 -52.0861 # jumping subtree containing T0136:Q 41 (40) jump= -0.331778 0.689619 -0.421176 -0.486784 -71.822 12.7808 -99.7395 # jumping subtree containing T0136:D 60 (59) jump= -0.891315 0.132879 -0.186496 0.391306 49.6813 -12.9578 -6.98687 # jumping subtree containing T0136:Q 44 (43) jump= 0.394343 -0.387867 -0.556569 -0.619906 2.86523 120.413 -89.0153 # jumping subtree containing T0136:D 60 (59) jump= 0.812864 0.524044 0.188541 -0.170536 14.4128 -113.651 -44.2158 # jumping subtree containing T0136:D 60 (59) jump= -0.888192 0.1301 0.0603208 0.43652 47.8444 9.68896 -13.3151 # jumping subtree containing T0136:L 8 (7) jump= -0.981368 0.153733 0.0912592 -0.0703961 -31.6854 2.65295 1.71765 # generation 62: best score out of 40: T0136.try1 61.5317 cost/residue, 194 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 89 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 428 ## OptSubtree 548 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= 0.493982 -0.542569 0.362157 0.574841 -54.5452 32.4015 -62.0811 # jumping subtree containing T0136:D 60 (59) jump= -0.666562 0.5818 0.276365 -0.375267 -57.0387 34.5976 -93.6634 # Removing break before 40 # jumping subtree containing T0136:R 69 (68) jump= -0.19896 0.328273 0.284155 -0.878583 -58.2669 -57.6174 -36.3361 # generation 63: best score out of 40: T0136.try1 61.5317 cost/residue, 194 clashes 0.0984912 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 92 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 436 ## OptSubtree 560 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= -0.623472 0.756563 0.196951 0.0102573 -40.0422 80.4081 -126.44 # jumping subtree containing T0136:T 70 (69) jump= -0.993268 0.0350332 -0.0382104 -0.103588 -3.45234 -15.1178 -1.4096 # jumping subtree containing T0136:Q 41 (40) jump= -0.0852907 -0.943724 0.258673 0.187613 -18.3129 -64.9256 -122.2 # jumping subtree containing T0136:Q 41 (40) jump= 0.582352 0.0371696 -0.650079 -0.486705 -36.5389 90.8731 -125.138 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.79176 -0.267169 0.254596 -0.486741 50.8977 17.0076 -45.5505 # jumping subtree containing T0136:Q 41 (40) jump= -0.997924 0.0535136 0.0135775 0.0331716 -5.28793 11.4699 5.94983 # generation 64: best score out of 40: T0136.try1 61.471 cost/residue, 185 clashes 0.0984914 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 342 ## TwoFragment 6 ## CrossOver 98 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 440 ## OptSubtree 573 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= 0.0382004 0.0918052 -0.910723 0.40087 -8.01152 -37.6306 -148.856 # jumping subtree containing T0136:A 46 (45) jump= -0.984769 0.055038 0.144549 -0.0794172 -47.7932 4.85454 10.1236 # jumping subtree containing T0136:R 34 (33) jump= 0.0242784 0.675054 0.343652 0.652392 44.9024 92.2509 -115.077 # Removing break before 40 # generation 65: best score out of 40: T0136.try1 61.471 cost/residue, 185 clashes 0.0984914 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 342 ## TwoFragment 6 ## CrossOver 102 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 446 ## OptSubtree 586 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.153753 -0.735344 0.655894 -0.0737079 13.1053 -6.19524 -208.282 # jumping subtree containing T0136:L 19 (18) jump= 0.255075 0.104512 -0.671627 -0.687699 -40.1496 61.7675 -37.8309 # jumping subtree containing T0136:A 46 (45) jump= -0.346137 0.924581 -0.0744573 -0.140697 -42.8101 -0.747065 -128.174 # jumping subtree containing T0136:A 46 (45) jump= 0.930197 0.242496 0.210716 -0.177559 42.7087 -66.4724 -0.95445 # jumping subtree containing T0136:A 46 (45) jump= -0.300249 0.649715 -0.0795826 0.693821 73.0393 -25.0123 -103.461 # jumping subtree containing T0136:R 33 (32) jump= 0.00640084 -0.0972002 0.882678 0.459773 -11.4104 60.623 -114.194 # generation 66: best score out of 40: T0136.try1 61.471 cost/residue, 185 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 342 ## TwoFragment 6 ## CrossOver 104 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 456 ## OptSubtree 606 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= 0.621944 0.428689 -0.123813 0.643491 17.685 -77.4241 -48.9301 # jumping subtree containing T0136:D 60 (59) jump= 0.463075 -0.483374 -0.729775 0.139064 -66.6059 27.789 -149.751 # jumping subtree containing T0136:Q 41 (40) jump= 0.98252 -0.027353 -0.00450272 0.184083 -24.956 -10.1099 4.33072 # jumping subtree containing T0136:Q 44 (43) jump= 0.171604 -0.571348 -0.452621 0.662758 -33.6371 -58.5218 -101.601 # generation 67: best score out of 40: T0136.try1 61.2881 cost/residue, 189 clashes 0.0984915 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 343 ## TwoFragment 6 ## CrossOver 107 ## CrossAndInsert 33 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 459 ## OptSubtree 625 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.214695 0.506835 -0.576324 0.604048 10.9043 -107.937 -104.441 # jumping subtree containing T0136:D 60 (59) jump= -0.999062 0.0038925 -0.0322302 0.0286416 -0.812235 -3.62006 -19.716 # jumping subtree containing T0136:N 52 (51) jump= 0.993819 0.102381 0.0272371 0.0331578 -4.35925 -2.86664 25.5224 # jumping subtree containing T0136:H 39 (38) jump= 0.937422 -0.257133 -0.0700153 -0.224102 10.5985 46.7404 -26.4518 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.794248 0.351994 0.386814 0.309267 52.5085 -27.709 -36.965 # Removing break before 40 # generation 68: best score out of 40: T0136.try1 61.1756 cost/residue, 191 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 343 ## TwoFragment 6 ## CrossOver 110 ## CrossAndInsert 35 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 463 ## OptSubtree 642 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.926405 -0.140388 0.340916 -0.076422 75.9646 22.8789 -18.4527 # jumping subtree containing T0136:R 66 (65) jump= 0.401275 -0.570951 -0.393933 -0.598172 26.4151 91.904 -118.327 # jumping subtree containing T0136:D 60 (59) jump= 0.861523 -0.44125 0.0210116 0.25027 -54.3535 51.7664 -52.949 # jumping subtree containing T0136:L 19 (18) jump= -0.847681 0.168855 0.108868 -0.490991 -25.8537 13.5206 4.81173 # Removing break before 40 # jumping subtree containing T0136:R 66 (65) jump= -0.973635 0.119027 0.19418 -0.0127383 -31.8576 38.4649 -31.7749 # jumping subtree containing T0136:Q 41 (40) jump= 0.998356 -0.039659 -0.0353818 0.0214467 -15.7842 26.4754 16.4584 # jumping subtree containing T0136:R 66 (65) jump= -0.697476 -0.532022 -0.00876491 0.480003 -41.374 -70.5948 -65.2019 # jumping subtree containing T0136:D 60 (59) jump= -0.918558 0.353121 -0.0848713 0.156055 53.9791 61.461 -48.5717 # generation 69: best score out of 40: T0136.try1 61.1756 cost/residue, 191 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 344 ## TwoFragment 6 ## CrossOver 112 ## CrossAndInsert 35 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 31 ## JiggleSubtree 472 ## OptSubtree 660 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:R 66 (65) jump= -0.528476 -0.390968 -0.753197 0.0235033 126.241 -95.2386 -163.712 # Removing break before 40 # jumping subtree containing T0136:D 60 (59) jump= -0.883633 0.115479 0.452242 -0.0365165 -74.582 23.7339 -15.036 # jumping subtree containing T0136:L 19 (18) jump= 0.362363 -0.806893 -0.40611 -0.229545 -1.85481 27.8493 -139.106 # jumping subtree containing T0136:L 19 (18) jump= 0.304744 0.0656855 0.536602 0.784139 59.7768 45.6265 -19.4255 # generation 70: best score out of 40: T0136.try1 61.1756 cost/residue, 191 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 344 ## TwoFragment 6 ## CrossOver 116 ## CrossAndInsert 35 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 483 ## OptSubtree 675 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= -0.343242 0.445992 -0.597727 0.570963 58.3555 -27.9278 -95.2773 # jumping subtree containing T0136:G 14 (13) jump= 0.961685 0.203523 0.135795 -0.123695 7.23157 -38.6423 -10.0707 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:Q 41 (40) jump= -0.92436 -0.24905 0.1425 -0.251448 -29.0491 -55.3407 -15.0541 # generation 71: best score out of 40: T0136.try1 61.175 cost/residue, 191 clashes 0.0984916 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 344 ## TwoFragment 6 ## CrossOver 118 ## CrossAndInsert 35 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 484 ## OptSubtree 696 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:D 60 (59) jump= 0.794556 0.11865 0.170351 0.5706 -15.563 -24.6265 -9.53329 # jumping subtree containing T0136:A 46 (45) jump= 0.914416 -0.0861305 -0.377391 -0.118326 -49.4358 30.9023 -2.36983 # generation 72: best score out of 40: T0136.try1 61.0228 cost/residue, 199 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 123 ## CrossAndInsert 35 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 489 ## OptSubtree 711 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 19 (18) jump= -0.957046 -0.0999486 -0.240228 0.127918 44.9319 -32.0625 20.4987 # jumping subtree containing T0136:L 19 (18) jump= -0.886158 -0.401423 0.00805225 0.23134 -9.5079 -48.5287 -18.0803 # jumping subtree containing T0136:D 60 (59) jump= -0.510681 -0.652237 -0.555899 0.0690489 64.3801 -71.3682 -114.374 # Removing break before 40 # jumping subtree containing T0136:L 19 (18) jump= -0.670733 -0.170074 0.351196 -0.630756 -14.0578 -84.6273 -36.2607 # jumping subtree containing T0136:Q 41 (40) jump= -0.524859 -0.392459 -0.342115 0.673392 20.0754 -52.5047 -25.2688 # jumping subtree containing T0136:A 46 (45) jump= 0.189959 -0.105402 -0.732639 0.645017 18.5856 -93.8079 -84.1262 # jumping subtree containing T0136:R 66 (65) jump= -0.110437 0.235424 0.105612 -0.959805 -44.6657 -43.999 -22.0793 # Removing break before 40 # Removing break before 40 # generation 73: best score out of 40: T0136.try1 61.0228 cost/residue, 199 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 129 ## CrossAndInsert 35 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 499 ## OptSubtree 727 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 19 (18) jump= -0.986222 -0.113526 0.047479 -0.110559 -15.0771 -46.9292 -10.0678 # jumping subtree containing T0136:Q 41 (40) jump= -0.524161 -0.810309 0.0912499 -0.245619 -4.77163 -112.064 -67.1245 # jumping subtree containing T0136:L 19 (18) jump= 0.981191 -0.0554882 0.0598541 -0.174934 13.4869 -1.60277 -31.1111 # generation 74: best score out of 40: T0136.try1 61.0227 cost/residue, 199 clashes 0.0984912 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 129 ## CrossAndInsert 35 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 509 ## OptSubtree 749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.996475 -0.0581486 0.00276146 0.0604086 -15.9139 -13.1516 1.63769 # Removing break before 40 # jumping subtree containing T0136:R 34 (33) jump= 0.40998 0.151248 -0.494429 -0.751386 -56.3951 18.3269 -25.0944 # jumping subtree containing T0136:L 19 (18) jump= 0.118717 -0.0533082 -0.947673 -0.291513 -31.9437 45.502 -134.443 # jumping subtree containing T0136:N 52 (51) jump= 0.655346 -0.271664 0.494625 -0.502062 85.5882 -13.5121 -94.9434 # Removing break before 40 # jumping subtree containing T0136:N 52 (51) jump= 0.125799 -0.761633 -0.633598 0.0514152 -7.54171 24.8646 -178.222 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:N 52 (51) jump= 0.933285 -0.020208 -0.0550304 -0.354319 2.63555 15.4547 14.6197 # jumping subtree containing T0136:N 52 (51) jump= 0.0814426 0.311149 0.48722 0.811893 10.8974 24.353 -21.5291 # jumping subtree containing T0136:E 13 (12) jump= -0.995274 -0.039541 0.0532811 -0.0709083 -2.48498 -18.1024 -12.3911 # jumping subtree containing T0136:A 1 (0) jump= -0.446197 0.65402 -0.537095 -0.291024 -20.4538 28.3348 -115.876 # generation 75: best score out of 40: T0136.try1 60.8517 cost/residue, 181 clashes 0.0984913 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 132 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 36 ## JiggleSubtree 510 ## OptSubtree 768 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.375942 0.781213 -0.497866 0.0224281 1.29318 1.19346 -146.463 # jumping subtree containing T0136:H 39 (38) jump= -0.765052 -0.627903 0.0212221 -0.141362 -8.87652 -91.062 -17.0541 # jumping subtree containing T0136:Q 41 (40) jump= -0.843239 -0.21118 0.293292 0.397908 -10.714 -31.4232 -11.5991 # Removing break before 40 # jumping subtree containing T0136:N 52 (51) jump= -0.980429 -0.0339439 -0.132142 0.141935 53.3583 -15.6128 2.49906 # jumping subtree containing T0136:M 12 (11) jump= 0.8474 -0.0258921 0.500878 0.174255 34.9461 7.83134 -46.7235 # generation 76: best score out of 40: T0136.try1 60.8517 cost/residue, 181 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 135 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 36 ## JiggleSubtree 518 ## OptSubtree 787 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.551973 -0.174919 -0.466008 0.669003 12.2492 -105.361 -53.1523 # jumping subtree containing T0136:L 19 (18) jump= 0.303023 -0.596123 0.655635 -0.350653 45.9396 -6.06285 -159.959 # jumping subtree containing T0136:Q 41 (40) jump= -0.994826 0.0386885 0.0896063 -0.0282145 8.29003 15.2603 6.06984 # jumping subtree containing T0136:D 60 (59) jump= 0.955467 -0.0930438 -0.224192 0.167817 -65.5579 21.4882 -14.4496 # jumping subtree containing T0136:A 1 (0) jump= -0.270697 0.014765 -0.564493 0.77965 16.8084 -81.2623 -74.0915 # generation 77: best score out of 40: T0136.try1 60.7629 cost/residue, 183 clashes 0.0984915 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 139 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 36 ## JiggleSubtree 525 ## OptSubtree 807 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= -0.409749 0.737515 0.536603 -0.0152914 -26.4885 21.9211 -153.098 # jumping subtree containing T0136:L 19 (18) jump= 0.71404 -0.0208446 -0.692961 0.0975551 -72.572 -27.9826 -88.7567 # jumping subtree containing T0136:D 60 (59) jump= 0.394916 -0.211793 0.816783 0.363388 7.0102 52.8739 -88.266 # jumping subtree containing T0136:D 60 (59) jump= 0.346734 0.756266 0.522098 -0.187754 45.7768 -89.0585 -152.585 # jumping subtree containing T0136:N 52 (51) jump= -0.514123 0.689799 0.0982473 0.500202 71.4037 37.6888 -70.7951 # Removing break before 40 # jumping subtree containing T0136:N 52 (51) jump= 0.434082 -0.0129537 0.894066 0.109777 32.1996 5.69743 -100.018 # jumping subtree containing T0136:D 60 (59) jump= 0.729792 0.190178 -0.548747 0.360711 -78.6717 -89.4801 -46.3042 # generation 78: best score out of 40: T0136.try1 60.7629 cost/residue, 183 clashes 0.0984914 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 141 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 37 ## JiggleSubtree 531 ## OptSubtree 826 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.131615 -0.903052 0.402227 -0.0734029 -5.30892 -53.5103 -205.092 # jumping subtree containing T0136:N 52 (51) jump= -0.536226 -0.215954 0.765421 0.282766 -76.754 16.92 -56.0574 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.770176 -0.204206 0.553608 0.242172 25.0153 34.3526 -68.3092 # jumping subtree containing T0136:Q 41 (40) jump= 0.715633 -0.275944 0.623533 0.15143 22.018 44.5281 -75.884 # jumping subtree containing T0136:Q 41 (40) jump= -0.858563 -0.177781 -0.442683 0.187871 47.1509 -34.4025 -26.1338 # jumping subtree containing T0136:D 60 (59) jump= -0.24378 -0.890494 0.109779 -0.368158 67.3364 -87.304 -141.192 # generation 79: best score out of 40: T0136.try1 60.7628 cost/residue, 183 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 141 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 38 ## JiggleSubtree 541 ## OptSubtree 845 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.0391368 -0.634307 -0.373312 -0.675841 67.2899 16.146 -53.9042 # jumping subtree containing T0136:D 60 (59) jump= 0.0293035 0.721819 -0.148962 0.675225 58.4565 -98.2511 -124.917 # generation 80: best score out of 40: T0136.try1 60.7628 cost/residue, 183 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 145 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 40 ## JiggleSubtree 547 ## OptSubtree 862 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.63588 -0.708581 -0.244868 -0.183328 -37.0595 150.694 -93.7373 # jumping subtree containing T0136:Q 41 (40) jump= -0.409011 -0.491948 -0.254059 0.725363 -71.1816 -12.8398 -51.5703 # jumping subtree containing T0136:Q 41 (40) jump= 0.120787 -0.0926004 0.939796 0.305971 -13.9472 50.2255 -137.03 # jumping subtree containing T0136:R 34 (33) jump= -0.836083 -0.352949 0.296153 -0.297803 -60.5385 -79.847 -46.5028 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.427677 0.51984 0.497899 -0.546768 -26.2357 -52.9175 -91.6177 # jumping subtree containing T0136:Q 41 (40) jump= -0.00411969 0.713044 0.698381 -0.0617714 -3.16427 -5.41587 -185.749 # jumping subtree containing T0136:Q 41 (40) jump= -0.554746 -0.367579 0.443518 -0.600362 -33.6968 -115.384 -26.4739 # generation 81: best score out of 40: T0136.try1 60.7628 cost/residue, 183 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 149 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 40 ## JiggleSubtree 550 ## OptSubtree 879 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= 0.501726 -0.722819 -0.0068466 0.475139 -49.8708 133.746 -91.6771 # jumping subtree containing T0136:E 13 (12) jump= 0.996324 0.0768149 -0.0176095 0.033595 1.7245 4.94253 -18.7863 # jumping subtree containing T0136:Q 41 (40) jump= 0.980387 -0.0407329 0.132725 -0.139876 22.8626 4.37169 6.05443 # jumping subtree containing T0136:L 72 (71) jump= -0.61724 -0.663026 0.0754335 -0.416799 54.2615 -104.343 -93.279 # jumping subtree containing T0136:D 60 (59) jump= 0.301169 0.0956 0.634844 -0.705076 10.9227 -107.811 -70.6974 # jumping subtree containing T0136:Q 41 (40) jump= 0.997534 -0.0303983 0.0623119 0.0108857 7.9922 19.4439 -7.20194 # jumping subtree containing T0136:R 34 (33) jump= 0.483558 -0.126335 0.859559 0.106627 65.5983 46.9055 -145.741 # jumping subtree containing T0136:Q 41 (40) jump= 0.0745529 0.13836 -0.148333 0.976369 -24.0703 -51.5423 -19.1926 # generation 82: best score out of 40: T0136.try1 60.7311 cost/residue, 184 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 349 ## TwoFragment 6 ## CrossOver 152 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 41 ## JiggleSubtree 550 ## OptSubtree 900 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.488304 0.471801 -0.64953 0.342161 101.748 10.7295 -76.4663 # jumping subtree containing T0136:R 34 (33) jump= 0.986851 -0.125711 0.0866486 0.0530533 13.1563 37.2506 -15.2479 # jumping subtree containing T0136:Q 41 (40) jump= 0.407631 -0.155641 0.882135 0.177345 79.5042 33.3466 -163.779 # jumping subtree containing T0136:Q 41 (40) jump= -0.290196 -0.435712 -0.442976 -0.727814 70.3648 99.8664 -110.631 # jumping subtree containing T0136:K 77 (76) jump= 0.513843 0.710582 -0.480062 -0.024069 -69.1407 -60.1943 -148.085 # jumping subtree containing T0136:Q 41 (40) jump= 0.0747102 0.730926 -0.565373 0.37486 71.7779 -11.2155 -159.201 # generation 83: best score out of 40: T0136.try1 60.7311 cost/residue, 184 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 349 ## TwoFragment 6 ## CrossOver 154 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 43 ## JiggleSubtree 552 ## OptSubtree 918 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.991473 0.0138084 -0.128687 -0.0151644 41.3443 13.145 13.6459 # jumping subtree containing T0136:Q 41 (40) jump= -0.160346 -0.578864 -0.0397707 0.798514 -112.777 62.4839 -74.7711 # jumping subtree containing T0136:Q 41 (40) jump= -0.193283 -0.324472 -0.789462 -0.483848 32.5819 95.6002 -186.785 # jumping subtree containing T0136:Q 41 (40) jump= -0.996152 -0.0382467 0.0199388 -0.0762926 13.6201 -24.2285 -7.74567 # jumping subtree containing T0136:E 13 (12) jump= 0.228415 0.894902 -0.282408 0.259272 29.8927 -14.8763 -138.922 # jumping subtree containing T0136:D 60 (59) jump= 0.700092 -0.712678 0.0357024 0.0261931 3.8286 132.851 -107.874 # jumping subtree containing T0136:A 46 (45) jump= -0.542039 -0.142562 0.779074 -0.280915 -87.2677 -51.8442 -101.005 # generation 84: best score out of 40: T0136.try1 60.7311 cost/residue, 184 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 349 ## TwoFragment 6 ## CrossOver 158 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 44 ## JiggleSubtree 562 ## OptSubtree 937 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.596691 0.381173 -0.698621 0.102936 -42.4277 -38.858 -105.077 # jumping subtree containing T0136:Q 41 (40) jump= 0.834569 0.0126397 0.0304703 -0.549915 -28.4128 8.15676 17.9234 # jumping subtree containing T0136:D 60 (59) jump= 0.76088 -0.0082894 0.620834 0.188569 90.3324 17.538 -68.3544 # jumping subtree containing T0136:D 60 (59) jump= 0.984206 0.0890812 -0.130617 0.0796446 -16.3437 -33.4033 10.2428 # jumping subtree containing T0136:D 60 (59) jump= 0.826924 0.529037 -0.148893 0.118941 1.67922 -59.8228 -69.8708 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= -0.402159 0.652054 0.00432675 -0.642709 -82.4652 110.508 -92.171 # jumping subtree containing T0136:N 52 (51) jump= -0.879215 0.20507 -0.429452 -0.0223122 59.5887 19.6274 -31.4532 # jumping subtree containing T0136:E 13 (12) jump= -0.742357 -0.475591 -0.40114 -0.248608 69.9604 -9.96138 -76.2603 # generation 85: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 161 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 44 ## JiggleSubtree 566 ## OptSubtree 956 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.410088 -0.0949125 0.227708 -0.878048 28.3578 -4.96101 2.53211 # jumping subtree containing T0136:A 1 (0) jump= 0.829422 0.0672145 -0.460455 0.309065 -33.8543 -42.7066 -33.6012 # jumping subtree containing T0136:L 19 (18) jump= 0.339047 -0.594795 0.252193 0.68386 -42.2963 76.5068 -69.5188 # jumping subtree containing T0136:L 19 (18) jump= 0.985093 0.148602 -0.022908 0.0835666 15.0211 -50.0599 -9.30214 # jumping subtree containing T0136:A 46 (45) jump= -0.987938 0.149791 -0.0392353 0.00164249 16.7792 21.4587 26.5488 # jumping subtree containing T0136:Q 41 (40) jump= -0.685458 -0.0876506 -0.444646 -0.569873 75.5977 70.2018 -48.174 # jumping subtree containing T0136:D 60 (59) jump= -0.0462389 -0.586431 0.603085 0.538747 -60.8182 48.8838 -146.586 # jumping subtree containing T0136:R 34 (33) jump= -0.98569 -0.129946 0.0959647 -0.0481701 2.97759 -27.4353 3.29645 # generation 86: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.0984911 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 164 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 568 ## OptSubtree 973 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.937512 0.347001 -0.0182927 0.0180976 0.604821 -70.7169 -32.9033 # jumping subtree containing T0136:N 52 (51) jump= 0.180725 0.254643 -0.270274 -0.91074 -69.9491 84.7092 -58.3845 # jumping subtree containing T0136:N 52 (51) jump= -0.324564 -0.104443 0.739993 0.579794 -73.1819 110.674 -129.061 # Removing break before 40 # generation 87: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 166 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 49 ## JiggleSubtree 581 ## OptSubtree 987 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 46 (45) jump= 0.281032 0.363798 -0.67342 0.578945 30.916 -65.9126 -90.1403 # jumping subtree containing T0136:D 60 (59) jump= 0.374137 0.199259 0.86122 -0.280389 70.956 -65.8629 -145.905 # jumping subtree containing T0136:D 60 (59) jump= 0.772387 -0.0143948 0.632143 0.0600584 119.197 15.7502 -69.5611 # jumping subtree containing T0136:Q 41 (40) jump= -0.396902 -0.375088 0.47988 0.686654 -82.9405 62.7331 -95.6137 # jumping subtree containing T0136:Q 41 (40) jump= -0.578626 -0.613538 0.440214 0.30818 -71.9578 -7.19401 -154 # jumping subtree containing T0136:D 60 (59) jump= 0.800417 -0.464675 0.189584 0.327824 6.84639 137.88 -32.1204 # jumping subtree containing T0136:A 46 (45) jump= 0.94158 -0.0920716 0.154483 -0.284753 31.1996 30.5427 -0.771411 # jumping subtree containing T0136:Q 41 (40) jump= 0.900277 0.0851887 0.3285 0.272639 94.3972 20.4502 -29.2425 # Removing break before 40 # jumping subtree containing T0136:R 34 (33) jump= -0.977925 -0.0922554 0.0457831 -0.181813 -26.6415 -7.62768 1.16788 # jumping subtree containing T0136:L 19 (18) jump= 0.826683 -0.0215845 0.561779 -0.0231043 67.0401 -18.7321 -64.0282 # jumping subtree containing T0136:R 34 (33) jump= 0.927553 -0.319246 -0.160044 -0.110058 -30.6417 51.21 -4.28968 # generation 88: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.098491 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 166 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 584 ## OptSubtree 1007 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.872249 -0.0404861 0.410327 -0.263011 49.999 -12.4298 -24.478 # jumping subtree containing T0136:A 1 (0) jump= 0.938334 -0.247131 0.233359 -0.0632391 30.2417 42.2814 -16.0484 # jumping subtree containing T0136:Q 41 (40) jump= -0.102008 0.110569 0.711041 0.68687 7.69225 103.711 -88.6013 # jumping subtree containing T0136:D 60 (59) jump= -0.995018 0.0039226 0.0503538 0.0859603 -15.7928 6.62506 -11.0976 # jumping subtree containing T0136:F 73 (72) jump= 0.0102812 0.763877 -0.425723 -0.484918 -27.0709 75.4791 -149.813 # generation 89: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.098491 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 174 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 585 ## OptSubtree 1020 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.326786 0.357134 0.23726 -0.842244 -71.0107 -11.3051 -48.2436 # jumping subtree containing T0136:Q 41 (40) jump= 0.898773 0.353138 0.249473 0.0725515 63.9766 -48.807 -63.8827 # jumping subtree containing T0136:Q 41 (40) jump= -0.16037 -0.503185 0.473361 -0.704994 56.6655 -100.26 -102.066 # jumping subtree containing T0136:Q 41 (40) jump= 0.987997 0.151767 -0.0281482 -0.00597717 5.71155 -31.5004 -22.4622 # jumping subtree containing T0136:A 1 (0) jump= -0.511625 0.711953 -0.327012 0.35274 80.9989 56.4636 -167.865 # Removing break before 40 # Removing break before 40 # jumping subtree containing T0136:L 19 (18) jump= -0.450775 0.443453 0.444797 -0.634277 -97.8556 31.2569 -65.8134 # jumping subtree containing T0136:G 63 (62) jump= -0.913179 0.110596 0.354755 0.167396 -73.101 49.6992 -56.7326 # generation 90: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.098491 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 179 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 585 ## OptSubtree 1044 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.849374 0.358938 0.175882 0.344665 60.4401 -6.79796 -42.2931 # jumping subtree containing T0136:G 31 (30) jump= 0.669605 -0.598212 0.0484884 -0.437517 57.5622 82.6954 -87.486 # jumping subtree containing T0136:A 1 (0) jump= -0.736878 0.528209 0.401519 0.129567 -60.0008 120.821 -110.291 # jumping subtree containing T0136:T 71 (70) jump= 0.649293 -0.151447 -0.181838 0.722785 -63.569 49.5169 13.7629 # jumping subtree containing T0136:Q 41 (40) jump= -0.96775 0.227574 0.0810286 -0.0714377 -23.085 43.2838 -24.138 # jumping subtree containing T0136:A 1 (0) jump= -0.591223 -0.0957108 0.515497 -0.612828 -75.4259 -67.3806 -49.0399 # jumping subtree containing T0136:D 60 (59) jump= -0.313668 0.126477 0.900443 0.27353 -76.489 72.1137 -169.771 # jumping subtree containing T0136:G 31 (30) jump= -0.992765 0.0722695 -0.0896549 -0.0340223 32.0475 10.2746 6.11852 # jumping subtree containing T0136:Q 41 (40) jump= 0.490061 0.127656 -0.306409 0.806013 -4.55937 -83.8914 -26.8651 # jumping subtree containing T0136:D 60 (59) jump= -0.279486 0.373984 0.738627 -0.486265 -93.4776 -51.1511 -125.453 # jumping subtree containing T0136:Q 41 (40) jump= -0.684206 -0.0703856 0.0645742 0.723006 -4.85126 -11.1102 8.73535 # jumping subtree containing T0136:Q 41 (40) jump= -0.250515 -0.193106 0.841089 -0.438772 -12.2432 -86.0067 -135.006 # generation 91: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.098491 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 182 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 585 ## OptSubtree 1065 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.353285 0.31684 0.106797 0.873726 44.2565 22.1265 -42.6082 # jumping subtree containing T0136:Q 41 (40) jump= -0.271891 0.417805 -0.0874053 0.862482 61.3034 -8.07684 -13.0184 # jumping subtree containing T0136:A 1 (0) jump= -0.939439 0.036223 -0.146726 0.307593 50.0347 -1.7242 15.73 # jumping subtree containing T0136:L 19 (18) jump= 0.712867 0.601355 -0.343016 0.111947 -31.9154 -91.9728 -99.1168 # jumping subtree containing T0136:Q 41 (40) jump= -0.111125 0.921812 -0.0171455 0.370972 72.7931 7.04946 -195.069 # jumping subtree containing T0136:L 19 (18) jump= 0.988937 -0.0148437 0.112946 -0.0950133 12.8355 20.7482 -1.12263 # jumping subtree containing T0136:L 19 (18) jump= -0.952117 -0.113496 0.0958317 -0.267222 -12.6326 -17.5353 -17.2044 # jumping subtree containing T0136:D 60 (59) jump= 0.949124 0.173412 0.249225 0.0835389 60.5184 -25.728 -15.495 # jumping subtree containing T0136:D 60 (59) jump= 0.0114948 -0.503335 -0.113676 0.856504 -97.4112 2.21556 -45.1499 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= -0.638329 0.0861379 0.165045 -0.746911 -48.369 3.98667 12.0549 # jumping subtree containing T0136:L 19 (18) jump= -0.91566 0.0414995 0.35319 -0.187355 -52.488 3.6919 -8.81109 # jumping subtree containing T0136:Q 41 (40) jump= -0.916861 0.0535251 -0.37541 -0.124774 84.0797 21.3632 -8.42063 # jumping subtree containing T0136:F 59 (58) jump= -0.999542 -0.013539 0.00404276 -0.0267512 5.46026 -1.4793 -7.83521 # generation 92: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 189 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 586 ## OptSubtree 1082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:D 60 (59) jump= -0.0231959 0.261097 0.584829 -0.767636 -58.2349 -60.1492 -89.3207 # jumping subtree containing T0136:Q 41 (40) jump= -0.986696 -0.0847496 -0.0320302 0.134989 -8.44465 -24.6426 -19.7511 # jumping subtree containing T0136:Q 41 (40) jump= 0.947197 0.220551 0.192649 0.130619 22.7007 -31.2314 -18.1745 # jumping subtree containing T0136:R 34 (33) jump= -0.786548 0.560282 0.110389 0.235034 19.0897 109.798 -45.5073 # jumping subtree containing T0136:Q 41 (40) jump= 0.81053 0.160117 -0.231554 0.513602 -45.3552 -46.5982 -29.5215 # jumping subtree containing T0136:R 34 (33) jump= 0.859242 0.109078 0.210687 -0.453228 12.784 -32.2739 -13.8592 # jumping subtree containing T0136:Q 41 (40) jump= 0.626497 0.44885 0.178605 0.611666 67.8736 -54.4861 -31.0178 # Removing break before 40 # generation 93: best score out of 40: T0136.try1 60.7281 cost/residue, 183 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 190 ## CrossAndInsert 36 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 586 ## OptSubtree 1105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.0940692 -0.727994 0.133439 -0.66586 112.098 -20.2504 -114.752 # jumping subtree containing T0136:Q 41 (40) jump= -0.998735 0.0124348 -0.0162569 -0.0459235 30.844 5.44871 -4.31972 # jumping subtree containing T0136:R 34 (33) jump= 0.915848 0.349031 -0.197754 -0.0171357 -61.0991 -48.177 -41.7704 # jumping subtree containing T0136:D 60 (59) jump= 0.601534 -0.598753 -0.0862262 0.521744 -72.542 73.8019 -73.9529 # jumping subtree containing T0136:A 1 (0) jump= -0.972217 0.19518 0.0765323 -0.104122 -18.9155 49.313 -11.8331 # jumping subtree containing T0136:D 60 (59) jump= 0.690088 0.461821 -0.0998338 -0.54821 -80.3839 -66.0813 -69.517 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= -0.594862 0.122029 0.775283 -0.173736 -136.232 -24.8467 -128.243 # jumping subtree containing T0136:D 60 (59) jump= -0.637503 0.124629 0.311485 -0.693566 -77.7852 -25.4575 -10.3125 # generation 94: best score out of 40: T0136.try1 60.7206 cost/residue, 183 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 193 ## CrossAndInsert 37 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 586 ## OptSubtree 1125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.486313 0.145505 0.437557 -0.742208 -83.9314 -75.1458 -73.3288 # jumping subtree containing T0136:A 1 (0) jump= -0.474375 0.649455 0.588853 0.080174 -69.8124 86.6922 -192.733 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:L 19 (18) jump= -0.931682 0.252148 -0.208651 -0.157651 44.6669 41.8382 -10.5891 # jumping subtree containing T0136:Q 41 (40) jump= 0.813049 -0.222649 0.458886 -0.280719 93.0437 13.1313 -43.2278 # jumping subtree containing T0136:D 60 (59) jump= -0.885516 -0.222548 -0.107922 -0.393302 31.7304 -13.3315 -32.9324 # jumping subtree containing T0136:R 34 (33) jump= 0.878865 -0.382666 0.251497 0.133841 38.5148 64.7896 -28.7283 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:L 19 (18) jump= 0.9432 0.295914 0.0128943 -0.150472 -10.5569 -63.8533 -0.786879 # jumping subtree containing T0136:R 33 (32) jump= -0.986425 -0.0718297 -0.0459135 -0.140353 32.1751 -15.248 14.1382 # generation 95: best score out of 40: T0136.try1 60.7186 cost/residue, 183 clashes 0.098491 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 195 ## CrossAndInsert 37 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 590 ## OptSubtree 1143 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.0588689 -0.896868 -0.241417 -0.365897 82.5514 -18.6293 -168.932 # jumping subtree containing T0136:Q 41 (40) jump= 0.966974 -0.0400384 0.215928 0.129354 43.2592 21.7592 -43.3626 # jumping subtree containing T0136:A 1 (0) jump= -0.170979 0.0577493 -0.971075 -0.15635 28.5071 9.21837 -192.538 # jumping subtree containing T0136:D 60 (59) jump= -0.996619 -0.0642033 0.0436148 0.0269671 -2.75123 -13.935 24.9624 # jumping subtree containing T0136:Q 41 (40) jump= 0.741188 0.0123312 -0.339821 -0.578801 -56.2909 14.0155 -30.7966 # jumping subtree containing T0136:D 60 (59) jump= 0.988993 0.0225304 0.145184 -0.0175314 45.5912 14.2215 -25.6917 # jumping subtree containing T0136:G 31 (30) jump= 0.629377 -0.266751 0.618038 -0.388275 121.263 -25.9253 -132.737 # generation 96: best score out of 40: T0136.try1 60.5734 cost/residue, 175 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 352 ## TwoFragment 6 ## CrossOver 195 ## CrossAndInsert 37 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 602 ## OptSubtree 1167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.0487304 -0.2091 -0.170121 -0.961749 10.6332 50.9992 -9.48704 # Removing break before 40 # jumping subtree containing T0136:R 34 (33) jump= -0.42176 0.253896 0.867369 -0.0729835 -109.831 -6.57424 -187.425 # jumping subtree containing T0136:D 60 (59) jump= -0.936101 0.167703 0.0117323 0.308954 6.59653 26.654 12.9282 # jumping subtree containing T0136:D 60 (59) jump= -0.999417 0.0263905 -0.00762509 0.020284 -6.04325 1.57578 0.359821 # jumping subtree containing T0136:A 1 (0) jump= 0.471999 -0.208226 0.725696 -0.455219 63.4307 -88.9553 -141.559 # jumping subtree containing T0136:Q 41 (40) jump= 0.966717 -0.0167289 0.216279 -0.135655 57.3892 -2.53094 0.124406 # jumping subtree containing T0136:D 60 (59) jump= -0.447686 0.536626 -0.714637 -0.0300534 55.0365 25.4897 -203.783 # Removing break before 40 # generation 97: best score out of 40: T0136.try1 60.5734 cost/residue, 175 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 352 ## TwoFragment 6 ## CrossOver 196 ## CrossAndInsert 37 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 611 ## OptSubtree 1187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.618247 -0.360403 0.624596 -0.312666 72.532 -4.6899 -133.376 # Removing break moved up 3 to before 54 # jumping subtree containing T0136:Q 41 (40) jump= -0.330191 0.923975 0.0504705 -0.186268 -35.4195 58.2842 -193.448 # jumping subtree containing T0136:R 34 (33) jump= 0.337427 -0.451296 0.374138 0.736543 -46.2971 121.949 -83.3235 # jumping subtree containing T0136:D 60 (59) jump= 0.120319 0.561139 -0.816724 -0.0600741 -38.4189 15.9595 -200.56 # jumping subtree containing T0136:A 46 (45) jump= 0.113372 0.290158 -0.0619099 0.948221 43.7697 -20.475 -16.2031 # jumping subtree containing T0136:L 19 (18) jump= 0.886539 -0.360602 0.209933 0.199857 12.8799 67.4541 -74.8467 # generation 98: best score out of 40: T0136.try1 60.5639 cost/residue, 175 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 352 ## TwoFragment 6 ## CrossOver 199 ## CrossAndInsert 37 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 617 ## OptSubtree 1209 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.989372 0.0969658 0.000124636 0.108352 9.31403 -1.85769 -17.3311 # jumping subtree containing T0136:G 31 (30) jump= 0.849825 0.448856 0.0622371 -0.269168 -14.7193 -114.568 -33.903 # Removing break before 40 # jumping subtree containing T0136:G 31 (30) jump= 0.977021 -0.092171 -0.176253 -0.0766088 -20.0603 34.385 -7.08081 # jumping subtree containing T0136:M 12 (11) jump= -0.850368 0.292445 -0.0195459 -0.436999 -42.2948 88.0307 -31.3811 # jumping subtree containing T0136:R 34 (33) jump= -0.71359 0.438363 -0.446601 0.314918 97.1385 45.6008 -55.493 # jumping subtree containing T0136:D 60 (59) jump= 0.851876 0.0685172 0.435485 0.282781 91.7328 26.7896 -55.7384 # generation 99: best score out of 40: T0136.try1 60.5639 cost/residue, 175 clashes 0.0984909 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 352 ## TwoFragment 6 ## CrossOver 201 ## CrossAndInsert 37 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 631 ## OptSubtree 1220 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.0181054 0.948552 0.217248 0.229618 50.5218 -14.5224 -213.426 # jumping subtree containing T0136:Q 41 (40) jump= -0.882177 -0.219244 0.0574594 -0.412789 7.94187 -57.4717 5.41143 # jumping subtree containing T0136:L 19 (18) jump= 0.600994 -0.369914 -0.526819 0.473743 -99.2882 13.9177 -73.8175 # jumping subtree containing T0136:D 60 (59) jump= -0.195327 -0.409993 -0.136803 0.880362 -104.364 -55.5771 -55.4573 # jumping subtree containing T0136:Q 41 (40) jump= 0.711678 0.239815 0.280233 -0.59789 -8.28375 -58.3838 -31.3095 # jumping subtree containing T0136:D 60 (59) jump= 0.303225 0.210571 -0.176014 -0.912542 -98.4862 21.9028 -28.8597 # generation 100: best score out of 40: T0136.try1 60.5638 cost/residue, 175 clashes 0.0984912 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 352 ## TwoFragment 6 ## CrossOver 206 ## CrossAndInsert 37 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 52 ## JiggleSubtree 637 ## OptSubtree 1239 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_933762627.pdb -s /projects/compbio/tmp/to_scwrl_933762627.seq -o /projects/compbio/tmp/from_scwrl_933762627.pdb -a /projects/compbio/tmp/from_scwrl_933762627_a.pdb -b /projects/compbio/tmp/from_scwrl_933762627_b.pdb > /projects/compbio/tmp/scwrl_933762627.log # T0136.try1-scwrl 61.6707 cost/residue 175 clashes 0.0984912 breaks # iteration 7 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 69.728 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 17 ## 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 69.728 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 35 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 0 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1 68.8503 cost/residue, 183 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 53 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 0 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 48 (47) jump= -0.719781 0.0893829 -0.167634 -0.667701 -7.26977 -2.17931 -24.1316 # generation 4: best score out of 40: T0136.try1 67.1033 cost/residue, 161 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 32 ## InsertFragment 65 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1 67.1033 cost/residue, 161 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 39 ## InsertFragment 79 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.948731 -0.136068 -0.249648 -0.138096 -30.9782 10.4775 1.63822 # generation 6: best score out of 40: T0136.try1 67.0712 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 41 ## InsertFragment 97 ## TwoFragment 2 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1 67.0712 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 46 ## InsertFragment 112 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1 66.4218 cost/residue, 115 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 50 ## InsertFragment 128 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 13 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 30 (29) jump= 0.201224 0.305523 -0.435297 -0.822606 188.623 145.423 -37.1696 # jumping subtree containing T0136:H 39 (38) jump= 0.977143 0.176464 -0.0812096 -0.0863587 -2.42213 -22.141 -6.00526 # generation 9: best score out of 40: T0136.try1 65.8907 cost/residue, 118 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 57 ## InsertFragment 137 ## TwoFragment 4 ## CrossOver 1 ## CrossAndInsert 14 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1 65.8907 cost/residue, 118 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 60 ## InsertFragment 152 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 15 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.161111 0.599382 0.763798 0.177193 18.0306 -7.56095 2.35019 # generation 11: best score out of 40: T0136.try1 65.5793 cost/residue, 136 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 65 ## InsertFragment 166 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # generation 12: best score out of 40: T0136.try1 65.5793 cost/residue, 136 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 66 ## InsertFragment 183 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # generation 13: best score out of 40: T0136.try1 65.5702 cost/residue, 142 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 69 ## InsertFragment 200 ## TwoFragment 6 ## CrossOver 3 ## CrossAndInsert 16 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1 65.4541 cost/residue, 120 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 73 ## InsertFragment 213 ## TwoFragment 6 ## CrossOver 4 ## CrossAndInsert 18 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 1 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 35 # jumping subtree containing T0136:A 1 (0) jump= 0.417375 -0.437685 0.48064 0.634992 1.18932 -29.5791 33.4363 # generation 15: best score out of 40: T0136.try1 64.6182 cost/residue, 142 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 225 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 19 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1 64.4393 cost/residue, 97 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 77 ## InsertFragment 234 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 21 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 1 ## OptSubtree 38 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.984903 0.0835438 -0.029814 -0.148655 23.5186 -3.5062 5.5543 # Removing break before 24 # generation 17: best score out of 40: T0136.try1 64.4393 cost/residue, 97 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 77 ## InsertFragment 238 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 22 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 1 ## OptSubtree 55 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.17324 0.196288 0.0322457 -0.964582 19.9864 -25.6835 -13.5001 # generation 18: best score out of 40: T0136.try1 64.1356 cost/residue, 84 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 79 ## InsertFragment 247 ## TwoFragment 8 ## CrossOver 7 ## CrossAndInsert 23 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 1 ## OptSubtree 64 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.239684 -0.174551 -0.666179 0.684317 -6.74417 -23.0852 -13.1125 # generation 19: best score out of 40: T0136.try1 64.1356 cost/residue, 84 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 80 ## InsertFragment 255 ## TwoFragment 8 ## CrossOver 7 ## CrossAndInsert 25 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 3 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 59 # jumping subtree containing T0136:A 1 (0) jump= 0.695573 -0.400118 0.0374054 -0.595554 15.4112 -17.3806 -6.51239 # jumping subtree containing T0136:G 42 (41) jump= -0.897039 -0.0618682 -0.16073 0.407013 25.0909 10.6945 -19.0084 # jumping subtree containing T0136:A 1 (0) jump= -0.402994 0.771461 -0.483272 -0.0942964 1.55047 -17.1568 17.9351 # Removing break before 43 # jumping subtree containing T0136:A 1 (0) jump= -0.226868 -0.11041 0.636456 0.728878 12.2081 -28.6963 22.2415 # generation 20: best score out of 40: T0136.try1 64.1356 cost/residue, 84 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 80 ## InsertFragment 261 ## TwoFragment 8 ## CrossOver 8 ## CrossAndInsert 25 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 3 ## OptSubtree 89 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.550087 -0.584043 0.171091 -0.571862 9.17951 -40.2148 -16.4754 # jumping subtree containing T0136:A 1 (0) jump= -0.311898 0.320718 -0.504258 -0.738636 1.07231 -34.7029 21.182 # generation 21: best score out of 40: T0136.try1 64.0809 cost/residue, 87 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 80 ## InsertFragment 269 ## TwoFragment 8 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 4 ## OptSubtree 102 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # jumping subtree containing T0136:A 1 (0) jump= 0.862036 -0.0777292 -0.350455 -0.357816 14.0046 -19.0791 20.2679 # Removing break before 43 # Removing break before 43 # generation 22: best score out of 40: T0136.try1 64.0809 cost/residue, 87 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 80 ## InsertFragment 270 ## TwoFragment 8 ## CrossOver 12 ## CrossAndInsert 25 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 4 ## OptSubtree 120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 59 # jumping subtree containing T0136:K 43 (42) jump= -0.253509 -0.856525 -0.39935 0.206443 16.0866 -15.5504 -15.2138 # jumping subtree containing T0136:D 60 (59) jump= -0.936697 0.223506 0.0528111 -0.264301 7.19413 -11.5791 -28.1413 # jumping subtree containing T0136:A 1 (0) jump= 0.957919 -0.12703 -0.0141238 0.257013 -8.7714 3.62316 4.81181 # jumping subtree containing T0136:A 1 (0) jump= -0.994948 0.0344996 0.0837908 0.043209 -18.6296 -6.35727 -21.413 # generation 23: best score out of 40: T0136.try1 63.6718 cost/residue, 84 clashes 0.019004 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 273 ## TwoFragment 8 ## CrossOver 14 ## CrossAndInsert 25 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 4 ## OptSubtree 136 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 59 # Removing break before 59 # generation 24: best score out of 40: T0136.try1 62.9879 cost/residue, 96 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 278 ## TwoFragment 8 ## CrossOver 14 ## CrossAndInsert 25 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 4 ## OptSubtree 152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= -0.977456 -0.0567831 -0.0144797 0.202846 -2.65766 -25.1807 -6.83658 # jumping subtree containing T0136:Q 44 (43) jump= -0.332289 -0.375554 -0.611057 -0.612497 35.1092 -29.7405 2.01745 # Removing break before 37 # Removing break before 43 # Removing break before 43 # Removing break before 59 # generation 25: best score out of 40: T0136.try1 62.9879 cost/residue, 96 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 281 ## TwoFragment 8 ## CrossOver 15 ## CrossAndInsert 26 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 4 ## OptSubtree 169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 59 # Removing break before 59 # jumping subtree containing T0136:A 1 (0) jump= -0.079199 -0.669933 0.459095 -0.578056 -38.6322 -36.8781 -7.60811 # jumping subtree containing T0136:A 1 (0) jump= -0.910474 0.253876 -0.20716 -0.252328 13.4754 0.269276 2.2776 # jumping subtree containing T0136:D 60 (59) jump= 0.55289 -0.102851 0.725764 0.396233 -4.17051 -1.93449 -10.5664 # Removing break before 37 # generation 26: best score out of 40: T0136.try1 62.4152 cost/residue, 96 clashes 0.0193994 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 287 ## TwoFragment 8 ## CrossOver 15 ## CrossAndInsert 26 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 4 ## OptSubtree 185 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.284228 -0.519625 0.226426 0.773263 36.1344 11.3037 28.3596 # Removing break before 59 # Removing break before 43 # Removing break before 70 # jumping subtree containing T0136:D 60 (59) jump= 0.799811 -0.439127 0.175607 0.369637 -57.6211 -21.3958 -25.6217 # Removing break before 43 # jumping subtree containing T0136:A 1 (0) jump= -0.805459 0.213727 0.538245 0.125889 27.4123 7.84663 11.6491 # Removing break before 37 # jumping subtree containing T0136:D 60 (59) jump= 0.364421 -0.0572936 0.831127 -0.416104 -13.3169 -40.8989 -34.576 # generation 27: best score out of 40: T0136.try1 62.4152 cost/residue, 96 clashes 0.0193994 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 292 ## TwoFragment 8 ## CrossOver 15 ## CrossAndInsert 26 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 4 ## OptSubtree 203 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.98096 -0.0921514 0.126619 -0.114858 -4.17418 -12.5346 -24.8748 # Removing break before 37 # Removing break before 37 # jumping subtree containing T0136:Q 44 (43) jump= -0.985933 0.0354631 0.098753 -0.130098 -18.065 -15.1741 0.487645 # Removing break before 59 # Removing break before 37 # generation 28: best score out of 40: T0136.try1 62.2597 cost/residue, 111 clashes 0.0175168 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 298 ## TwoFragment 8 ## CrossOver 15 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 4 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.029049 -0.587191 -0.400386 -0.70289 10.3878 -32.6451 8.64072 # jumping subtree containing T0136:L 19 (18) jump= 0.972948 -0.00471559 -0.109109 0.203579 -14.4723 5.58954 -18.0931 # jumping subtree containing T0136:Q 44 (43) jump= -0.571762 0.200639 -0.398295 -0.688617 -17.7246 -42.557 44.5624 # jumping subtree containing T0136:A 1 (0) jump= -0.766585 0.343062 0.336947 -0.425585 -28.0636 -41.6521 -56.8034 # jumping subtree containing T0136:A 1 (0) jump= -0.44953 -0.767393 0.37728 -0.258245 -28.3525 -68.7686 35.5367 # jumping subtree containing T0136:A 1 (0) jump= -0.597405 0.32412 0.507269 0.529841 49.1934 -62.5807 15.8578 # generation 29: best score out of 40: T0136.try1 62.2597 cost/residue, 111 clashes 0.0175168 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 298 ## TwoFragment 8 ## CrossOver 15 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 4 ## OptSubtree 247 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= 0.00871652 0.170209 0.985243 -0.0158036 22.0508 -5.34811 9.11447 # Removing break before 38 # Removing break before 37 # Removing break before 38 # generation 30: best score out of 40: T0136.try1 62.2597 cost/residue, 111 clashes 0.0175168 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 299 ## TwoFragment 8 ## CrossOver 15 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 5 ## OptSubtree 270 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.318303 -0.111926 -0.777535 0.530656 5.60256 -25.1167 -40.6769 # Removing break before 38 # jumping subtree containing T0136:D 60 (59) jump= 0.965857 0.0938367 -0.241396 0.00655685 -30.3077 11.2878 6.87797 # jumping subtree containing T0136:D 60 (59) jump= -0.896388 0.00265034 -0.392113 -0.20671 13.1107 6.57164 0.615525 # Removing break before 38 # jumping subtree containing T0136:Q 44 (43) jump= -0.37759 0.0688807 -0.644579 -0.661211 -1.17357 -48.2939 41.343 # jumping subtree containing T0136:H 39 (38) jump= 0.974621 -0.189047 0.0834481 0.0860964 -3.74859 -16.0087 1.3552 # Removing break before 38 # Removing break before 38 # jumping subtree containing T0136:D 60 (59) jump= -0.256698 -0.32709 -0.354056 -0.837713 6.37652 -61.7155 9.39314 # generation 31: best score out of 40: T0136.try1 61.9829 cost/residue, 96 clashes 0.0175169 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 301 ## TwoFragment 8 ## CrossOver 16 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 6 ## OptSubtree 290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 38 # generation 32: best score out of 40: T0136.try1 61.9829 cost/residue, 96 clashes 0.0175169 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 302 ## TwoFragment 8 ## CrossOver 16 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 6 ## OptSubtree 313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.46437 -0.0311548 0.475317 0.746635 23.1746 -62.4264 49.7252 # jumping subtree containing T0136:V 35 (34) jump= 0.902575 -0.0484198 -0.29652 -0.308366 3.25436 5.98641 -16.4995 # jumping subtree containing T0136:D 60 (59) jump= -0.634122 0.375115 -0.559495 -0.379661 -48.2944 -10.9317 -13.6634 # jumping subtree containing T0136:G 74 (73) jump= -0.897113 -0.351478 -0.0567748 0.261588 28.7737 -34.4754 -4.78045 # Removing break before 38 # jumping subtree containing T0136:Q 44 (43) jump= -0.770315 0.379831 -0.482179 0.172765 20.6769 22.3133 -29.262 # Removing break before 38 # jumping subtree containing T0136:E 36 (35) jump= 0.30102 0.508429 0.457207 -0.664717 28.7783 -52.027 -43.5093 # generation 33: best score out of 40: T0136.try1 61.9829 cost/residue, 96 clashes 0.0175169 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 302 ## TwoFragment 8 ## CrossOver 16 ## CrossAndInsert 28 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 6 ## OptSubtree 341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= -0.0717464 0.488864 0.692125 -0.526144 -10.0154 -52.9919 -81.153 # Removing break before 38 # Removing break before 38 # jumping subtree containing T0136:Q 44 (43) jump= -0.253669 -0.746204 0.584926 -0.191554 -37.4952 -22.097 -18.7847 # jumping subtree containing T0136:L 50 (49) jump= -0.757102 0.205441 -0.0306687 -0.619395 -20.2814 -42.1245 -25.9325 # jumping subtree containing T0136:G 74 (73) jump= -0.0455999 0.423594 -0.841172 -0.333043 -36.1573 -24.0381 11.1319 # Removing break before 38 # jumping subtree containing T0136:G 74 (73) jump= -0.997925 0.00561155 -0.0525302 -0.0367955 -6.42512 -16.6684 8.13145 # jumping subtree containing T0136:E 13 (12) jump= -0.242537 -0.0621055 -0.566389 0.785189 18.288 -65.3225 -47.5028 # generation 34: best score out of 40: T0136.try1 61.6627 cost/residue, 87 clashes 0.0119267 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 303 ## TwoFragment 8 ## CrossOver 16 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 6 ## OptSubtree 363 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= 0.625119 0.177203 -0.0428624 0.758939 -43.6438 -30.1286 12.5599 # Removing break before 38 # jumping subtree containing T0136:N 51 (50) jump= -0.995712 0.0209564 0.0672388 0.0599842 -9.67939 -11.0093 -12.7443 # generation 35: best score out of 40: T0136.try1 61.58 cost/residue, 129 clashes 0.0175169 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 306 ## TwoFragment 9 ## CrossOver 16 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 6 ## OptSubtree 383 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:G 74 (73) jump= -0.8536 0.501501 -0.116237 0.0797024 8.05625 16.9908 -55.7415 # jumping subtree containing T0136:V 35 (34) jump= -0.884386 0.234264 0.271749 0.298553 29.1112 17.042 -15.1366 # jumping subtree containing T0136:N 5 (4) jump= -0.617312 -0.0488982 0.778705 -0.100766 1.29099 -12.7847 -23.9128 # jumping subtree containing T0136:R 33 (32) jump= 0.171352 -0.801008 0.440145 0.367828 -35.6659 -35.8939 -0.286674 # jumping subtree containing T0136:D 60 (59) jump= -0.987948 0.11818 -0.0458031 0.0888541 -3.43073 -22.5071 -12.2059 # jumping subtree containing T0136:G 74 (73) jump= -0.46331 -0.714365 0.0522995 0.521816 22.7555 -104.49 34.4009 # jumping subtree containing T0136:G 74 (73) jump= -0.25726 -0.800319 0.0298246 0.540756 -2.01419 -84.2528 7.38174 # jumping subtree containing T0136:Q 44 (43) jump= -0.646857 0.687208 -0.00424804 0.33061 23.033 -39.2989 -70.6152 # jumping subtree containing T0136:Q 44 (43) jump= 0.00552081 0.664174 -0.747486 0.0103898 -45.521 -17.8496 -28.8293 # generation 36: best score out of 40: T0136.try1 61.5494 cost/residue, 117 clashes 0.0148918 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 308 ## TwoFragment 10 ## CrossOver 16 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 6 ## OptSubtree 412 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= -0.73966 0.296026 0.601939 -0.0542403 -12.3396 16.5244 -46.6903 # jumping subtree containing T0136:H 39 (38) jump= 0.296107 0.330278 -0.884762 0.142944 -52.5228 -16.0026 -8.14943 # jumping subtree containing T0136:Q 44 (43) jump= -0.868087 -0.293935 -0.294461 0.270775 17.8311 -44.4017 -5.15967 # Removing break before 39 # Removing break before 39 # generation 37: best score out of 40: T0136.try1 61.5494 cost/residue, 117 clashes 0.0148918 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 308 ## TwoFragment 10 ## CrossOver 16 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 6 ## OptSubtree 440 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.309894 0.803409 0.385363 0.331654 39.3309 -52.7066 18.7673 # jumping subtree containing T0136:G 74 (73) jump= -0.943237 0.223917 -0.233043 0.0765295 24.2778 16.8927 -26.0261 # jumping subtree containing T0136:Q 44 (43) jump= 0.985114 0.165821 0.0261853 -0.0369836 7.33043 -7.52264 5.46543 # generation 38: best score out of 40: T0136.try1 61.5494 cost/residue, 117 clashes 0.0148918 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 308 ## TwoFragment 10 ## CrossOver 17 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 7 ## OptSubtree 469 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 47 (46) jump= 0.830535 0.294897 0.0943643 0.462972 -24.2607 7.99526 20.8985 # jumping subtree containing T0136:G 74 (73) jump= -0.784935 0.230601 0.574962 -0.0109214 -13.4973 27.257 -28.1928 # jumping subtree containing T0136:G 74 (73) jump= 0.49091 0.0535558 0.631571 -0.59771 38.432 -37.5856 -33.6184 # jumping subtree containing T0136:N 51 (50) jump= -0.954808 0.292055 0.0251403 0.0491185 17.6039 -4.81175 -30.2938 # jumping subtree containing T0136:Q 44 (43) jump= 0.458035 0.44332 0.531964 0.557392 18.1976 -58.3671 6.04677 # jumping subtree containing T0136:N 51 (50) jump= -0.979015 -0.113654 -0.0405065 -0.164232 -0.55923 11.2566 -13.1953 # jumping subtree containing T0136:G 74 (73) jump= -0.949992 0.163066 0.0583668 0.259841 44.3556 -9.28614 -18.0552 # generation 39: best score out of 40: T0136.try1 61.4512 cost/residue, 124 clashes 0.0148918 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 308 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 10 ## OptSubtree 487 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # jumping subtree containing T0136:Q 44 (43) jump= 0.749649 0.384647 -0.0781313 -0.532886 10.5362 -43.654 20.1729 # jumping subtree containing T0136:G 74 (73) jump= -0.986715 -0.121603 -0.0858316 -0.0651153 -7.70196 13.0839 -9.41286 # jumping subtree containing T0136:N 51 (50) jump= -0.058418 -0.356574 -0.70967 0.604822 7.01482 -19.5253 -33.8318 # Removing break before 38 # jumping subtree containing T0136:D 60 (59) jump= -0.393134 0.671236 -0.615958 0.124435 -21.5045 -67.7288 -54.6533 # jumping subtree containing T0136:N 51 (50) jump= 0.98062 0.176863 0.0792662 0.0286632 -24.492 7.00203 25.8435 # jumping subtree containing T0136:A 1 (0) jump= 0.994281 -0.0625962 0.0498843 -0.0706956 -12.7863 -18.9361 -7.4828 # jumping subtree containing T0136:A 1 (0) jump= 0.952872 -0.215799 0.0495007 0.2074 -13.1115 -25.268 -40.443 # generation 40: best score out of 40: T0136.try1 61.3909 cost/residue, 127 clashes 0.0240811 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 309 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 10 ## OptSubtree 510 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 51 (50) jump= 0.777418 0.106646 0.564472 -0.256162 14.4057 2.2142 -38.9426 # jumping subtree containing T0136:G 74 (73) jump= -0.434596 -0.537598 0.704494 -0.160631 -70.2738 -21.2483 -21.765 # Removing break before 38 # jumping subtree containing T0136:D 60 (59) jump= 0.218451 0.383105 -0.888434 -0.127261 -53.4543 -30.6438 -4.8439 # jumping subtree containing T0136:N 51 (50) jump= 0.610957 -0.708275 0.276312 0.220749 -40.5088 -22.3437 -49.0362 # jumping subtree containing T0136:G 74 (73) jump= 0.418322 -0.759418 -0.287632 -0.406889 32.7993 -61.1469 -37.6193 # generation 41: best score out of 40: T0136.try1 61.3909 cost/residue, 127 clashes 0.0240811 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 310 ## TwoFragment 10 ## CrossOver 20 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 10 ## OptSubtree 540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.538958 0.191594 0.673845 0.467706 8.37494 -2.28651 25.4734 # jumping subtree containing T0136:A 1 (0) jump= -0.991713 -0.0997347 -0.0709415 0.0390669 25.4565 5.51396 17.5976 # jumping subtree containing T0136:S 40 (39) jump= 0.377732 -0.10602 0.840452 -0.37379 19.4662 -9.43493 -38.693 # jumping subtree containing T0136:D 60 (59) jump= -0.175513 0.160205 -0.388279 -0.890376 -50.3095 -75.9289 16.0575 # Removing break before 38 # jumping subtree containing T0136:G 74 (73) jump= -0.930352 -0.303465 0.167258 -0.119913 -13.5799 -18.962 -3.90667 # generation 42: best score out of 40: T0136.try1 61.3909 cost/residue, 127 clashes 0.0240812 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 310 ## TwoFragment 10 ## CrossOver 21 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 11 ## OptSubtree 568 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 51 (50) jump= 0.998383 0.0201333 -0.0219419 0.0484204 -13.8103 -15.648 -20.4217 # jumping subtree containing T0136:K 37 (36) jump= -0.81461 -0.048422 0.188813 -0.546275 -19.9963 -10.2208 -27.6654 # jumping subtree containing T0136:G 74 (73) jump= 0.86178 0.439203 -0.206436 0.14772 -32.7254 -46.5418 31.9648 # jumping subtree containing T0136:A 1 (0) jump= 0.955396 0.20151 -0.186463 -0.108832 7.78679 -13.7232 11.3407 # jumping subtree containing T0136:G 74 (73) jump= 0.838641 0.324785 0.00132027 -0.437258 49.8374 -17.6889 29.0377 # jumping subtree containing T0136:G 74 (73) jump= 0.786586 -0.0441725 -0.548112 -0.280898 2.58503 18.9106 17.7689 # jumping subtree containing T0136:G 74 (73) jump= 0.949207 -0.249502 -0.108085 0.158343 1.05326 -14.105 -20.3049 # jumping subtree containing T0136:A 1 (0) jump= -0.568894 0.267375 -0.00410903 0.777723 61.9851 -81.5182 -29.6941 # jumping subtree containing T0136:G 74 (73) jump= -0.869576 -0.350381 0.326699 -0.119744 -55.1698 -30.2072 17.6128 # jumping subtree containing T0136:A 1 (0) jump= 0.195216 -0.189118 -0.867747 -0.4161 15.8011 -42.557 28.3086 # generation 43: best score out of 40: T0136.try1 61.1184 cost/residue, 127 clashes 0.0300916 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 311 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 11 ## OptSubtree 590 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 19 (18) jump= -0.727367 -0.541659 -0.28503 0.310323 87.1431 -50.5646 54.9533 # jumping subtree containing T0136:G 42 (41) jump= -0.473041 0.280575 -0.403795 0.731068 27.5196 -57.6349 -31.1382 # jumping subtree containing T0136:G 74 (73) jump= -0.994958 0.0419323 0.0573679 -0.0707802 -3.37981 -18.8413 -20.5807 # jumping subtree containing T0136:G 74 (73) jump= -0.533005 -0.823217 0.194627 0.0184352 -5.62867 -93.8758 -2.359 # generation 44: best score out of 40: T0136.try1 61.1184 cost/residue, 127 clashes 0.0300917 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 312 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 11 ## OptSubtree 613 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.684804 0.0304784 0.230415 -0.690668 93.213 -14.5594 0.419539 # jumping subtree containing T0136:D 60 (59) jump= 0.944681 -0.0637713 0.0148755 -0.321386 1.71346 -0.166558 -6.88879 # jumping subtree containing T0136:A 1 (0) jump= 0.997436 0.0368414 -0.0611588 -0.00493857 6.5166 -8.40888 27.1332 # jumping subtree containing T0136:N 51 (50) jump= 0.0650316 0.778158 -0.466803 0.415133 -14.7052 -59.7487 -22.198 # jumping subtree containing T0136:D 60 (59) jump= -0.991048 0.126698 -0.0412807 0.00816321 1.92282 10.2346 4.72502 # jumping subtree containing T0136:N 51 (50) jump= 0.548576 -0.484913 0.291656 0.615517 -26.1137 -25.0822 13.4954 # generation 45: best score out of 40: T0136.try1 61.1184 cost/residue, 127 clashes 0.0300917 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 312 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 28 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 12 ## OptSubtree 645 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.996809 -0.0745502 -0.00635703 0.027807 16.5932 9.46769 -9.58078 # Removing break before 67 # jumping subtree containing T0136:D 60 (59) jump= -0.876467 -0.166205 0.213773 -0.398099 -25.7085 -9.4399 8.37218 # jumping subtree containing T0136:D 60 (59) jump= -0.577697 0.637501 0.174751 0.478875 4.82972 -46.9185 -39.055 # jumping subtree containing T0136:G 42 (41) jump= -0.992399 -0.022235 -0.0253415 0.118357 13.7758 25.5502 -4.55907 # jumping subtree containing T0136:D 60 (59) jump= 0.924218 -0.0677746 -0.0226865 -0.375117 46.7675 -6.08807 14.5608 # jumping subtree containing T0136:D 60 (59) jump= -0.439789 0.311991 0.83822 -0.0814478 -7.33763 8.55129 -50.9259 # jumping subtree containing T0136:D 60 (59) jump= 0.0562182 -0.400211 -0.637112 0.656323 22.7577 -58.1372 -52.8221 # generation 46: best score out of 40: T0136.try1 61.0488 cost/residue, 126 clashes 0.0313606 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 312 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 12 ## OptSubtree 669 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.422222 -0.234785 0.851359 -0.204431 -20.618 -25.8983 -23.5494 # jumping subtree containing T0136:A 1 (0) jump= -0.737012 -0.319144 -0.552183 0.223729 39.3126 -27.9595 34.361 # jumping subtree containing T0136:D 60 (59) jump= -0.66449 0.0387182 0.741118 -0.0877366 -9.34697 -6.13832 2.69194 # jumping subtree containing T0136:D 60 (59) jump= -0.935176 0.218272 0.274642 0.0487437 32.1515 -10.8121 -8.26023 # jumping subtree containing T0136:A 1 (0) jump= -0.029855 0.520435 0.704727 0.481265 23.5059 -46.2 41.844 # jumping subtree containing T0136:A 1 (0) jump= 0.0499837 0.67847 -0.732789 -0.0141414 -60.0255 -32.3028 -18.0421 # jumping subtree containing T0136:E 21 (20) jump= 0.879602 -0.219518 0.194164 0.374717 1.76727 -22.585 -22.0454 # jumping subtree containing T0136:G 74 (73) jump= 0.496375 -0.0498735 0.0243572 -0.866332 42.2626 -71.3096 -31.0727 # jumping subtree containing T0136:Q 44 (43) jump= 0.430474 0.201959 0.785534 -0.396033 -3.0104 -4.8315 -60.2028 # generation 47: best score out of 40: T0136.try1 61.0486 cost/residue, 126 clashes 0.0313606 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 312 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 14 ## OptSubtree 692 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 68 (67) jump= -0.970703 -0.214244 0.0908675 0.0598279 4.59954 -15.5852 34.8463 # jumping subtree containing T0136:G 74 (73) jump= 0.578512 -0.782489 0.209424 0.0957925 -27.0993 -61.5475 -66.5885 # jumping subtree containing T0136:R 15 (14) jump= 0.16348 -0.847113 0.12207 0.490685 -15.8172 -77.45 -11.0908 # jumping subtree containing T0136:Q 44 (43) jump= 0.275847 0.836664 -0.279109 0.382099 -25.9432 -88.6061 -8.2856 # jumping subtree containing T0136:G 74 (73) jump= -0.759306 0.56285 0.109479 -0.307682 -19.7881 -47.9772 -66.0799 # jumping subtree containing T0136:Q 44 (43) jump= -0.880903 0.0327115 -0.413804 -0.227391 5.87187 -12.8175 -3.20665 # jumping subtree containing T0136:L 19 (18) jump= -0.953362 0.0225652 0.050843 0.296659 24.3741 20.0601 0.289801 # jumping subtree containing T0136:G 74 (73) jump= 0.834524 0.254737 -0.409118 -0.267024 3.89776 5.5524 6.34661 # generation 48: best score out of 40: T0136.try1 61.0486 cost/residue, 126 clashes 0.0313606 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 312 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 17 ## OptSubtree 719 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.425606 0.543112 0.690364 -0.217454 34.4642 -51.5071 19.8321 # jumping subtree containing T0136:N 3 (2) jump= 0.993438 0.102549 0.0506422 0.000344894 -3.8661 10.578 11.0854 # jumping subtree containing T0136:G 74 (73) jump= 0.985355 -0.0812482 0.127618 -0.0786693 18.1686 22.4789 -27.6585 # jumping subtree containing T0136:G 74 (73) jump= -0.211997 0.545867 0.253941 0.769806 50.2126 -66.2074 0.431196 # jumping subtree containing T0136:G 42 (41) jump= 0.16675 0.482165 0.813257 0.279866 55.2247 -39.9515 -2.35909 # jumping subtree containing T0136:G 74 (73) jump= -0.17211 0.0439147 -0.395394 0.901173 39.6589 -95.7907 -50.4544 # jumping subtree containing T0136:Q 22 (21) jump= 0.95033 0.0769679 -0.282948 0.104357 -30.7118 18.9815 -12.0137 # jumping subtree containing T0136:G 42 (41) jump= 0.422611 -0.297347 -0.824466 -0.23074 -3.35419 5.3822 -49.6152 # jumping subtree containing T0136:D 60 (59) jump= -0.0613808 -0.132817 0.905787 -0.397671 -10.9491 -36.1275 -96.2733 # jumping subtree containing T0136:G 42 (41) jump= -0.812412 0.402654 -0.388125 -0.164972 -31.1864 25.7091 -41.2459 # jumping subtree containing T0136:Q 44 (43) jump= 0.741572 0.605189 0.200168 0.209167 4.08756 -79.0903 57.4123 # jumping subtree containing T0136:Q 44 (43) jump= 0.713396 0.685009 0.14429 -0.0317474 4.07769 -62.1569 32.6586 # jumping subtree containing T0136:Q 44 (43) jump= 0.998697 0.0477355 -0.0178747 0.00247093 24.5895 -9.05411 14.8765 # generation 49: best score out of 40: T0136.try1 60.9751 cost/residue, 121 clashes 0.0313604 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 313 ## TwoFragment 10 ## CrossOver 23 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 17 ## OptSubtree 744 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 22 (21) jump= -0.989307 -0.0317228 -0.0736483 0.121826 6.38341 1.17807 10.5162 # jumping subtree containing T0136:D 60 (59) jump= 0.687374 0.266759 0.547132 0.396237 15.005 -14.8055 35.6411 # jumping subtree containing T0136:G 42 (41) jump= -0.73963 -0.339976 0.310089 -0.49113 -53.7332 -92.8062 -27.6953 # jumping subtree containing T0136:Q 22 (21) jump= -0.961942 -0.0950313 -0.246788 0.0687882 -0.416613 2.34577 19.7634 # jumping subtree containing T0136:D 60 (59) jump= 0.895916 0.00238945 -0.423677 0.133519 -32.8481 24.9964 -8.2471 # jumping subtree containing T0136:D 60 (59) jump= 0.973643 0.0984754 0.182109 0.0956996 4.0614 -32.2022 -8.40025 # jumping subtree containing T0136:D 60 (59) jump= 0.365325 -0.14097 0.12041 -0.912231 72.3196 -79.8692 -29.4861 # jumping subtree containing T0136:Q 22 (21) jump= 0.0767562 -0.874022 -0.479714 0.00832434 25.7051 -29.5158 -65.5358 # jumping subtree containing T0136:D 60 (59) jump= -0.542919 -0.515965 -0.654316 -0.104355 58.4304 -18.8473 -0.139909 # jumping subtree containing T0136:D 60 (59) jump= -0.876607 -0.282245 -0.362282 0.143702 50.1336 -12.8354 6.85588 # jumping subtree containing T0136:A 28 (27) jump= -0.614119 -0.0476907 0.715045 0.330595 -31.1389 -12.2634 20.481 # generation 50: best score out of 40: T0136.try1 60.9751 cost/residue, 121 clashes 0.0313604 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 313 ## TwoFragment 10 ## CrossOver 23 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 18 ## OptSubtree 767 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.993344 -0.0907523 -0.046227 0.0538109 11.7228 -1.37232 8.88881 # jumping subtree containing T0136:Q 22 (21) jump= 0.441956 -0.319741 0.30468 0.780776 -38.3258 -98.6509 20.949 # jumping subtree containing T0136:G 74 (73) jump= -0.65068 0.729434 0.209667 0.0241192 21.1324 -18.5754 -111.215 # jumping subtree containing T0136:G 74 (73) jump= 0.943959 -0.107859 0.0475303 0.308299 -9.13505 7.60685 -14.9511 # jumping subtree containing T0136:G 74 (73) jump= 0.875807 0.340323 0.341145 -0.0276135 36.6459 -5.47644 15.7738 # jumping subtree containing T0136:Q 44 (43) jump= 0.796223 -0.245058 0.490043 -0.25658 52.9872 11.4994 -64.6036 # generation 51: best score out of 40: T0136.try1 60.9751 cost/residue, 121 clashes 0.0313604 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 313 ## TwoFragment 10 ## CrossOver 23 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 19 ## OptSubtree 797 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= 0.478171 0.643175 0.46083 -0.381202 16.3291 -25.8176 14.3378 # jumping subtree containing T0136:D 60 (59) jump= 0.864654 -0.0766758 -0.413626 -0.274606 16.8352 4.57934 12.58 # jumping subtree containing T0136:H 68 (67) jump= -0.985865 0.149398 0.0757801 -0.00297537 -8.98862 23.2455 0.724324 # jumping subtree containing T0136:D 60 (59) jump= 0.7026 0.236139 -0.646569 0.180389 -57.6741 -27.4228 1.95155 # jumping subtree containing T0136:G 42 (41) jump= 0.483633 0.445561 -0.753104 0.0202048 -22.2896 -18.7631 7.32538 # jumping subtree containing T0136:G 74 (73) jump= 0.121759 -0.496651 -0.796948 -0.321537 45.4535 -44.9765 -7.8894 # jumping subtree containing T0136:G 42 (41) jump= 0.960849 -0.198304 -0.101604 0.164685 -6.01341 -4.14719 8.99332 # jumping subtree containing T0136:D 60 (59) jump= 0.713107 -0.554136 -0.327495 -0.277776 21.8845 -26.2482 -40.1827 # jumping subtree containing T0136:D 60 (59) jump= 0.238575 -0.374756 -0.833491 -0.32853 -11.2359 -19.0407 -8.65857 # jumping subtree containing T0136:A 1 (0) jump= 0.336566 0.215288 0.486757 -0.776815 25.4336 -31.0961 -30.2774 # jumping subtree containing T0136:G 74 (73) jump= 0.50138 0.841993 0.198289 0.0186491 3.35534 -88.0423 29.8535 # generation 52: best score out of 40: T0136.try1 60.9751 cost/residue, 121 clashes 0.0313603 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 313 ## TwoFragment 10 ## CrossOver 24 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 19 ## OptSubtree 820 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 6 (5) jump= -0.997411 -0.0659811 0.0273758 -0.00823722 -12.1476 26.912 4.73559 # Removing break before 67 # jumping subtree containing T0136:D 60 (59) jump= 0.0750992 0.230707 -0.80127 0.546901 -19.331 -58.4243 -37.7646 # jumping subtree containing T0136:R 15 (14) jump= -0.177254 -0.0436407 -0.1373 -0.973563 -8.04181 -52.1852 10.3664 # jumping subtree containing T0136:H 68 (67) jump= -0.897569 0.321812 -0.28177 0.106826 -3.80285 -0.303674 -13.0721 # jumping subtree containing T0136:A 1 (0) jump= 0.676239 -0.349071 -0.460063 0.457375 0.489538 -6.31289 -33.1915 # jumping subtree containing T0136:A 1 (0) jump= -0.11866 0.428625 -0.882766 -0.151408 -57.1362 -31.6138 6.68782 # jumping subtree containing T0136:G 74 (73) jump= -0.893218 -0.364629 0.18461 -0.18742 -28.0241 -39.7878 8.94427 # jumping subtree containing T0136:Q 18 (17) jump= -0.842011 -0.379418 0.122639 0.363344 35.4444 -19.0593 36.5568 # jumping subtree containing T0136:D 60 (59) jump= 0.489494 -0.648526 -0.498748 -0.301763 20.119 -24.6472 -32.7426 # generation 53: best score out of 40: T0136.try1 60.975 cost/residue, 121 clashes 0.0313604 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 313 ## TwoFragment 10 ## CrossOver 26 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 20 ## OptSubtree 841 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.945016 0.169882 0.120536 0.252103 10.4757 -24.6771 -11.6281 # jumping subtree containing T0136:G 74 (73) jump= 0.562048 0.218697 -0.652317 0.459082 -51.8287 -63.071 -29.1944 # jumping subtree containing T0136:G 74 (73) jump= 0.284971 0.363079 -0.322837 -0.826282 -15.4424 -58.5614 15.4324 # jumping subtree containing T0136:D 60 (59) jump= 0.512089 -0.850099 -0.0239318 -0.120512 -9.94496 -35.5993 -65.5028 # jumping subtree containing T0136:D 60 (59) jump= 0.380424 -0.357061 0.720912 -0.456147 -29.4133 -30.8037 -64.7915 # jumping subtree containing T0136:G 74 (73) jump= -0.956438 0.0231519 -0.0943612 -0.275295 -20.644 5.94566 26.4458 # jumping subtree containing T0136:R 23 (22) jump= 0.651851 0.550273 -0.458957 -0.248292 -22.7045 -36.3549 24.0354 # jumping subtree containing T0136:G 74 (73) jump= 0.40734 -0.529119 0.345493 -0.659349 31.8739 -48.9333 -63.7741 # generation 54: best score out of 40: T0136.try1 60.975 cost/residue, 121 clashes 0.0313604 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 313 ## TwoFragment 10 ## CrossOver 27 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 20 ## OptSubtree 864 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 68 (67) jump= 0.596323 -0.663669 -0.366981 -0.263187 20.6469 -32.1631 -57.8028 # jumping subtree containing T0136:K 43 (42) jump= 0.475254 -0.715724 0.501678 0.100953 -15.5208 -33.2834 -28.3332 # jumping subtree containing T0136:Q 44 (43) jump= -0.862661 -0.13858 -0.0690104 0.481506 54.8039 3.89884 5.63251 # jumping subtree containing T0136:G 30 (29) jump= 0.765159 -0.231922 -0.0214674 -0.600236 -4.10012 -14.3659 -4.18623 # jumping subtree containing T0136:G 74 (73) jump= 0.487953 0.553204 -0.646031 0.196243 -41.2675 -29.5058 -1.00647 # jumping subtree containing T0136:G 74 (73) jump= -0.548053 0.822755 -0.0286943 -0.147949 5.27797 -73.0457 -72.9287 # jumping subtree containing T0136:D 60 (59) jump= -0.980611 -0.0679973 0.0303639 0.181261 24.3338 8.68136 12.4926 # jumping subtree containing T0136:G 74 (73) jump= -0.99262 -0.036973 0.115274 -0.00707921 9.28861 19.7746 -4.02757 # generation 55: best score out of 40: T0136.try1 60.9677 cost/residue, 121 clashes 0.0314538 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 28 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 20 ## OptSubtree 886 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.628003 -0.205258 -0.743358 0.104402 31.9652 20.2019 8.61068 # jumping subtree containing T0136:A 1 (0) jump= 0.555864 0.703073 0.406341 0.177738 22.5381 -52.7601 42.4441 # jumping subtree containing T0136:N 3 (2) jump= 0.882915 0.330134 -0.333186 0.0214593 -5.70328 -36.2373 13.6868 # jumping subtree containing T0136:D 60 (59) jump= -0.91067 -0.144433 0.37192 0.107216 -8.3752 -24.9393 6.16813 # jumping subtree containing T0136:G 42 (41) jump= 0.694017 0.0336943 0.287465 0.659219 -16.0792 -50.9494 6.29847 # jumping subtree containing T0136:V 62 (61) jump= -0.747768 0.31186 0.512832 -0.283882 -44.7093 -17.3909 -35.4925 # jumping subtree containing T0136:G 74 (73) jump= -0.569532 -0.0421828 -0.0752911 0.817426 22.2757 -45.2981 2.0418 # jumping subtree containing T0136:G 74 (73) jump= 0.999345 -0.00403205 0.0322002 0.0160175 -13.1035 -12.1779 1.34628 # jumping subtree containing T0136:H 68 (67) jump= -0.873447 -0.134681 -0.0561564 -0.46454 -37.5306 4.8877 -2.36189 # jumping subtree containing T0136:D 60 (59) jump= 0.812727 0.189049 0.0904285 -0.543653 45.1379 -30.9953 12.9552 # jumping subtree containing T0136:H 68 (67) jump= -0.323383 -0.660925 0.493756 -0.463473 -63.7642 -70.4418 33.8523 # jumping subtree containing T0136:A 1 (0) jump= 0.80667 0.579096 -0.034769 0.112792 10.5436 -24.1897 34.938 # generation 56: best score out of 40: T0136.try1 60.9677 cost/residue, 121 clashes 0.0314538 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 28 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 20 ## OptSubtree 910 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.999817 -0.0121709 -0.00679241 -0.0130861 14.2335 -6.34914 19.4372 # jumping subtree containing T0136:D 60 (59) jump= 0.162034 0.118111 -0.359312 -0.911422 -15.7269 -43.2463 31.9358 # jumping subtree containing T0136:G 74 (73) jump= 0.0475963 0.558602 0.19521 -0.804731 -3.36742 -82.7994 -41.5557 # jumping subtree containing T0136:G 74 (73) jump= -0.483248 -0.203752 -0.0155927 -0.851301 -20.8463 -56.2945 -8.70259 # jumping subtree containing T0136:G 74 (73) jump= 0.288329 0.439487 0.431133 -0.733377 23.1254 -64.0699 -43.0999 # jumping subtree containing T0136:G 42 (41) jump= 0.758236 -0.299782 -0.451807 -0.362048 46.6503 -5.51328 -4.82706 # jumping subtree containing T0136:G 74 (73) jump= 0.964431 0.159281 0.174247 -0.118913 10.5517 -0.764749 11.19 # jumping subtree containing T0136:Q 44 (43) jump= 0.631857 -0.0774913 -0.75647 -0.150017 25.0974 20.5974 7.53132 # jumping subtree containing T0136:L 50 (49) jump= -0.408504 0.327382 -0.556474 -0.645199 -22.0034 -27.4957 7.99035 # generation 57: best score out of 40: T0136.try1 60.9676 cost/residue, 121 clashes 0.031454 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 28 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 22 ## OptSubtree 943 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.231405 -0.237537 0.112423 0.93669 -31.2896 -65.2332 -18.0702 # jumping subtree containing T0136:G 42 (41) jump= -0.948582 -0.024433 0.257252 -0.182804 -18.6312 -15.2867 19.9495 # jumping subtree containing T0136:F 59 (58) jump= 0.66445 -0.439066 -0.0152416 -0.604562 53.7891 -41.8095 -36.2367 # jumping subtree containing T0136:G 42 (41) jump= -0.985532 0.147636 -0.0637013 0.0536006 12.6049 -6.83075 -8.57926 # jumping subtree containing T0136:D 60 (59) jump= 0.900729 -0.388216 -0.0390254 0.190927 1.98092 -10.4204 -23.3382 # jumping subtree containing T0136:D 60 (59) jump= -0.326219 -0.0521001 0.9438 0.0103797 -13.177 16.6944 -34.5805 # jumping subtree containing T0136:G 74 (73) jump= -0.263023 -0.502303 0.45977 -0.683464 -26.7755 -70.4615 -18.8441 # jumping subtree containing T0136:D 60 (59) jump= 0.586566 0.696107 0.143562 -0.388285 15.4029 -70.0464 -10.0994 # jumping subtree containing T0136:G 42 (41) jump= 0.728183 -0.181419 0.164375 -0.64017 34.2553 -35.2084 -24.1094 # jumping subtree containing T0136:G 42 (41) jump= 0.896914 0.25929 0.147487 -0.326438 21.5793 -18.3312 0.225992 # generation 58: best score out of 40: T0136.try1 60.9676 cost/residue, 121 clashes 0.031454 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 29 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 23 ## OptSubtree 965 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= -0.536817 -0.825608 -0.139723 0.103325 -3.94616 -39.4972 9.52846 # jumping subtree containing T0136:H 68 (67) jump= -0.833943 0.378063 -0.351161 -0.195687 -37.4043 -1.7091 -34.0442 # jumping subtree containing T0136:G 74 (73) jump= 0.761195 0.53777 0.174594 0.317652 -1.414 -48.4107 62.3927 # jumping subtree containing T0136:G 74 (73) jump= -0.374985 -0.0616794 0.211662 0.900434 3.90374 -74.7183 32.9661 # jumping subtree containing T0136:D 60 (59) jump= -0.178525 0.418738 -0.510384 0.729586 -5.40882 -80.7818 -45.7785 # jumping subtree containing T0136:G 42 (41) jump= -0.113083 -0.473217 0.871427 0.0623835 -6.65414 -4.08148 -4.68478 # generation 59: best score out of 40: T0136.try1 60.9676 cost/residue, 121 clashes 0.031454 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 30 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 23 ## OptSubtree 988 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 68 (67) jump= -0.22729 0.511188 0.809869 0.176458 48.6637 -34.818 -77.8408 # jumping subtree containing T0136:D 60 (59) jump= 0.466125 0.267664 0.819359 0.199336 -13.596 -7.27737 -3.52792 # jumping subtree containing T0136:D 60 (59) jump= 0.561305 0.0449113 0.607533 0.560199 -44.708 -4.53386 25.7898 # jumping subtree containing T0136:D 60 (59) jump= 0.233715 0.581274 0.695862 0.351104 33.6349 -2.73137 15.0819 # jumping subtree containing T0136:Q 44 (43) jump= 0.861698 0.307055 -0.395547 0.0820748 -19.0421 -29.6622 10.0087 # jumping subtree containing T0136:L 8 (7) jump= 0.816478 0.279721 -0.304587 0.402922 -31.8726 -20.6144 -1.07002 # jumping subtree containing T0136:Q 44 (43) jump= 0.310727 -0.516292 0.791017 0.105752 -25.4992 -25.0936 -23.9511 # jumping subtree containing T0136:G 42 (41) jump= -0.868538 0.432797 0.0804911 0.227706 44.5103 -47.4162 -32.2328 # jumping subtree containing T0136:G 42 (41) jump= 0.97813 0.198667 -0.0121472 0.0603777 -23.1397 12.0597 1.89061 # generation 60: best score out of 40: T0136.try1 60.9676 cost/residue, 121 clashes 0.031454 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 31 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 23 ## OptSubtree 1011 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.850853 0.467987 0.115446 -0.209069 4.77086 -2.07269 -53.1117 # jumping subtree containing T0136:Q 44 (43) jump= 0.838604 -0.0897324 0.0153714 0.537081 -23.991 -0.560726 -6.74805 # jumping subtree containing T0136:G 42 (41) jump= 0.643432 0.676902 -0.14865 -0.325119 16.5281 -63.9811 80.3534 # jumping subtree containing T0136:V 16 (15) jump= -0.724168 0.610979 -0.245414 0.20508 -2.01882 -24.2035 -6.07892 # jumping subtree containing T0136:E 32 (31) jump= -0.881151 -0.14226 0.312188 0.325383 14.7183 -22.7565 -2.90195 # jumping subtree containing T0136:G 42 (41) jump= 0.946389 -0.148032 -0.189145 0.216006 -5.38717 -29.6172 -4.733 # jumping subtree containing T0136:R 23 (22) jump= -0.0817347 -0.416227 -0.794259 -0.435002 19.8737 -11.2644 -4.86801 # jumping subtree containing T0136:D 60 (59) jump= -0.835156 -0.155089 0.0122797 -0.527553 -25.717 -4.39307 34.9831 # jumping subtree containing T0136:N 52 (51) jump= 0.992544 -0.0512831 0.0533626 0.0968425 -1.21527 -13.0095 2.27414 # jumping subtree containing T0136:A 1 (0) jump= -0.465107 0.0771574 -0.869004 0.150178 -8.19091 -21.0319 8.04072 # jumping subtree containing T0136:D 60 (59) jump= -0.218944 0.502131 0.579453 -0.603458 -5.10698 -34.9702 -37.155 # jumping subtree containing T0136:G 74 (73) jump= 0.998145 -0.0123732 -0.0478828 -0.0355051 10.3366 21.6975 1.33826 # jumping subtree containing T0136:Q 44 (43) jump= -0.24209 0.388032 -0.800453 -0.387425 -4.05974 -8.86242 10.1034 # generation 61: best score out of 40: T0136.try1 60.9676 cost/residue, 121 clashes 0.031454 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 31 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 23 ## OptSubtree 1035 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.991027 -0.0147003 0.132818 0.00312591 7.55117 -15.3197 -11.6497 # jumping subtree containing T0136:D 60 (59) jump= -0.512444 0.610764 -0.479785 -0.3663 -52.9684 -1.38987 -27.2421 # jumping subtree containing T0136:G 74 (73) jump= 0.0763593 -0.411975 -0.904433 -0.0802893 47.2734 -1.81235 -30.8774 # jumping subtree containing T0136:G 74 (73) jump= 0.567128 0.769138 -0.00333498 0.294587 -18.3663 -84.1975 10.8028 # jumping subtree containing T0136:G 74 (73) jump= 0.539297 -0.192759 0.559698 0.59895 -24.6442 -7.46015 9.0339 # generation 62: best score out of 40: T0136.try1 60.9676 cost/residue, 121 clashes 0.031454 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 31 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 24 ## OptSubtree 1064 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= -0.852178 -0.341968 -0.320508 0.232646 54.507 -32.3577 14.1312 # jumping subtree containing T0136:G 74 (73) jump= 0.762459 0.222403 -0.584649 0.165466 -39.4301 0.700194 -8.96668 # jumping subtree containing T0136:V 16 (15) jump= -0.900901 0.157179 -0.333042 0.229683 10.9603 -6.03735 -37.727 # jumping subtree containing T0136:N 52 (51) jump= -0.830814 0.00953388 0.555351 0.0352402 17.6234 -4.02599 16.9163 # jumping subtree containing T0136:D 60 (59) jump= -0.999194 0.0166187 -0.0289311 0.0223271 -0.664477 26.5007 -12.0823 # jumping subtree containing T0136:G 74 (73) jump= -0.667733 0.72536 -0.167253 0.00350133 0.38605 -11.5996 -76.964 # jumping subtree containing T0136:D 60 (59) jump= 0.516731 -0.847695 -0.0134133 0.119256 -10.9571 -68.0546 -75.3588 # jumping subtree containing T0136:G 74 (73) jump= -0.336864 0.187204 -0.20295 0.90016 28.4448 -62.9248 -11.3133 # generation 63: best score out of 40: T0136.try1 60.9675 cost/residue, 121 clashes 0.0314536 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 314 ## TwoFragment 10 ## CrossOver 32 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 25 ## OptSubtree 1086 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.702952 -0.535371 0.045539 -0.466007 27.5984 21.1373 -42.3022 # jumping subtree containing T0136:Q 44 (43) jump= 0.696781 0.0326383 -0.312033 -0.645033 48.7924 -5.29388 0.630841 # jumping subtree containing T0136:G 74 (73) jump= 0.92162 0.165486 0.350084 0.0259214 13.6298 -1.25887 29.9281 # jumping subtree containing T0136:D 60 (59) jump= 0.930684 -0.311499 -0.169197 -0.0903771 -10.164 -2.44718 -16.6973 # jumping subtree containing T0136:D 60 (59) jump= -0.801627 -0.445859 0.397802 0.0188918 -17.283 -9.31223 20.3415 # jumping subtree containing T0136:G 74 (73) jump= -1 -8.43878e-06 0.000370804 0.000810825 12.7517 -2.67717 -12.8958 # generation 64: best score out of 40: T0136.try1 60.8491 cost/residue, 121 clashes 0.0524715 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 315 ## TwoFragment 10 ## CrossOver 32 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 25 ## OptSubtree 1109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.716014 -0.613434 0.315635 -0.106759 32.8417 3.73842 -54.4965 # jumping subtree containing T0136:G 74 (73) jump= -0.594895 0.222716 0.306135 -0.709069 -30.5725 -41.0917 3.87822 # jumping subtree containing T0136:Q 44 (43) jump= 0.246354 -0.740595 0.0802874 -0.619986 15.7879 -62.3827 -49.0881 # jumping subtree containing T0136:G 74 (73) jump= 0.852434 -0.0542019 0.517732 -0.048707 21.6275 -1.05812 -31.3751 # jumping subtree containing T0136:Q 44 (43) jump= 0.937278 0.0179236 -0.34549 -0.042724 26.4981 6.4057 -6.34855 # jumping subtree containing T0136:I 26 (25) jump= 0.795803 -0.25068 0.398917 0.380423 -13.6311 -4.64672 -6.11073 # jumping subtree containing T0136:D 60 (59) jump= -0.0333301 0.171996 0.321064 0.930712 38.1758 -63.4487 33.6398 # jumping subtree containing T0136:D 60 (59) jump= -0.264066 -0.586426 0.679103 0.353826 -27.757 -49.7218 7.0173 # Removing break moved up 3 to before 21 # jumping subtree containing T0136:I 26 (25) jump= 0.805893 -0.0560741 -0.571208 -0.145305 23.475 -17.8026 1.41879 # jumping subtree containing T0136:D 60 (59) jump= 0.949333 -0.168886 -0.260637 -0.048094 11.1836 9.28019 -31.519 # jumping subtree containing T0136:D 60 (59) jump= 0.951975 -0.0903267 0.23667 0.171964 -0.867318 2.5717 1.0288 # jumping subtree containing T0136:I 26 (25) jump= 0.053082 0.283742 0.928713 0.232735 31.7297 11.3438 17.3844 # jumping subtree containing T0136:A 1 (0) jump= -0.952951 -0.179441 -0.23803 -0.0550248 19.9257 11.9545 13.089 # generation 65: best score out of 40: T0136.try1 60.8491 cost/residue, 121 clashes 0.0524715 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 315 ## TwoFragment 10 ## CrossOver 34 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 25 ## OptSubtree 1131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 19 (18) jump= -0.117843 -0.348873 0.738453 0.564878 -23.5013 49.2151 -62.6689 # jumping subtree containing T0136:G 74 (73) jump= 0.573486 -0.220184 0.475611 -0.629625 41.6414 -26.5366 -31.3753 # jumping subtree containing T0136:G 74 (73) jump= 0.50946 0.125458 0.481435 0.702091 -4.67653 1.50167 -3.75253 # jumping subtree containing T0136:G 74 (73) jump= 0.0908809 -0.936909 0.331145 -0.065466 19.1668 -21.5362 -60.1204 # jumping subtree containing T0136:D 60 (59) jump= 0.38089 -0.563655 0.242799 -0.691566 55.2025 -25.7176 -44.7956 # jumping subtree containing T0136:H 68 (67) jump= -0.778214 -0.0228664 -0.262311 0.570134 33.9892 -31.898 -23.8079 # jumping subtree containing T0136:G 42 (41) jump= 0.975166 0.0143718 -0.21853 0.0329969 -14.6714 10.925 -11.0306 # generation 66: best score out of 40: T0136.try1 60.8071 cost/residue, 129 clashes 0.0563098 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 316 ## TwoFragment 10 ## CrossOver 34 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 26 ## OptSubtree 1158 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 21 # jumping subtree containing T0136:N 4 (3) jump= -0.615998 0.756575 -0.182778 -0.121378 -13.6087 -4.85148 -43.9892 # jumping subtree containing T0136:G 74 (73) jump= 0.991981 0.0172681 0.0855697 0.0913932 0.552602 -12.968 17.7271 # jumping subtree containing T0136:I 26 (25) jump= -0.936299 -0.0704915 -0.343099 0.0256656 36.8122 -0.566086 -2.43805 # jumping subtree containing T0136:G 74 (73) jump= -0.804325 0.301108 0.246462 0.449056 35.54 21.7626 -37.8155 # jumping subtree containing T0136:G 74 (73) jump= 0.297622 -0.409899 -0.318072 -0.801396 51.7297 -18.5259 -36.0515 # jumping subtree containing T0136:D 60 (59) jump= 0.880365 0.154312 0.212451 -0.39498 17.2745 -27.5691 18.1821 # jumping subtree containing T0136:G 74 (73) jump= -0.795444 0.359445 0.16741 0.458303 17.1728 26.4754 -30.9918 # jumping subtree containing T0136:D 60 (59) jump= 0.960059 -0.0128309 -0.161208 0.228331 -27.2874 4.3747 -24.3584 # jumping subtree containing T0136:G 74 (73) jump= -0.880703 -0.325615 0.246822 -0.239618 -20.6029 -3.82814 -6.75623 # jumping subtree containing T0136:N 4 (3) jump= -0.735812 0.0281082 0.245007 -0.630683 -22.732 -1.49719 -16.3399 # Removing break moved up 3 to before 21 # generation 67: best score out of 40: T0136.try1 60.8071 cost/residue, 129 clashes 0.0563096 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 316 ## TwoFragment 10 ## CrossOver 35 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 26 ## OptSubtree 1184 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.644913 0.268793 -0.305692 -0.646831 10.9411 -6.43676 -11.2727 # jumping subtree containing T0136:I 26 (25) jump= -0.815782 -0.0912747 0.138873 0.553971 4.39419 -12.0417 18.6644 # jumping subtree containing T0136:G 42 (41) jump= 0.708869 -0.548127 0.44391 -0.00240642 32.1244 32.9689 -66.5337 # jumping subtree containing T0136:N 4 (3) jump= 0.764528 -0.641568 0.00410253 0.0622099 26.2145 16.5907 -35.9897 # Removing break moved up 3 to before 21 # jumping subtree containing T0136:G 74 (73) jump= -0.741982 0.377521 0.303147 -0.463726 -42.7985 5.00306 -43.525 # Removing break before 67 # jumping subtree containing T0136:G 74 (73) jump= -0.795207 -0.30816 -0.498473 0.155588 44.336 -25.2876 -3.09305 # jumping subtree containing T0136:D 60 (59) jump= -0.650807 -0.640359 0.405904 0.0404037 -29.5303 -66.5461 -15.8131 # jumping subtree containing T0136:G 74 (73) jump= 0.997302 -0.0318529 0.0558355 -0.0354435 -7.87146 -8.72771 -16.9026 # generation 68: best score out of 40: T0136.try1 60.4214 cost/residue, 131 clashes 0.0706931 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 317 ## TwoFragment 10 ## CrossOver 37 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 27 ## OptSubtree 1209 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= -0.720004 -0.325675 0.252778 -0.55824 -7.77329 -54.6564 10.4028 # jumping subtree containing T0136:G 42 (41) jump= -0.0972943 -0.463368 -0.0586843 0.878852 20.1752 -39.2776 -17.5634 # jumping subtree containing T0136:Q 44 (43) jump= -0.865002 0.133051 0.47136 0.109038 -33.6967 13.9809 -40.4657 # jumping subtree containing T0136:N 52 (51) jump= -0.529415 0.150295 0.272686 0.78916 -14.2902 3.3604 -3.58316 # jumping subtree containing T0136:I 26 (25) jump= -0.156068 0.241089 -0.532188 0.796426 50.6601 -41.0678 -37.4696 # jumping subtree containing T0136:E 27 (26) jump= -0.101723 0.245214 0.895033 -0.358383 -16.0219 -27.0758 -107.239 # jumping subtree containing T0136:G 74 (73) jump= -0.991352 0.0953384 0.0359448 0.0826971 1.75106 29.6362 -16.2405 # generation 69: best score out of 40: T0136.try1 60.4214 cost/residue, 131 clashes 0.0706933 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 317 ## TwoFragment 10 ## CrossOver 38 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 28 ## OptSubtree 1231 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.971772 0.0842942 0.218505 -0.0284355 -18.4088 9.93831 -1.24353 # jumping subtree containing T0136:A 1 (0) jump= 0.9442 0.0760951 -0.311714 0.0743599 -4.39912 -14.8338 13.6056 # jumping subtree containing T0136:Q 44 (43) jump= -0.78578 0.139517 -0.124709 -0.589519 21.3651 -19.682 -8.56043 # jumping subtree containing T0136:Q 44 (43) jump= 0.901561 0.0437972 0.0567886 -0.426666 41.9965 6.88944 19.7079 # jumping subtree containing T0136:I 26 (25) jump= 0.544492 -0.385027 0.691575 -0.277501 39.6313 -20.2952 -73.7896 # jumping subtree containing T0136:N 4 (3) jump= -0.661788 -0.166858 0.555543 0.474939 3.90847 -6.91601 -27.9079 # jumping subtree containing T0136:V 35 (34) jump= -0.99203 -0.028782 -0.088003 -0.085466 5.22593 8.67687 -12.1952 # jumping subtree containing T0136:I 26 (25) jump= -0.996903 -0.0223698 -0.075348 -0.00257541 18.3626 -10.3504 26.2862 # jumping subtree containing T0136:F 65 (64) jump= -0.975516 0.0871727 0.158763 0.124752 8.38305 21.588 -0.624883 # jumping subtree containing T0136:L 19 (18) jump= -0.0886966 0.310979 0.687807 -0.649882 9.20215 -56.0447 -45.1688 # jumping subtree containing T0136:L 19 (18) jump= 0.0885485 0.555671 0.426372 -0.708234 -24.8658 -65.3386 -56.2593 # generation 70: best score out of 40: T0136.try1 60.4214 cost/residue, 131 clashes 0.0706932 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 317 ## TwoFragment 10 ## CrossOver 38 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 28 ## OptSubtree 1266 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 68 (67) jump= 0.477036 0.600152 0.575904 0.283881 75.5736 -19.7869 -91.2469 # jumping subtree containing T0136:G 31 (30) jump= -0.741787 0.319367 -0.453296 -0.377199 -3.00588 40.9205 -45.4478 # jumping subtree containing T0136:G 74 (73) jump= -0.617016 -0.584641 0.231849 0.473003 -57.4206 -92.1987 -27.6834 # jumping subtree containing T0136:G 74 (73) jump= -0.15232 -0.729327 -0.435993 0.504767 -30.9993 -55.762 -121.808 # jumping subtree containing T0136:G 74 (73) jump= 0.617104 -0.443049 0.351827 0.546908 -25.257 29.445 -24.5588 # jumping subtree containing T0136:E 27 (26) jump= -0.451945 0.390477 0.0880421 0.797196 16.0315 12.0893 -36.2283 # jumping subtree containing T0136:G 74 (73) jump= 0.57121 0.212203 -0.644755 -0.461498 -85.3366 26.6353 -36.5053 # jumping subtree containing T0136:G 74 (73) jump= 0.811055 0.138406 -0.0749903 0.563391 -1.31106 -28.4745 9.12722 # jumping subtree containing T0136:G 74 (73) jump= 0.691008 0.673123 0.247777 -0.0895584 8.2357 -101.744 -61.3456 # jumping subtree containing T0136:G 31 (30) jump= 0.999227 0.0284555 0.00544933 -0.0265738 -8.97817 -12.7486 6.88476 # jumping subtree containing T0136:G 74 (73) jump= 0.988583 -0.0405114 -0.0608137 -0.13177 -16.4172 -12.621 1.97689 # jumping subtree containing T0136:H 68 (67) jump= -0.0693612 -0.378892 -0.563901 0.73051 12.3012 -59.8336 -39.4765 # jumping subtree containing T0136:H 68 (67) jump= -0.434727 0.35351 -0.665972 -0.492468 -27.7796 22.0567 -37.1851 # generation 71: best score out of 40: T0136.try1 60.3427 cost/residue, 131 clashes 0.0714428 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 318 ## TwoFragment 10 ## CrossOver 39 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 31 ## OptSubtree 1291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:I 26 (25) jump= 0.986791 0.0725607 0.0422026 -0.138551 -1.7778 8.50729 -11.3505 # jumping subtree containing T0136:N 4 (3) jump= -0.118236 0.130599 0.585933 -0.790978 -70.9362 -71.6237 -78.5528 # jumping subtree containing T0136:H 68 (67) jump= 0.699364 -0.621457 -0.0423148 0.350559 -42.387 20.9457 -70.0462 # jumping subtree containing T0136:Q 44 (43) jump= 0.161273 0.979069 0.00693027 0.123967 16.5071 -31.2385 -132.865 # jumping subtree containing T0136:G 74 (73) jump= 0.126702 -0.638714 -0.630885 0.42187 -59.5208 -48.79 -126.471 # jumping subtree containing T0136:G 74 (73) jump= 0.999314 0.0322077 0.00694198 -0.016932 -2.91353 9.88214 -2.49224 # jumping subtree containing T0136:N 4 (3) jump= 0.0649847 -0.530929 -0.764073 -0.360671 -21.9742 52.7918 -104.911 # jumping subtree containing T0136:F 65 (64) jump= 0.967504 -0.00457815 0.226492 -0.112326 22.9676 17.7794 -22.1448 # jumping subtree containing T0136:G 42 (41) jump= -0.657901 -0.11823 0.214269 0.712233 -39.2092 -3.58776 -7.43471 # jumping subtree containing T0136:G 74 (73) jump= -0.116892 0.854924 0.268142 0.428417 40.0441 4.93059 -122.959 # jumping subtree containing T0136:G 31 (30) jump= -0.891379 -0.0992844 0.388984 0.210424 -23.9765 -10.8644 -37.3825 # jumping subtree containing T0136:G 74 (73) jump= -0.99812 -0.000795639 -0.0599772 -0.0125643 0.790253 14.5398 6.97656 # jumping subtree containing T0136:E 27 (26) jump= -0.941286 -0.1905 -0.187686 0.206069 34.236 -47.7207 -14.1332 # jumping subtree containing T0136:I 26 (25) jump= 0.991236 -0.0182593 -0.0524174 0.119876 1.67193 33.4998 5.94656 # jumping subtree containing T0136:G 74 (73) jump= -0.932914 0.0940095 0.347596 -0.00328599 -51.8374 7.44982 -36.0934 # generation 72: best score out of 40: T0136.try1 60.3427 cost/residue, 131 clashes 0.0714428 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 318 ## TwoFragment 10 ## CrossOver 39 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 32 ## OptSubtree 1314 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= 0.941893 0.0387335 0.183284 0.278828 22.7272 15.2353 -14.0253 # jumping subtree containing T0136:F 65 (64) jump= -0.809387 0.372923 0.365231 -0.269125 -84.312 20.5541 -45.1348 # jumping subtree containing T0136:N 4 (3) jump= -0.871953 0.151398 -0.433128 0.170809 76.2916 -6.60483 -55.4887 # jumping subtree containing T0136:E 27 (26) jump= 0.845704 0.202671 -0.492422 -0.0350714 -49.6607 -27.1386 -35.3117 # jumping subtree containing T0136:G 29 (28) jump= -0.429607 -0.587258 -0.651299 0.21535 30.9262 -46.3471 -106.177 # jumping subtree containing T0136:K 43 (42) jump= 0.0576308 -0.921172 0.0549372 -0.380924 12.3859 -12.9808 -88.6647 # jumping subtree containing T0136:M 75 (74) jump= -0.851055 -0.111949 -0.374144 -0.350983 37.2857 -3.11537 -3.99924 # jumping subtree containing T0136:F 65 (64) jump= -0.984053 -0.127277 0.123271 -0.0156168 -12.6526 3.13354 12.0201 # jumping subtree containing T0136:G 74 (73) jump= -0.246479 0.493857 0.625371 0.551602 -8.01229 50.8546 -60.5787 # Removing break moved up 3 to before 21 # generation 73: best score out of 40: T0136.try1 60.3426 cost/residue, 131 clashes 0.0714426 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 318 ## TwoFragment 10 ## CrossOver 39 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 32 ## OptSubtree 1349 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.661758 0.412668 -0.598054 0.184699 59.2503 28.206 -86.2488 # jumping subtree containing T0136:G 74 (73) jump= -0.951839 0.201083 -0.190775 -0.131045 37.22 43.4642 6.26389 # jumping subtree containing T0136:F 65 (64) jump= -0.94878 0.0852449 -0.184521 0.24187 9.98469 -15.3744 -15.2332 # jumping subtree containing T0136:G 74 (73) jump= 0.933866 -0.221053 -0.221192 -0.173504 5.26412 20.8236 -10.0791 # jumping subtree containing T0136:E 27 (26) jump= -0.984157 -0.161553 -0.0465468 0.0562951 20.4757 -40.1621 7.20543 # jumping subtree containing T0136:E 27 (26) jump= 0.944696 0.28731 -0.157809 -0.00991068 -35.197 -33.2003 12.6042 # jumping subtree containing T0136:E 27 (26) jump= 0.843886 0.374258 -0.167012 0.346258 3.36269 -57.1067 9.60394 # jumping subtree containing T0136:F 65 (64) jump= -0.104587 -0.0206335 -0.780821 -0.615592 -5.58594 25.0538 -67.9017 # jumping subtree containing T0136:F 65 (64) jump= -0.97067 0.224921 0.0411466 -0.0742784 7.94568 22.3332 -13.9825 # jumping subtree containing T0136:E 27 (26) jump= 0.587287 -0.482325 -0.561531 -0.32732 -36.9631 72.7149 -58.0832 # jumping subtree containing T0136:G 74 (73) jump= 0.699621 -0.67895 -0.174145 -0.138675 22.431 60.6469 -120.169 # jumping subtree containing T0136:G 74 (73) jump= 0.566049 -0.303881 0.0715771 0.762969 -76.1298 41.6293 -10.028 # generation 74: best score out of 40: T0136.try1 60.3426 cost/residue, 131 clashes 0.0714426 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 318 ## TwoFragment 10 ## CrossOver 40 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 33 ## OptSubtree 1371 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= 0.615212 -0.685485 0.367684 0.128189 18.1903 89.1566 -113.191 # jumping subtree containing T0136:G 74 (73) jump= -0.683103 0.0511892 0.633516 0.359733 -94.0604 32.5042 -5.68386 # jumping subtree containing T0136:E 27 (26) jump= -0.406921 0.469682 0.24525 -0.744088 -68.1984 -15.7986 -70.9069 # jumping subtree containing T0136:E 27 (26) jump= -0.983936 -0.154709 -0.0804158 -0.0383161 2.1635 1.10372 5.46669 # jumping subtree containing T0136:E 27 (26) jump= 0.475645 -0.413856 0.477105 -0.612255 66.3926 -26.1786 -69.6554 # jumping subtree containing T0136:E 27 (26) jump= 0.177008 0.64197 0.21362 0.714779 56.5768 -15.9675 -32.2043 # jumping subtree containing T0136:A 1 (0) jump= -0.551958 0.470185 0.526754 0.44362 52.6905 22.7766 -68.5568 # jumping subtree containing T0136:Q 44 (43) jump= 0.451613 -0.754331 0.152165 -0.451526 63.6842 11.0064 -84.9123 # jumping subtree containing T0136:G 74 (73) jump= 0.848051 0.0848776 -0.108496 -0.511698 -3.31336 -53.2941 21.76 # jumping subtree containing T0136:N 52 (51) jump= 0.684922 0.305928 0.458919 -0.476113 3.33587 -85.7541 -47.6662 # jumping subtree containing T0136:G 74 (73) jump= 0.918587 -0.274875 -0.264076 0.104432 -38.5776 47.5646 -14.4506 # generation 75: best score out of 40: T0136.try1 60.1563 cost/residue, 131 clashes 0.0614814 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 319 ## TwoFragment 10 ## CrossOver 40 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 34 ## OptSubtree 1393 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.653832 0.105294 -0.229146 0.713379 -49.286 -26.5393 -10.8663 # jumping subtree containing T0136:E 27 (26) jump= -0.0433411 0.194496 0.643048 -0.739447 -39.8616 -72.0721 -68.411 # jumping subtree containing T0136:E 27 (26) jump= 0.636936 -0.595942 0.488062 0.0310021 59.7989 65.4294 -92.8609 # jumping subtree containing T0136:G 42 (41) jump= -0.869911 -0.486551 -0.0802089 0.00945971 -1.72193 -48.1807 -51.417 # jumping subtree containing T0136:G 74 (73) jump= -0.0910864 0.553973 0.567531 -0.602267 -48.6547 -70.3136 -90.3254 # jumping subtree containing T0136:G 42 (41) jump= 0.892962 -0.190818 -0.402209 -0.0665989 -37.9025 30.2836 1.66195 # jumping subtree containing T0136:H 68 (67) jump= -0.452238 0.851738 0.0296339 0.262954 53.3706 26.7474 -119.087 # jumping subtree containing T0136:L 19 (18) jump= 0.286785 -0.856192 0.126635 0.410675 -44.56 28.0983 -112.909 # generation 76: best score out of 40: T0136.try1 60.1563 cost/residue, 131 clashes 0.0614814 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 319 ## TwoFragment 10 ## CrossOver 40 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 35 ## OptSubtree 1416 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= -0.926435 0.191328 0.320396 0.0495756 -51.8805 23.2457 9.40108 # jumping subtree containing T0136:N 52 (51) jump= 0.684414 0.581841 -0.316795 -0.304433 -59.1745 -65.0519 -61.3424 # jumping subtree containing T0136:E 27 (26) jump= -0.874449 0.149862 -0.229307 -0.400374 40.7757 35.4044 -12.3826 # jumping subtree containing T0136:E 27 (26) jump= -0.859623 -0.0232289 -0.400231 0.31674 45.907 -14.2872 -34.8958 # jumping subtree containing T0136:G 74 (73) jump= -0.987606 0.133152 -0.0510174 -0.0655862 9.98715 33.9591 11.6267 # jumping subtree containing T0136:I 26 (25) jump= 0.99978 0.00442166 0.010315 0.0177049 -23.997 13.0531 0.955632 # jumping subtree containing T0136:F 65 (64) jump= -0.772399 -0.0571644 -0.218817 0.593507 29.5663 -34.3009 0.96036 # jumping subtree containing T0136:L 19 (18) jump= 0.999985 0.000943521 -0.00442058 0.00313317 7.51472 -10.3624 -1.86668 # jumping subtree containing T0136:G 29 (28) jump= 0.111548 0.174859 0.534759 0.819155 3.33269 35.851 -42.3042 # jumping subtree containing T0136:E 27 (26) jump= -0.0555496 -0.555456 -0.768959 -0.311585 10.8938 49.786 -117.253 # generation 77: best score out of 40: T0136.try1 60.1563 cost/residue, 131 clashes 0.0614814 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 319 ## TwoFragment 10 ## CrossOver 40 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 36 ## OptSubtree 1448 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= -0.00553922 0.587331 -0.272177 -0.762189 -97.4035 -1.98091 -69.7941 # jumping subtree containing T0136:N 52 (51) jump= -0.906737 0.275718 0.167952 -0.271292 -27.5385 24.5053 3.20314 # jumping subtree containing T0136:L 19 (18) jump= 0.53149 0.0916199 0.80129 0.258957 82.1383 22.355 -101.508 # jumping subtree containing T0136:N 4 (3) jump= -0.875171 -0.173475 0.271864 0.360655 -64.5207 -14.1086 10.5177 # jumping subtree containing T0136:G 29 (28) jump= -0.943912 -0.285558 0.158823 0.0475561 -0.319101 -12.2248 -4.50155 # jumping subtree containing T0136:H 68 (67) jump= 0.829754 0.058507 0.553877 -0.0361293 51.6628 -22.6276 -62.7321 # jumping subtree containing T0136:E 27 (26) jump= 0.986477 0.161366 -0.0274917 0.00829825 19.5159 -18.2438 1.43494 # jumping subtree containing T0136:G 29 (28) jump= 0.980383 -0.152361 -0.117257 0.043429 5.61091 28.8939 -14.4227 # jumping subtree containing T0136:G 29 (28) jump= 0.876675 -0.215244 0.288914 0.318811 26.8088 28.8153 -46.0614 # jumping subtree containing T0136:G 74 (73) jump= 0.668411 -0.163976 -0.53529 -0.489698 -45.9641 39.8378 -50.0457 # jumping subtree containing T0136:G 74 (73) jump= 0.17145 -0.506853 -0.172941 -0.82692 21.3072 -37.4724 -20.7667 # jumping subtree containing T0136:E 27 (26) jump= -0.9999 0.00864258 0.00589552 -0.00954497 8.8153 23.7651 16.2665 # jumping subtree containing T0136:Q 44 (43) jump= -0.759566 0.490063 -0.422128 0.068601 34.7366 15.3968 -55.3558 # jumping subtree containing T0136:F 65 (64) jump= -0.969404 0.0835207 0.230352 -0.0147617 -49.3582 7.40095 -29.7521 # generation 78: best score out of 40: T0136.try1 60.1556 cost/residue, 131 clashes 0.0614815 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 40 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 37 ## OptSubtree 1470 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.205075 -0.185372 -0.314482 0.90812 -94.2159 -73.2428 -39.9805 # jumping subtree containing T0136:E 32 (31) jump= 0.201956 0.0143674 0.979066 0.0209043 28.0067 9.543 -166.018 # jumping subtree containing T0136:G 29 (28) jump= 0.892577 0.271835 -0.0623492 -0.354294 0.790096 -14.3207 -10.1426 # jumping subtree containing T0136:G 74 (73) jump= -0.707177 0.629403 -0.239724 0.215139 18.8198 -10.1662 -109.113 # jumping subtree containing T0136:G 74 (73) jump= -0.224679 -0.111596 -0.663973 -0.704419 -23.257 68.6952 -48.0309 # jumping subtree containing T0136:G 42 (41) jump= 0.939841 0.183908 0.282567 -0.0550645 40.2587 -32.1817 -17.9828 # jumping subtree containing T0136:K 43 (42) jump= -0.88787 -0.0812949 0.432928 0.13286 -47.6864 -21.1831 0.425503 # jumping subtree containing T0136:A 28 (27) jump= 0.412012 0.549828 -0.166979 0.707145 49.8621 -40.8836 -17.6483 # jumping subtree containing T0136:F 65 (64) jump= -0.429612 0.899058 0.0685453 0.0492948 28.9216 24.7895 -131.29 # jumping subtree containing T0136:G 74 (73) jump= -0.613234 -0.326294 -0.332902 0.637693 20.5535 -109.697 -53.3822 # jumping subtree containing T0136:F 65 (64) jump= -0.0961747 0.145149 0.834373 0.522976 -25.3817 41.2065 -83.109 # jumping subtree containing T0136:F 65 (64) jump= -0.998631 0.0106978 0.0248613 0.0447561 -7.01749 -2.23702 -23.9408 # jumping subtree containing T0136:G 29 (28) jump= 0.177524 0.463918 -0.459963 -0.736002 -102.744 -6.69832 -42.401 # jumping subtree containing T0136:G 74 (73) jump= -0.971795 0.127314 -0.190773 -0.0548716 32.8895 16.5381 3.41542 # jumping subtree containing T0136:G 29 (28) jump= -0.992247 0.110389 0.00542636 0.0568465 -7.16986 16.1325 21.0984 # generation 79: best score out of 40: T0136.try1 60.1556 cost/residue, 131 clashes 0.0614809 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 41 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 37 ## OptSubtree 1494 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.305517 0.0320831 -0.702639 -0.641817 -38.9229 22.0282 -47.8407 # jumping subtree containing T0136:G 74 (73) jump= -0.608209 0.600817 0.102475 -0.508527 -66.71 35.605 -104.414 # jumping subtree containing T0136:F 73 (72) jump= 0.410923 0.508752 -0.235633 -0.718882 -97.733 -80.8644 -47.019 # jumping subtree containing T0136:H 68 (67) jump= -0.960901 0.107002 0.0991069 -0.235366 -33.0147 -1.51359 6.27722 # jumping subtree containing T0136:G 74 (73) jump= 0.827062 -0.466667 -0.206814 0.23541 -38.4694 38.7432 -35.572 # jumping subtree containing T0136:L 19 (18) jump= 0.760035 -0.249263 -0.28276 0.529398 -70.4039 46.9812 -27.3218 # jumping subtree containing T0136:E 27 (26) jump= -0.604248 -0.0329678 -0.79509 -0.0403686 100.928 11.342 -78.6827 # jumping subtree containing T0136:F 65 (64) jump= 0.987289 0.142269 0.0534711 -0.046479 16.0945 -16.3062 2.9697 # jumping subtree containing T0136:E 27 (26) jump= 0.689788 -0.436541 0.194239 -0.543964 19.3242 15.8421 -34.299 # jumping subtree containing T0136:H 68 (67) jump= -0.58069 -0.649871 0.236033 -0.429832 5.10086 -56.876 -17.8058 # jumping subtree containing T0136:G 74 (73) jump= -0.399783 -0.308446 -0.297266 -0.81035 20.6589 -2.08275 10.2578 # jumping subtree containing T0136:N 52 (51) jump= 0.0402702 -0.0387241 -0.095954 0.993817 -23.6927 -25.3225 -22.2513 # jumping subtree containing T0136:G 42 (41) jump= 0.838434 -0.508366 -0.0871832 0.176045 -8.76157 72.3911 -53.7294 # jumping subtree containing T0136:H 68 (67) jump= 0.256588 0.847881 -0.0935218 -0.454439 -73.684 -86.5453 -122.565 # generation 80: best score out of 40: T0136.try1 60.1556 cost/residue, 131 clashes 0.0614809 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 42 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 37 ## OptSubtree 1525 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= 0.72339 -0.665934 -0.150109 0.103472 -37.7638 87.2244 -74.8867 # jumping subtree containing T0136:G 31 (30) jump= -0.603096 -0.682729 0.334301 0.24166 -74.875 -73.7257 -75.2108 # jumping subtree containing T0136:G 74 (73) jump= 0.731431 -0.195178 0.1935 0.624077 -34.6827 36.0764 -38.6389 # jumping subtree containing T0136:Q 44 (43) jump= -0.30352 0.420853 -0.853423 -0.0492776 16.5265 3.94032 -137.799 # jumping subtree containing T0136:F 65 (64) jump= -0.360642 -0.0388417 -0.00336754 -0.931889 5.22727 -63.2575 -12.8162 # jumping subtree containing T0136:G 74 (73) jump= 0.947956 -0.165037 0.107294 0.250262 -10.6074 24.5733 -27.0146 # jumping subtree containing T0136:E 27 (26) jump= 0.210015 -0.401111 -0.878191 0.154223 -22.3222 11.2035 -123.527 # jumping subtree containing T0136:E 27 (26) jump= 0.973341 -0.172931 -0.0419154 0.144725 -33.4683 0.227137 -18.5741 # jumping subtree containing T0136:G 74 (73) jump= -0.543555 0.598144 0.588645 0.016423 -31.7306 63.7486 -88.1384 # jumping subtree containing T0136:F 65 (64) jump= 0.885642 0.153349 -0.365091 0.242548 -78.3941 -29.8626 1.62186 # jumping subtree containing T0136:G 74 (73) jump= 0.997231 0.0576506 -0.0226088 -0.0411722 -0.960229 -21.1571 29.6485 # generation 81: best score out of 40: T0136.try1 60.1556 cost/residue, 131 clashes 0.0614809 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 44 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 38 ## OptSubtree 1546 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= -0.894734 -0.245173 -0.277987 -0.249127 58.385 -49.8584 -31.3486 # jumping subtree containing T0136:F 65 (64) jump= -0.983318 -0.0157342 0.110833 0.143366 -26.3078 -23.6548 -2.89646 # jumping subtree containing T0136:E 27 (26) jump= 0.767482 -0.345137 0.310541 -0.44206 55.5476 5.23914 -42.7726 # jumping subtree containing T0136:E 27 (26) jump= 0.839628 -0.379199 0.256446 0.292349 20.0048 77.4523 -36.7087 # jumping subtree containing T0136:E 27 (26) jump= 0.898829 -0.308051 -0.0836974 -0.300344 4.53933 23.742 1.21715 # jumping subtree containing T0136:I 26 (25) jump= 0.56549 -0.747556 -0.019035 0.347878 -20.1768 62.0048 -98.0596 # jumping subtree containing T0136:F 65 (64) jump= 0.901929 -0.068292 0.422639 -0.0568919 69.1192 15.1467 -21.3272 # jumping subtree containing T0136:L 19 (18) jump= 0.452678 -0.168196 -0.793376 -0.370603 -64.6467 48.1729 -48.4229 # Removing break moved up 3 to before 21 # jumping subtree containing T0136:G 74 (73) jump= -0.680144 0.732851 -0.0175156 -0.0051791 24.2229 57.2884 -84.9419 # jumping subtree containing T0136:Q 44 (43) jump= 0.174296 0.857491 0.378775 -0.301429 -21.7878 -100.355 -180.687 # jumping subtree containing T0136:N 4 (3) jump= -0.806359 0.407601 -0.312181 0.293579 62.6768 18.3731 -33.6014 # jumping subtree containing T0136:G 74 (73) jump= -0.936163 -0.26726 -0.215702 0.0751268 54.2086 -34.9115 4.08451 # generation 82: best score out of 40: T0136.try1 60.1556 cost/residue, 131 clashes 0.0614809 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 44 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 38 ## OptSubtree 1570 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.844866 0.0314597 -0.461397 -0.268932 41.1119 4.39162 -38.9729 # jumping subtree containing T0136:N 52 (51) jump= 0.802843 0.575718 -0.0608902 0.142423 -25.0181 -88.2338 -36.992 # jumping subtree containing T0136:F 65 (64) jump= -0.908076 0.0284549 -0.398081 0.126966 50.0765 -0.193244 -16.6828 # jumping subtree containing T0136:G 74 (73) jump= 0.986715 -0.133307 -0.084322 -0.0388885 -11.0674 11.79 16.4443 # jumping subtree containing T0136:G 74 (73) jump= 0.681263 -0.221938 0.360353 0.597302 5.61302 43.1378 -29.6623 # jumping subtree containing T0136:E 27 (26) jump= -0.913791 0.23127 0.0205938 -0.33328 -35.0881 26.6924 0.67482 # jumping subtree containing T0136:F 65 (64) jump= 0.566506 -0.463081 0.679168 -0.0579458 39.9494 36.6709 -104.576 # jumping subtree containing T0136:N 52 (51) jump= -0.981192 -0.115971 0.1482 -0.0430092 -14.1738 -14.8753 -0.130905 # jumping subtree containing T0136:E 27 (26) jump= 0.954059 0.0923681 0.0679948 0.276798 10.4049 21.331 6.92283 # jumping subtree containing T0136:G 74 (73) jump= -0.591081 0.7136 -0.353105 -0.129286 -6.24202 19.156 -110.641 # generation 83: best score out of 40: T0136.try1 60.1556 cost/residue, 131 clashes 0.0614809 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 320 ## TwoFragment 10 ## CrossOver 46 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 39 ## OptSubtree 1591 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 73 (72) jump= 0.996555 0.00105313 0.0446789 -0.0698655 -4.87206 0.345737 0.98946 # jumping subtree containing T0136:F 65 (64) jump= 0.275609 -0.0544616 0.358529 0.890242 -7.35741 11.6609 7.87701 # jumping subtree containing T0136:E 27 (26) jump= 0.626534 -0.6552 -0.349094 0.237279 -75.3505 16.9277 -123.007 # jumping subtree containing T0136:A 1 (0) jump= -0.551798 0.286241 -0.142455 0.770255 72.4592 -21.0375 -16.3919 # jumping subtree containing T0136:G 74 (73) jump= -0.422107 0.733283 0.321873 0.424875 58.4215 35.2779 -124.041 # jumping subtree containing T0136:E 27 (26) jump= -0.407624 -0.648572 0.249031 -0.592605 52.6585 -139.983 -92.4826 # jumping subtree containing T0136:L 19 (18) jump= 0.11411 -0.0263685 -0.885247 0.450135 0.835817 -79.7464 -155.604 # jumping subtree containing T0136:E 27 (26) jump= -0.0249024 0.00808977 -0.957033 0.288796 41.3408 -24.1937 -175.681 # jumping subtree containing T0136:I 26 (25) jump= -0.990768 0.0108706 -0.12521 0.0508247 35.4308 -16.292 22.0304 # jumping subtree containing T0136:E 27 (26) jump= -0.921459 -0.158155 0.336027 0.113958 -30.935 -11.7148 -38.2382 # jumping subtree containing T0136:G 74 (73) jump= 0.656713 -0.0540177 0.745803 0.0979139 54.5339 30.7314 -65.428 # generation 84: best score out of 40: T0136.try1 60.0944 cost/residue, 131 clashes 0.0614818 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 321 ## TwoFragment 10 ## CrossOver 47 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 41 ## OptSubtree 1611 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= 0.677165 0.0162783 -0.593086 0.435237 -81.4901 -47.0205 -77.0326 # jumping subtree containing T0136:F 65 (64) jump= -0.683987 -0.479947 0.425819 0.347117 -89.625 -60.2857 -31.5588 # jumping subtree containing T0136:G 74 (73) jump= -0.972069 0.130801 -0.159319 -0.11221 11.6457 26.2998 -24.2282 # jumping subtree containing T0136:N 52 (51) jump= 0.78853 0.361663 -0.325108 0.376463 -56.6362 -101.723 -21.6304 # jumping subtree containing T0136:G 74 (73) jump= 0.792442 0.204669 -0.432829 0.377895 -55.5945 -69.2899 -47.4454 # jumping subtree containing T0136:V 79 (78) jump= 0.818431 -0.499577 0.27687 0.0627479 35.1957 70.5793 -57.545 # jumping subtree containing T0136:I 26 (25) jump= -0.864093 0.313284 -0.294905 0.261204 95.3283 52.6169 -45.1164 # jumping subtree containing T0136:G 74 (73) jump= -0.183192 0.716711 -0.53351 0.410041 53.1652 -44.9498 -142.999 # generation 85: best score out of 40: T0136.try1 59.8651 cost/residue, 131 clashes 0.0658573 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 48 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 41 ## OptSubtree 1633 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= 0.894949 0.323799 -0.306613 -0.0144126 -34.3305 -51.6867 -36.4968 # jumping subtree containing T0136:G 74 (73) jump= 0.75425 0.446178 -0.153044 0.456739 1.71556 -53.5569 -40.6564 # jumping subtree containing T0136:E 27 (26) jump= 0.0535219 -0.448687 -0.812373 0.368601 8.72569 -95.861 -143.584 # jumping subtree containing T0136:E 27 (26) jump= 0.766528 0.143523 -0.594024 0.197412 -60.8372 -54.4335 -69.1012 # jumping subtree containing T0136:G 74 (73) jump= 0.978375 0.205351 0.0242675 0.00482382 4.86164 1.97251 -13.8508 # jumping subtree containing T0136:G 74 (73) jump= 0.563163 0.770198 0.277709 0.111896 20.8107 -14.6217 -110.767 # jumping subtree containing T0136:G 74 (73) jump= 0.0987744 0.046017 -0.654571 0.748106 -23.6437 -30.1112 -20.8552 # jumping subtree containing T0136:E 27 (26) jump= -0.0874717 0.278241 0.147494 -0.94508 -70.9161 46.1941 -41.3878 # jumping subtree containing T0136:H 68 (67) jump= -0.316566 -0.290597 0.375175 0.82133 -30.8229 27.8678 -5.67902 # jumping subtree containing T0136:Q 44 (43) jump= 0.598636 0.159156 -0.769131 -0.157296 -91.5914 18.7866 -131.557 # Removing break moved up 3 to before 21 # generation 86: best score out of 40: T0136.try1 59.8651 cost/residue, 131 clashes 0.0658573 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 48 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 41 ## OptSubtree 1667 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= 0.420524 0.140264 -0.588271 0.67633 17.0845 -117.494 -93.9823 # Removing break moved up 3 to before 21 # jumping subtree containing T0136:E 27 (26) jump= 0.0587224 0.121397 0.983049 0.124212 33.8898 0.0962973 -178.257 # jumping subtree containing T0136:L 19 (18) jump= -0.403907 -0.244509 0.576335 0.667017 -68.0838 17.2546 -44.0923 # jumping subtree containing T0136:E 27 (26) jump= -0.595853 0.0292318 -0.736295 0.319334 117.245 -20.5169 -119.739 # jumping subtree containing T0136:F 73 (72) jump= -0.832662 -0.232073 -0.0529247 0.500015 5.41737 -13.2036 -0.0329099 # jumping subtree containing T0136:V 35 (34) jump= 0.86113 -0.39035 0.0537796 0.321231 -32.238 58.7364 -19.878 # jumping subtree containing T0136:G 42 (41) jump= 0.889665 -0.15869 -0.424212 -0.0579422 -56.189 42.1677 -60.0932 # jumping subtree containing T0136:E 27 (26) jump= -0.853676 0.318001 0.261795 0.318711 33.0491 40.563 -43.8142 # jumping subtree containing T0136:E 32 (31) jump= 0.993699 0.0808434 -0.0512086 -0.0583431 -3.53719 -19.8556 -24.5353 # jumping subtree containing T0136:G 74 (73) jump= 0.646366 0.367662 0.639253 -0.195937 110.524 -97.0597 -59.2589 # generation 87: best score out of 40: T0136.try1 59.865 cost/residue, 131 clashes 0.0658575 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 48 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 42 ## OptSubtree 1700 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.63386 -0.337934 -0.142448 -0.680978 83.5931 49.2093 -72.2296 # jumping subtree containing T0136:E 27 (26) jump= -0.971698 -0.040257 -0.22405 0.0631199 26.818 -15.1448 -5.91249 # jumping subtree containing T0136:H 57 (56) jump= 0.331269 -0.91847 -0.179745 -0.119861 14.158 14.1203 -139.884 # jumping subtree containing T0136:G 74 (73) jump= 0.744247 0.467791 0.4614 -0.11991 53.1354 -89.5182 -74.5049 # Removing break moved up 3 to before 21 # jumping subtree containing T0136:G 42 (41) jump= -0.262341 0.390588 -0.869342 -0.151204 30.6534 45.5086 -131.944 # jumping subtree containing T0136:E 27 (26) jump= -0.00606748 0.209266 0.591606 -0.778571 -0.280815 -109.594 -84.0462 # jumping subtree containing T0136:E 27 (26) jump= 0.77588 0.489404 -0.0723116 -0.39149 -21.6966 -50.5343 -39.4753 # jumping subtree containing T0136:E 27 (26) jump= -0.479787 -0.08338 -0.150957 -0.86027 1.72714 -51.8724 27.9803 # jumping subtree containing T0136:H 68 (67) jump= 1 0.000416284 -0.000573885 -9.40775e-07 -13.5801 -4.57746 3.7235 # jumping subtree containing T0136:E 27 (26) jump= 0.721184 -0.646661 0.186915 -0.163664 53.4812 47.1003 -122.122 # jumping subtree containing T0136:G 74 (73) jump= -0.994319 0.0790875 0.0548706 0.0454228 -21.7052 -11.4762 -10.9122 # jumping subtree containing T0136:E 27 (26) jump= 0.994091 -0.0218071 -0.0877454 -0.0600751 -34.2575 9.58755 13.8626 # jumping subtree containing T0136:K 67 (66) jump= -0.999143 -0.0139096 -0.0112153 -0.0373243 -8.1423 15.5145 11.2467 # jumping subtree containing T0136:E 32 (31) jump= -0.981447 0.148125 0.0904588 0.0814691 -18.9588 33.3986 4.54724 # generation 88: best score out of 40: T0136.try1 59.865 cost/residue, 131 clashes 0.0658575 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 48 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 44 ## OptSubtree 1722 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.418785 -0.19997 -0.230701 0.855224 18.3763 -76.3687 -2.25586 # jumping subtree containing T0136:E 27 (26) jump= -0.318431 0.892872 -0.100629 0.302084 81.941 13.5353 -178.345 # jumping subtree containing T0136:E 27 (26) jump= 0.716436 -0.145464 0.0725758 0.678449 12.1377 -16.5016 -3.16978 # jumping subtree containing T0136:E 27 (26) jump= -0.846637 0.0240213 0.518402 -0.117852 -60.8459 0.374899 -46.1999 # jumping subtree containing T0136:N 4 (3) jump= 0.919447 0.124767 0.136997 -0.346817 52.281 -9.64227 -4.87942 # jumping subtree containing T0136:G 42 (41) jump= 0.525458 0.234757 -0.184056 0.79681 38.0882 -134.776 -48.1448 # jumping subtree containing T0136:E 27 (26) jump= 0.906622 0.220964 0.301492 0.195738 67.3428 -24.1041 16.3116 # jumping subtree containing T0136:E 27 (26) jump= -0.528748 -0.459404 0.67405 0.234583 -112.848 -23.0336 -80.3828 # generation 89: best score out of 40: T0136.try1 59.865 cost/residue, 131 clashes 0.0658575 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 48 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 44 ## OptSubtree 1746 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.401285 -0.778622 -0.395149 -0.276724 100.605 -118.902 -106.549 # jumping subtree containing T0136:F 65 (64) jump= 0.216665 0.648109 0.66978 -0.290528 38.6572 -90.8021 -142.785 # jumping subtree containing T0136:N 4 (3) jump= 0.979508 -0.078609 0.182865 -0.0307398 58.3274 20.3396 -24.6764 # jumping subtree containing T0136:E 27 (26) jump= -0.958791 0.275794 0.0678305 -0.00748224 -5.58288 70.4017 -23.9163 # jumping subtree containing T0136:G 74 (73) jump= 0.925541 0.0321908 0.115228 -0.35925 68.1895 -17.5206 -8.19149 # jumping subtree containing T0136:R 15 (14) jump= 0.952399 0.202004 -0.0533447 0.222004 -18.6788 -43.4196 31.9725 # jumping subtree containing T0136:H 57 (56) jump= -0.738559 -0.472838 0.469507 0.102551 -115.206 -89.8559 -52.3897 # jumping subtree containing T0136:Q 44 (43) jump= -0.305111 -0.674364 0.540749 -0.399664 -12.9951 -107.916 -154.791 # jumping subtree containing T0136:G 74 (73) jump= -0.663901 -0.09807 -0.698187 -0.249305 108.671 22.9971 -80.9631 # jumping subtree containing T0136:I 26 (25) jump= 0.984751 -0.124854 0.075646 -0.0946292 6.46441 17.1877 -16.2469 # jumping subtree containing T0136:Q 44 (43) jump= 0.16931 0.675846 0.599987 0.393169 73.4047 -6.31268 -129.046 # generation 90: best score out of 40: T0136.try1 59.8636 cost/residue, 131 clashes 0.0658573 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 51 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 44 ## OptSubtree 1767 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= -0.919487 0.243174 0.306279 -0.0400405 -39.551 41.3909 -59.3439 # jumping subtree containing T0136:E 27 (26) jump= -0.968734 -0.19309 0.0123293 0.155303 24.3413 -23.5516 9.51346 # jumping subtree containing T0136:E 27 (26) jump= 0.275677 -0.12575 -0.864689 0.400628 -56.2265 -58.9078 -197.986 # jumping subtree containing T0136:G 42 (41) jump= -0.589206 -0.268525 0.746178 -0.154755 -96.9177 -37.4199 -112.628 # jumping subtree containing T0136:E 27 (26) jump= -0.883686 0.446896 -0.0601248 0.125575 21.0319 82.3297 -77.7168 # jumping subtree containing T0136:Q 44 (43) jump= 0.971762 -0.134999 -0.149908 -0.122399 2.19546 32.3477 -12.8672 # jumping subtree containing T0136:Q 44 (43) jump= -0.643893 -0.59355 0.400671 0.269377 -75.6897 -83.4589 -67.628 # jumping subtree containing T0136:I 26 (25) jump= 0.433246 -0.165121 -0.368584 -0.805716 20.2814 17.2467 -14.3399 # jumping subtree containing T0136:G 74 (73) jump= 0.998822 -0.0254622 0.0393699 -0.0125335 22.8074 -14.886 -10.6849 # jumping subtree containing T0136:Q 44 (43) jump= -0.0319532 -0.813264 -0.580727 0.0183655 65.8505 -87.7661 -140.389 # jumping subtree containing T0136:G 42 (41) jump= -0.40321 -0.532513 -0.74229 0.0534582 116.386 -93.915 -162.338 # jumping subtree containing T0136:E 27 (26) jump= -0.534661 -0.426623 -0.638975 -0.351912 97.8645 -40.7818 -91.9771 # jumping subtree containing T0136:G 74 (73) jump= -0.991053 -0.0860047 0.0995616 -0.022474 -40.9918 -38.3184 2.75948 # jumping subtree containing T0136:A 1 (0) jump= 0.212222 -0.800428 -0.257197 -0.498123 95.134 -37.3176 -112.515 # generation 91: best score out of 40: T0136.try1 59.8636 cost/residue, 131 clashes 0.0658573 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 53 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 44 ## OptSubtree 1789 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= -0.286235 0.478084 -0.470988 -0.683869 -37.5546 47.9423 -83.1137 # jumping subtree containing T0136:Q 44 (43) jump= 0.330026 -0.475844 -0.238401 -0.779628 106.129 7.02543 -76.533 # jumping subtree containing T0136:G 74 (73) jump= -0.985857 -0.10221 0.0432582 -0.125568 -25.0284 -13.8451 15.3922 # jumping subtree containing T0136:E 27 (26) jump= 0.986366 -0.100783 -0.074383 -0.106736 -19.6771 13.7825 -10.6462 # jumping subtree containing T0136:E 27 (26) jump= -0.92982 -0.0634872 0.267215 0.244949 -24.8352 13.0297 -23.0064 # jumping subtree containing T0136:E 27 (26) jump= 0.640514 -0.250741 0.720012 0.0919386 68.6568 48.2149 -112.621 # jumping subtree containing T0136:E 27 (26) jump= 0.00456854 0.859535 0.467537 0.206367 70.5573 -106.988 -105.66 # generation 92: best score out of 40: T0136.try1 59.8636 cost/residue, 131 clashes 0.0658571 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 322 ## TwoFragment 10 ## CrossOver 53 ## CrossAndInsert 28 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 44 ## OptSubtree 1824 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.540412 0.331487 0.745946 -0.204047 -67.9393 -16.7922 -138.491 # jumping subtree containing T0136:G 74 (73) jump= -0.838909 -0.327423 -0.416122 0.125972 84.8712 -54.1484 -11.6875 # jumping subtree containing T0136:E 27 (26) jump= 0.675492 -0.314797 0.264047 0.612285 4.92631 46.0278 -22.6517 # jumping subtree containing T0136:E 21 (20) jump= -0.788607 0.446592 -0.371034 -0.202455 15.27 75.1606 -74.1087 # Removing break moved up 3 to before 21 # jumping subtree containing T0136:L 19 (18) jump= -0.943451 0.0846673 0.0959626 0.305816 0.874192 33.2462 -33.6008 # jumping subtree containing T0136:H 57 (56) jump= -0.64605 0.398333 0.65105 0.00915327 -44.4872 15.726 -115.345 # jumping subtree containing T0136:I 26 (25) jump= -0.890601 0.409876 0.112694 -0.161653 -18.5802 58.9155 -43.4257 # jumping subtree containing T0136:I 26 (25) jump= -0.810333 0.193019 -0.498407 0.240196 93.2088 15.7668 -31.6879 # jumping subtree containing T0136:G 74 (73) jump= -0.910569 0.33124 0.0562792 0.240782 -7.36983 65.4738 -15.2736 # jumping subtree containing T0136:I 26 (25) jump= 0.69873 0.10755 0.0556696 0.70506 16.9602 -69.182 20.5828 # jumping subtree containing T0136:H 57 (56) jump= 0.396358 0.286322 -0.684591 -0.540607 -114.472 -4.70832 -48.2862 # generation 93: best score out of 40: T0136.try1 59.8373 cost/residue, 130 clashes 0.0658572 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 323 ## TwoFragment 10 ## CrossOver 53 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 45 ## OptSubtree 1845 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= -0.87498 0.0429683 -0.00918643 0.482161 28.1063 5.84012 9.87459 # jumping subtree containing T0136:L 19 (18) jump= 0.950635 -0.302624 -0.0655389 0.0203934 9.36456 48.582 -24.3834 # jumping subtree containing T0136:L 19 (18) jump= 0.999755 -0.00751165 0.0206892 0.0021644 -6.99985 12.4667 -18.6614 # jumping subtree containing T0136:G 42 (41) jump= 0.998192 0.0552823 0.0160327 0.0173067 22.5834 -28.0177 -2.74827 # jumping subtree containing T0136:G 74 (73) jump= 0.782656 0.0227657 -0.6022 -0.155841 -59.7137 1.31538 -48.5617 # jumping subtree containing T0136:F 73 (72) jump= -0.423632 0.220291 -0.767027 0.428576 95.1768 -20.6379 -90.2594 # jumping subtree containing T0136:G 74 (73) jump= -0.30013 0.777835 0.524982 0.171141 13.6431 16.1693 -122.084 # jumping subtree containing T0136:G 74 (73) jump= 0.850298 -0.0776922 0.390833 0.343811 49.0311 22.776 -26.0805 # jumping subtree containing T0136:L 19 (18) jump= 0.937422 -0.226935 -0.19184 -0.181489 -13.8982 45.2194 -18.0865 # jumping subtree containing T0136:G 74 (73) jump= -0.421897 0.267083 -0.21614 0.839019 57.4244 -33.4058 -43.3534 # jumping subtree containing T0136:H 68 (67) jump= 0.911348 0.41111 0.00423911 0.0203782 0.720993 -40.0761 -16.368 # jumping subtree containing T0136:G 74 (73) jump= 0.889227 0.202565 -0.19551 0.360581 -38.731 -68.6967 -5.91035 # jumping subtree containing T0136:Q 44 (43) jump= -0.529742 0.718784 -0.0108845 0.450117 65.5779 45.7155 -124.045 # jumping subtree containing T0136:G 74 (73) jump= 0.136729 0.0304297 0.925754 0.351226 54.0813 28.085 -104.626 # generation 94: best score out of 40: T0136.try1 59.8373 cost/residue, 130 clashes 0.0658571 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 323 ## TwoFragment 10 ## CrossOver 53 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 45 ## OptSubtree 1876 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.000828217 -0.402419 -0.664607 0.629568 -33.8812 -106.235 -104.616 # jumping subtree containing T0136:G 74 (73) jump= 0.990592 0.12622 0.0104509 0.0518327 5.40848 -34.5811 23.5211 # jumping subtree containing T0136:G 74 (73) jump= 0.981217 0.0810309 -8.9564e-06 -0.175061 -15.253 0.948206 -2.76411 # jumping subtree containing T0136:N 4 (3) jump= 0.831478 -0.24916 0.453819 -0.201524 52.8075 5.70654 -58.3391 # Removing break before 56 # jumping subtree containing T0136:H 57 (56) jump= -0.987298 0.0127827 -0.102688 0.120556 41.4979 -1.59397 -3.55423 # jumping subtree containing T0136:Q 44 (43) jump= -0.961356 0.125579 -0.080467 -0.231408 -6.93904 39.4132 6.17921 # jumping subtree containing T0136:G 74 (73) jump= 0.494276 -0.0844482 -0.197972 -0.84224 24.7904 -3.81884 -16.1164 # jumping subtree containing T0136:F 73 (72) jump= -0.0305961 -0.384245 0.886376 0.25643 -28.8059 39.2735 -118.113 # jumping subtree containing T0136:G 74 (73) jump= -0.978093 -0.203195 0.0413612 0.0182971 -0.0479202 -23.1619 -24.5297 # jumping subtree containing T0136:A 1 (0) jump= -0.816881 -0.271757 -0.301413 -0.409883 32.4042 -29.3497 -9.7166 # generation 95: best score out of 40: T0136.try1 59.8373 cost/residue, 130 clashes 0.0658571 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 323 ## TwoFragment 10 ## CrossOver 54 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 46 ## OptSubtree 1905 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.259912 0.376592 0.88448 -0.0912138 100.023 -30.7073 -107.434 # jumping subtree containing T0136:G 42 (41) jump= -0.264325 -0.0473531 0.666746 0.695227 -6.04929 48.2475 -77.3158 # jumping subtree containing T0136:L 19 (18) jump= 0.819854 0.530986 -0.101964 0.188407 -18.4111 -114.18 -39.1716 # jumping subtree containing T0136:V 35 (34) jump= -0.661323 -0.612972 -0.33496 0.273349 23.4077 -117.521 -83.2922 # jumping subtree containing T0136:H 68 (67) jump= -0.769094 -0.630395 -0.104525 -0.0130646 19.0939 -68.0483 -57.8327 # jumping subtree containing T0136:L 19 (18) jump= -0.989681 -0.0250376 -0.135978 -0.0376055 35.9238 1.65911 6.59159 # jumping subtree containing T0136:G 74 (73) jump= -0.575629 -0.0337467 -0.633844 0.515514 88.1216 -68.2074 -54.717 # jumping subtree containing T0136:V 35 (34) jump= -0.990081 -0.119581 0.0640359 -0.0366084 -20.5316 -3.53898 13.9159 # jumping subtree containing T0136:G 74 (73) jump= 0.505591 0.0893537 -0.748022 0.420543 -58.9189 -69.362 -85.3594 # jumping subtree containing T0136:G 42 (41) jump= 0.983842 -0.178879 0.000960915 -0.00748955 -6.84727 47.134 -34.4655 # jumping subtree containing T0136:E 27 (26) jump= -0.879841 -0.422721 0.162345 0.144333 -50.8505 -46.3241 -10.1632 # generation 96: best score out of 40: T0136.try1 59.8373 cost/residue, 130 clashes 0.0658568 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 323 ## TwoFragment 10 ## CrossOver 54 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 46 ## OptSubtree 1929 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.97089 -0.18332 0.128746 0.0847986 20.5579 16.0044 9.18103 # jumping subtree containing T0136:V 62 (61) jump= 0.756077 -0.418246 -0.122131 -0.488366 66.3942 53.8109 -39.2133 # jumping subtree containing T0136:G 74 (73) jump= 0.932395 0.0890563 -0.347783 0.041887 -77.5215 -22.1718 -22.1211 # jumping subtree containing T0136:E 27 (26) jump= 0.626824 0.074946 -0.577332 0.517844 -47.5784 -98.9013 -106.135 # jumping subtree containing T0136:V 35 (34) jump= 0.509358 -0.211398 -0.0392039 0.833264 -25.1012 -23.7849 -6.99959 # jumping subtree containing T0136:F 73 (72) jump= -0.96732 -0.181228 0.146425 0.100045 -29.9286 -19.24 -1.49813 # generation 97: best score out of 40: T0136.try1 59.8373 cost/residue, 130 clashes 0.0658568 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 323 ## TwoFragment 10 ## CrossOver 56 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 46 ## OptSubtree 1951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 57 (56) jump= 0.35274 -0.312222 -0.164261 -0.866666 87.8299 5.64909 -58.7196 # jumping subtree containing T0136:E 27 (26) jump= 0.864396 0.357917 -0.331106 0.122817 -37.6601 -69.1427 -33.1858 # jumping subtree containing T0136:E 27 (26) jump= -0.971661 -0.143865 -0.00496272 0.187491 28.6094 -23.2741 6.91849 # jumping subtree containing T0136:F 65 (64) jump= -0.777488 -0.543143 -0.314406 0.0406969 44.1322 -71.4376 -57.6739 # jumping subtree containing T0136:R 15 (14) jump= 0.880213 -0.25204 0.0745389 0.395151 -15.2193 11.1631 -24.5659 # jumping subtree containing T0136:G 74 (73) jump= -0.0616536 0.209537 -0.928944 0.298925 26.2737 -48.7679 -162.515 # jumping subtree containing T0136:H 57 (56) jump= -0.720488 0.54274 -0.245387 -0.355127 -28.0632 70.2899 -63.7487 # jumping subtree containing T0136:V 35 (34) jump= -0.824504 -0.0830933 0.0135215 0.559559 -5.3816 -11.6765 16.8303 # jumping subtree containing T0136:Q 44 (43) jump= -0.0908505 -0.735001 -0.663388 -0.106938 65.2322 -40.4015 -191.546 # jumping subtree containing T0136:E 27 (26) jump= 0.368495 0.283964 -0.0475102 0.883922 48.5556 -38.3967 -37.2641 # jumping subtree containing T0136:G 74 (73) jump= 0.938033 -0.208442 0.276452 -0.0148359 52.1784 3.40891 -17.4086 # jumping subtree containing T0136:E 27 (26) jump= 0.632302 -0.770918 0.071054 0.0288118 2.89035 98.4788 -153.01 # jumping subtree containing T0136:E 27 (26) jump= 0.0430957 -0.109306 0.988446 -0.09576 69.3825 -5.56616 -109.86 # jumping subtree containing T0136:V 35 (34) jump= 0.762963 -0.509158 -0.225537 -0.328295 -0.0824432 58.6752 -87.9545 # Removing break moved up 3 to before 21 # generation 98: best score out of 40: T0136.try1 59.7843 cost/residue, 130 clashes 0.0658307 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 58 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 46 ## OptSubtree 1972 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= 0.649051 -0.237211 0.137167 -0.709682 91.4042 14.5258 -41.3072 # jumping subtree containing T0136:P 56 (55) jump= -0.0359284 -0.181484 0.769414 0.611371 -1.71025 79.2932 -91.9363 # jumping subtree containing T0136:G 42 (41) jump= 0.155589 0.528754 0.0542233 0.832629 78.9316 -61.2797 -62.3481 # jumping subtree containing T0136:G 74 (73) jump= -0.144036 0.792935 -0.575354 0.139554 20.895 4.35063 -137.296 # jumping subtree containing T0136:V 35 (34) jump= -0.825803 0.0615703 0.5527 0.0937063 -49.7772 6.44849 -49.2351 # jumping subtree containing T0136:G 42 (41) jump= 0.948978 -0.271359 0.103155 0.123138 -21.2087 35.1138 -26.8206 # jumping subtree containing T0136:F 73 (72) jump= -0.640539 -0.356982 -0.626532 0.264067 46.2103 -66.1846 -79.2719 # generation 99: best score out of 40: T0136.try1 59.7843 cost/residue, 130 clashes 0.0658307 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 58 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 46 ## OptSubtree 1998 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= 0.334757 -0.385156 -0.340373 0.789771 -38.9551 -52.0665 -73.1602 # jumping subtree containing T0136:V 35 (34) jump= -0.422959 0.030809 0.844496 -0.327083 -52.6688 -33.0019 -143.167 # jumping subtree containing T0136:G 74 (73) jump= -0.966187 0.141329 0.144461 -0.160121 -8.3897 -0.188871 -1.85378 # jumping subtree containing T0136:A 1 (0) jump= -0.877425 0.0530795 -0.231209 0.416953 66.3306 -19.9444 10.9693 # jumping subtree containing T0136:G 74 (73) jump= -0.805368 -0.0435212 0.465932 -0.363862 -46.8543 -44.6238 -50.9559 # jumping subtree containing T0136:G 74 (73) jump= -0.743359 -0.228555 -0.120861 0.616906 3.38351 -56.9564 -3.24969 # jumping subtree containing T0136:E 27 (26) jump= -0.825009 -0.275451 0.471763 0.144662 -87.2275 -38.3913 -48.0807 # jumping subtree containing T0136:R 15 (14) jump= -0.994283 -0.00260147 -0.0637113 0.0856444 44.4286 -3.6502 -10.9583 # jumping subtree containing T0136:G 74 (73) jump= 0.711021 -0.694182 -0.0623247 -0.0931418 26.9043 34.4734 -88.5244 # jumping subtree containing T0136:G 74 (73) jump= 0.545843 -0.0840104 -0.789073 0.269002 -63.6108 -16.0563 -121.479 # jumping subtree containing T0136:H 68 (67) jump= 0.79391 0.466226 0.153926 -0.358674 11.2112 -63.2072 -30.2168 # jumping subtree containing T0136:V 35 (34) jump= -0.938873 -0.341698 0.0384748 -0.0167381 0.807358 -43.4265 -11.2484 # jumping subtree containing T0136:V 35 (34) jump= -0.523142 -0.783596 0.137282 0.305703 -44.3444 -61.8458 -97.2292 # generation 100: best score out of 40: T0136.try1 59.7843 cost/residue, 130 clashes 0.0658307 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 82 ## InsertFragment 324 ## TwoFragment 10 ## CrossOver 58 ## CrossAndInsert 29 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 47 ## OptSubtree 2032 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_514732982.pdb -s /projects/compbio/tmp/to_scwrl_514732982.seq -o /projects/compbio/tmp/from_scwrl_514732982.pdb -a /projects/compbio/tmp/from_scwrl_514732982_a.pdb -b /projects/compbio/tmp/from_scwrl_514732982_b.pdb > /projects/compbio/tmp/scwrl_514732982.log # T0136.try1-scwrl 59.6135 cost/residue 130 clashes 0.0658307 breaks # iteration 8 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 70.8894 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 13 ## TwoFragment 0 ## CrossOver 1 ## CrossAndInsert 1 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10 70.233 cost/residue, 101 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 30 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 4 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1 68.8713 cost/residue, 88 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 47 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 6 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1 68.8713 cost/residue, 88 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 62 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 6 ## ReduceClash 2 ## 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 67.7842 cost/residue, 106 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 79 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 7 ## ReduceClash 3 ## 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 67.3882 cost/residue, 83 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 49 ## InsertFragment 94 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 9 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1 67.1 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 108 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 9 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1 67.1 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 61 ## InsertFragment 124 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 10 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1 67.1 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 140 ## TwoFragment 4 ## CrossOver 7 ## CrossAndInsert 10 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1 66.8017 cost/residue, 118 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 155 ## TwoFragment 4 ## CrossOver 9 ## CrossAndInsert 12 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1 66.8017 cost/residue, 118 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 170 ## TwoFragment 5 ## CrossOver 11 ## CrossAndInsert 13 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1 66.6336 cost/residue, 86 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 73 ## InsertFragment 186 ## TwoFragment 5 ## CrossOver 11 ## CrossAndInsert 15 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1 66.6277 cost/residue, 100 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 199 ## TwoFragment 6 ## CrossOver 13 ## CrossAndInsert 16 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1 66.2849 cost/residue, 149 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 78 ## InsertFragment 212 ## TwoFragment 6 ## CrossOver 14 ## CrossAndInsert 19 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1 66.1697 cost/residue, 134 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 80 ## InsertFragment 225 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 22 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 39 (38) jump= 0.362272 0.264536 0.831862 -0.32678 22.7275 -18.1003 -14.4944 # generation 16: best score out of 40: T0136.try1 66.1697 cost/residue, 134 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 81 ## InsertFragment 234 ## TwoFragment 6 ## CrossOver 19 ## CrossAndInsert 23 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.987278 0.023032 -0.123412 0.0975731 12.2654 -1.03997 -24.6282 # Removing break before 67 # generation 17: best score out of 40: T0136.try1 65.9649 cost/residue, 134 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 82 ## InsertFragment 244 ## TwoFragment 6 ## CrossOver 22 ## CrossAndInsert 23 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 29 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 18: best score out of 40: T0136.try1 65.7034 cost/residue, 125 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 83 ## InsertFragment 251 ## TwoFragment 6 ## CrossOver 29 ## CrossAndInsert 26 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 12 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.619072 0.259639 -0.506228 0.54136 -38.3648 -3.29848 -6.67553 # jumping subtree containing T0136:G 42 (41) jump= -0.19274 -0.877835 0.385735 -0.208487 -14.1728 -25.4173 -64.0789 # Removing break before 44 # jumping subtree containing T0136:A 1 (0) jump= 0.607607 -0.75946 -0.164408 0.164329 9.63853 -23.5474 18.5921 # jumping subtree containing T0136:A 1 (0) jump= 0.655503 0.310566 -0.641551 0.249553 11.075 -11.5953 24.4499 # generation 19: best score out of 40: T0136.try1 65.5471 cost/residue, 131 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 84 ## InsertFragment 258 ## TwoFragment 6 ## CrossOver 31 ## CrossAndInsert 27 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 17 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 20: best score out of 40: T0136.try1 65.5471 cost/residue, 131 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 85 ## InsertFragment 267 ## TwoFragment 6 ## CrossOver 34 ## CrossAndInsert 28 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 18 ## OptSubtree 47 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 21: best score out of 40: T0136.try1 65.5471 cost/residue, 131 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 86 ## InsertFragment 274 ## TwoFragment 6 ## CrossOver 37 ## CrossAndInsert 30 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 21 ## OptSubtree 55 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.992437 -0.0318441 0.0864941 -0.0810795 18.3987 3.69492 20.6537 # jumping subtree containing T0136:G 74 (73) jump= 0.666811 0.339969 -0.652559 -0.118114 1.28799 -22.1253 13.5126 # generation 22: best score out of 40: T0136.try1 65.2445 cost/residue, 75 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 86 ## InsertFragment 279 ## TwoFragment 6 ## CrossOver 41 ## CrossAndInsert 30 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 26 ## OptSubtree 65 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # generation 23: best score out of 40: T0136.try1 65.0595 cost/residue, 86 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 87 ## InsertFragment 288 ## TwoFragment 6 ## CrossOver 46 ## CrossAndInsert 31 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 29 ## OptSubtree 69 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.254074 -0.498787 -0.726808 0.398005 12.6073 -6.31494 -32.7975 # Removing break before 67 # jumping subtree containing T0136:A 1 (0) jump= -0.897472 0.0882633 -0.415548 0.118634 14.0752 -23.0386 -10.7711 # generation 24: best score out of 40: T0136.try1 65.0595 cost/residue, 86 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 88 ## InsertFragment 291 ## TwoFragment 6 ## CrossOver 51 ## CrossAndInsert 31 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 32 ## OptSubtree 81 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # generation 25: best score out of 40: T0136.try1 63.9328 cost/residue, 90 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 88 ## InsertFragment 299 ## TwoFragment 6 ## CrossOver 53 ## CrossAndInsert 31 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 36 ## OptSubtree 90 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 39 (38) jump= -0.0614266 -0.249203 -0.115911 0.959526 0.165604 -31.6439 3.42156 # generation 26: best score out of 40: T0136.try1 63.887 cost/residue, 88 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 88 ## InsertFragment 305 ## TwoFragment 6 ## CrossOver 55 ## CrossAndInsert 31 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 43 ## OptSubtree 99 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 42 # generation 27: best score out of 40: T0136.try1 63.7601 cost/residue, 105 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 313 ## TwoFragment 6 ## CrossOver 56 ## CrossAndInsert 32 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 49 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= 0.987364 0.14037 -0.00450817 0.0733986 22.6279 -13.1914 -5.95499 # generation 28: best score out of 40: T0136.try1 62.9953 cost/residue, 91 clashes 0.0195653 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 319 ## TwoFragment 6 ## CrossOver 58 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 52 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.800155 0.497191 0.236763 0.23769 16.2458 -8.03672 2.98878 # Removing break before 39 # Removing break before 32 # generation 29: best score out of 40: T0136.try1 62.6338 cost/residue, 99 clashes 0.0179137 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 326 ## TwoFragment 6 ## CrossOver 61 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 54 ## OptSubtree 133 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 35 (34) jump= 0.152013 -0.377904 -0.407147 -0.817503 41.0677 3.72277 -42.9448 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:R 33 (32) jump= -0.915732 0.308703 0.24781 0.0687612 -7.93073 28.4067 -2.13037 # generation 30: best score out of 40: T0136.try1 62.6338 cost/residue, 99 clashes 0.0179138 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 332 ## TwoFragment 7 ## CrossOver 63 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 61 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= -0.999998 -0.00104557 0.000117689 -0.00160235 9.92605 -20.2404 15.8385 # generation 31: best score out of 40: T0136.try1 62.3912 cost/residue, 86 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 64 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 64 ## OptSubtree 160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:A 1 (0) jump= -0.99875 0.0332551 0.0155037 0.0339551 -8.4515 8.16337 -20.3076 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= 0.485186 0.131888 0.84754 0.169931 22.8275 -2.21064 5.22324 # generation 32: best score out of 40: T0136.try1 62.3912 cost/residue, 86 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 336 ## TwoFragment 7 ## CrossOver 64 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 67 ## OptSubtree 181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # Removing break before 32 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= 0.605183 -0.286566 -0.0134141 0.742599 -24.5872 -0.806614 -25.0155 # jumping subtree containing T0136:N 52 (51) jump= 0.122554 0.544515 -0.777949 0.288583 -5.19486 -4.51419 -39.2728 # Removing break before 32 # generation 33: best score out of 40: T0136.try1 62.3911 cost/residue, 86 clashes 0.0176651 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 337 ## TwoFragment 7 ## CrossOver 67 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 72 ## OptSubtree 200 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:R 33 (32) jump= 0.531825 -0.610001 -0.361444 -0.463054 25.983 2.40599 -48.3689 # generation 34: best score out of 40: T0136.try1 62.3911 cost/residue, 86 clashes 0.0176651 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 337 ## TwoFragment 7 ## CrossOver 68 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 77 ## OptSubtree 218 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:A 64 (63) jump= 0.861461 0.401107 -0.299295 0.0861429 -2.10465 8.47343 0.845691 # generation 35: best score out of 40: T0136.try1 62.3603 cost/residue, 83 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 339 ## TwoFragment 7 ## CrossOver 70 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 82 ## OptSubtree 233 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.897065 0.169913 0.407752 -0.0119239 10.4897 14.9303 -15.5299 # jumping subtree containing T0136:G 74 (73) jump= -0.753796 0.348324 -0.549924 0.0896902 -6.55914 18.4606 -5.27807 # jumping subtree containing T0136:A 64 (63) jump= 0.939634 -0.0194744 0.122449 0.318927 0.57563 -5.18239 -25.8724 # jumping subtree containing T0136:S 58 (57) jump= -0.962239 0.0959176 -0.0464992 -0.250467 -7.44207 -4.22789 -12.0938 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:R 23 (22) jump= 0.708378 0.561705 -0.426644 0.0257408 -8.49107 -22.5597 -28.6531 # generation 36: best score out of 40: T0136.try1 62.3603 cost/residue, 83 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 340 ## TwoFragment 7 ## CrossOver 74 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 86 ## OptSubtree 248 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= -0.531207 -0.417379 -0.0560196 -0.73517 19.5145 -31.4295 -18.8889 # Removing break before 41 # jumping subtree containing T0136:A 64 (63) jump= -0.199828 0.084525 0.856829 0.467726 -1.38122 21.0203 8.08174 # jumping subtree containing T0136:G 42 (41) jump= -0.412626 0.25579 0.234055 -0.842335 18.5871 -17.4329 3.54521 # jumping subtree containing T0136:R 33 (32) jump= 0.77809 0.545219 0.203536 0.236402 36.4751 -22.968 -13.4847 # Removing break before 41 # jumping subtree containing T0136:R 23 (22) jump= -0.786039 0.426003 -0.372001 0.249558 4.78216 24.4109 -27.9095 # generation 37: best score out of 40: T0136.try1 62.2789 cost/residue, 76 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 343 ## TwoFragment 7 ## CrossOver 75 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 92 ## OptSubtree 266 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.603146 0.103922 -0.128919 0.780254 -8.23701 -13.4414 -15.8369 # jumping subtree containing T0136:R 23 (22) jump= 0.85328 -0.435292 -0.0142696 -0.286759 20.9406 18.15 5.10373 # jumping subtree containing T0136:R 33 (32) jump= 0.267753 -0.710272 -0.13081 -0.63774 17.6213 12.8583 -49.6983 # generation 38: best score out of 40: T0136.try1 62.2788 cost/residue, 76 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 343 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 99 ## OptSubtree 282 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.577996 -0.109252 0.773212 0.236914 12.1718 1.0864 60.3874 # jumping subtree containing T0136:A 1 (0) jump= -0.347355 0.468154 -0.707769 -0.399049 7.25453 13.4377 31.4275 # Removing break before 41 # jumping subtree containing T0136:A 64 (63) jump= 0.061892 0.875367 0.157537 -0.452862 -5.17171 30.6138 5.76221 # generation 39: best score out of 40: T0136.try1 61.6679 cost/residue, 100 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 78 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 107 ## OptSubtree 302 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.630445 0.540827 0.219339 -0.511796 8.06896 35.4226 17.2655 # jumping subtree containing T0136:A 64 (63) jump= 0.416985 -0.741895 0.070846 0.520285 7.69612 48.4402 3.44676 # jumping subtree containing T0136:A 64 (63) jump= 0.336 0.211931 0.535912 0.744975 10.666 -29.227 -2.58671 # jumping subtree containing T0136:Q 22 (21) jump= -0.318973 0.499664 0.300288 -0.747275 6.38207 13.6137 -7.92986 # Removing break before 41 # jumping subtree containing T0136:A 1 (0) jump= 0.892963 -0.152021 -0.284153 -0.314266 6.04568 5.36781 4.74943 # generation 40: best score out of 40: T0136.try1 61.6679 cost/residue, 100 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 347 ## TwoFragment 7 ## CrossOver 80 ## CrossAndInsert 32 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 111 ## OptSubtree 320 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:A 64 (63) jump= 0.482171 0.228809 0.569475 -0.625185 3.35284 -3.89618 -21.6093 # jumping subtree containing T0136:G 42 (41) jump= -0.525328 0.163948 0.825589 -0.124717 -27.2685 -9.01377 -52.2452 # jumping subtree containing T0136:R 33 (32) jump= -0.361663 0.562636 -0.227415 0.70776 25.9167 -1.56782 -19.4802 # jumping subtree containing T0136:A 1 (0) jump= -0.477321 -0.341727 -0.319704 -0.743758 36.8785 -46.6059 -19.6899 # generation 41: best score out of 40: T0136.try1 61.5502 cost/residue, 89 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 350 ## TwoFragment 7 ## CrossOver 81 ## CrossAndInsert 33 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 115 ## OptSubtree 342 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.116213 -0.541563 0.696577 0.456054 -17.3626 15.1286 -23.8176 # jumping subtree containing T0136:R 33 (32) jump= 0.729753 0.0679623 -0.56298 0.381962 -8.97875 -46.1919 -81.3807 # Removing break before 41 # jumping subtree containing T0136:V 62 (61) jump= 0.48642 -0.168053 -0.846104 0.138787 32.0377 -35.8923 -63.6464 # jumping subtree containing T0136:G 42 (41) jump= 0.834809 0.46076 0.281747 -0.106829 3.5241 -67.2763 -21.1676 # jumping subtree containing T0136:A 1 (0) jump= 0.742572 0.338685 -0.259712 -0.516168 35.6415 23.0062 -8.26514 # jumping subtree containing T0136:G 42 (41) jump= -0.863991 -0.226267 -0.44785 -0.0418619 28.3938 -32.2981 -30.8584 # Removing break before 41 # generation 42: best score out of 40: T0136.try1 61.5126 cost/residue, 89 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 352 ## TwoFragment 7 ## CrossOver 84 ## CrossAndInsert 33 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 117 ## OptSubtree 359 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.467856 -0.618424 -0.0339489 0.630483 -11.0656 -11.9338 -34.8135 # jumping subtree containing T0136:R 33 (32) jump= -0.619485 -0.486526 -0.104141 0.607195 -15.1959 -5.45537 -15.7222 # jumping subtree containing T0136:A 64 (63) jump= 0.303641 0.228093 0.700406 -0.604324 -6.98312 1.19345 -27.9177 # jumping subtree containing T0136:G 42 (41) jump= -0.998679 -0.00672349 0.0041236 0.0507769 -21.0619 -7.77819 -19.7923 # generation 43: best score out of 40: T0136.try1 61.5113 cost/residue, 88 clashes 0.017665 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 353 ## TwoFragment 7 ## CrossOver 86 ## CrossAndInsert 33 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 124 ## OptSubtree 380 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:R 33 (32) jump= -0.999911 0.0126202 -0.00437909 0.000121972 14.8898 -5.35251 11.1038 # jumping subtree containing T0136:A 64 (63) jump= -0.640691 -0.113583 -0.0240516 -0.75897 58.271 36.6709 -1.74267 # jumping subtree containing T0136:R 23 (22) jump= 0.816043 -0.487382 -0.102853 -0.29318 3.13487 62.5389 -8.99586 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:A 78 (77) jump= -0.892261 -0.30406 0.125663 0.309237 -17.0907 -11.1252 -29.9308 # jumping subtree containing T0136:R 23 (22) jump= 0.991627 0.0359977 0.122819 -0.0171754 -9.18346 2.17838 -13.9085 # Removing break before 41 # generation 44: best score out of 40: T0136.try1 61.3889 cost/residue, 91 clashes 0.035037 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 357 ## TwoFragment 7 ## CrossOver 86 ## CrossAndInsert 33 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 130 ## OptSubtree 402 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= 0.831978 -0.451304 -0.310263 0.0887316 14.5661 15.2847 32.7133 # jumping subtree containing T0136:R 33 (32) jump= -0.462681 0.645137 -0.484855 0.366932 49.555 32.1993 -26.8207 # jumping subtree containing T0136:R 33 (32) jump= -0.863541 0.33521 -0.182215 0.32974 26.2656 47.3933 3.97355 # generation 45: best score out of 40: T0136.try1 61.2301 cost/residue, 89 clashes 0.0260505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 86 ## CrossAndInsert 33 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 139 ## OptSubtree 423 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= -0.181051 0.210543 -0.242896 0.929459 4.05512 16.3712 -14.5223 # jumping subtree containing T0136:G 42 (41) jump= 0.849712 -0.460761 0.176934 0.185428 0.610229 32.6152 34.0708 # jumping subtree containing T0136:G 42 (41) jump= 0.935627 -0.161407 -0.0525289 0.3095 0.385986 11.1883 -23.9917 # Removing break before 41 # jumping subtree containing T0136:R 23 (22) jump= 0.994129 -0.020867 0.0973483 0.0423707 10.1039 -10.7534 14.6371 # generation 46: best score out of 40: T0136.try1 61.2301 cost/residue, 89 clashes 0.0260505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 87 ## CrossAndInsert 33 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 147 ## OptSubtree 443 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= -0.913586 -0.163719 -0.193361 0.318071 15.0956 -11.0181 3.173 # jumping subtree containing T0136:G 42 (41) jump= -0.986617 -0.0613196 -0.0502913 0.142469 -12.8297 14.5945 -10.0808 # generation 47: best score out of 40: T0136.try1 61.1063 cost/residue, 91 clashes 0.0434224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 91 ## CrossAndInsert 33 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 158 ## OptSubtree 463 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= 0.994869 0.0745482 0.0494823 -0.0472199 24.8352 7.07346 5.56276 # jumping subtree containing T0136:R 33 (32) jump= 0.299059 0.738263 -0.479806 0.367856 13.1609 22.4906 -20.3778 # jumping subtree containing T0136:F 59 (58) jump= -0.984933 0.149955 -0.0394731 -0.0765699 16.5098 19.4419 4.0695 # jumping subtree containing T0136:A 1 (0) jump= 0.00115309 0.906281 -0.323519 -0.27201 -8.13101 47.7544 -57.956 # Removing break before 41 # jumping subtree containing T0136:R 33 (32) jump= -0.838418 0.435524 0.193797 -0.264227 -19.6924 11.5446 -8.78047 # jumping subtree containing T0136:G 42 (41) jump= 0.388886 -0.906423 -0.15547 0.0547205 -13.6506 60.2167 -28.1104 # jumping subtree containing T0136:A 64 (63) jump= -0.189282 0.46694 -0.408494 -0.761099 -7.92571 56.2211 -51.4149 # jumping subtree containing T0136:G 42 (41) jump= -0.603015 0.12188 0.633392 -0.469397 -9.23591 -5.75064 -12.1427 # generation 48: best score out of 40: T0136.try1 61.1063 cost/residue, 91 clashes 0.0434224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 91 ## CrossAndInsert 34 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 162 ## OptSubtree 485 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.127596 -0.769092 0.238008 -0.579283 8.51554 12.5137 -6.98997 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.935479 -0.255512 0.234778 -0.0668804 15.4034 10.7326 33.6828 # jumping subtree containing T0136:G 42 (41) jump= 0.273027 0.34871 0.855219 0.269181 23.8789 -14.4154 -48.9683 # jumping subtree containing T0136:R 33 (32) jump= -0.0154879 0.271142 -0.473643 0.837798 8.87054 8.14371 -16.825 # jumping subtree containing T0136:H 68 (67) jump= -0.30539 0.950546 -0.0404917 -0.0394846 -23.3851 11.6962 -64.5876 # jumping subtree containing T0136:A 1 (0) jump= 0.935727 -0.0485775 0.336862 -0.0926248 -0.793972 19.4644 0.728669 # jumping subtree containing T0136:G 42 (41) jump= -0.758687 -0.366761 -0.405733 -0.353923 26.4935 32.0658 -22.903 # jumping subtree containing T0136:R 33 (32) jump= -0.0267165 -0.185701 -0.924804 -0.330968 -24.0654 26.5762 -31.8 # generation 49: best score out of 40: T0136.try1 61.1063 cost/residue, 91 clashes 0.0434224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 92 ## CrossAndInsert 34 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 169 ## OptSubtree 507 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.904155 -0.191013 0.280608 0.259376 20.4361 -5.47743 -10.8325 # jumping subtree containing T0136:G 42 (41) jump= 0.907503 0.0303186 -0.383595 0.168446 -21.8962 8.03851 4.7384 # jumping subtree containing T0136:G 42 (41) jump= 0.605342 0.768072 -0.176954 -0.110968 -4.80967 8.53767 -41.5581 # jumping subtree containing T0136:Q 41 (40) jump= 0.302015 -0.564727 -0.748237 0.17324 -8.46205 1.17749 6.07905 # generation 50: best score out of 40: T0136.try1 61.1063 cost/residue, 91 clashes 0.0434224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 92 ## CrossAndInsert 34 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 175 ## OptSubtree 525 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 68 (67) jump= -0.799834 -0.496719 0.267967 -0.204277 9.04661 -14.7931 0.76601 # jumping subtree containing T0136:A 1 (0) jump= 0.877906 -0.14429 0.0404878 -0.454776 -9.16204 16.5723 9.41907 # jumping subtree containing T0136:H 68 (67) jump= -0.996017 0.0189022 0.07005 -0.0518156 13.2594 10.2676 7.43121 # Removing break before 67 # generation 51: best score out of 40: T0136.try1 61.0687 cost/residue, 91 clashes 0.0434224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 359 ## TwoFragment 7 ## CrossOver 94 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 179 ## OptSubtree 542 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.926186 -0.307066 -0.0815506 0.203076 -17.4407 -4.45025 -23.9256 # jumping subtree containing T0136:R 33 (32) jump= 0.743654 0.449246 0.445793 -0.215468 10.1188 -65.3895 -85.5035 # jumping subtree containing T0136:H 68 (67) jump= -0.12659 0.276691 -0.691321 -0.655356 42.4 67.8919 -52.0681 # jumping subtree containing T0136:G 42 (41) jump= 0.462503 0.729798 0.483361 -0.140887 -5.97259 -39.3401 -108.675 # jumping subtree containing T0136:E 21 (20) jump= 0.450992 -0.56124 0.224116 -0.656801 48.1984 -42.1167 -58.4169 # generation 52: best score out of 40: T0136.try1 61.0687 cost/residue, 91 clashes 0.0434222 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 360 ## TwoFragment 7 ## CrossOver 94 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 181 ## OptSubtree 563 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= -0.912539 -0.265333 0.311162 -0.00699116 -22.5294 -42.9843 10.2126 # jumping subtree containing T0136:E 21 (20) jump= 0.711745 -0.273151 0.625924 -0.164399 30.8266 36.3072 -17.8573 # jumping subtree containing T0136:G 42 (41) jump= -0.978375 -0.0124625 -0.175799 0.108268 21.7127 -0.257725 25.3399 # jumping subtree containing T0136:V 80 (79) jump= 0.319008 0.665276 -0.487892 0.46648 15.4393 1.04569 3.08083 # generation 53: best score out of 40: T0136.try1 61.0687 cost/residue, 91 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 360 ## TwoFragment 7 ## CrossOver 95 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 191 ## OptSubtree 584 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:K 67 (66) jump= -0.936786 0.34939 -0.0187534 -0.00283479 18.3907 10.5304 -12.2081 # jumping subtree containing T0136:T 11 (10) jump= 0.246992 -0.372851 0.459554 0.767324 39.1657 44.2962 -3.57419 # jumping subtree containing T0136:H 68 (67) jump= 0.692678 0.642201 -0.0873364 0.31646 3.29625 -3.18114 -35.708 # jumping subtree containing T0136:R 15 (14) jump= -0.546099 -0.191331 -0.444246 0.683969 -13.4181 -1.89991 8.82247 # jumping subtree containing T0136:R 23 (22) jump= 0.679571 0.589565 -0.341707 -0.271722 -24.9593 10.458 -11.4956 # jumping subtree containing T0136:A 1 (0) jump= 0.161806 0.302608 -0.0808018 -0.935798 -58.6959 -32.8148 -15.9818 # jumping subtree containing T0136:K 77 (76) jump= 0.178236 0.192156 -0.863104 0.431695 -15.7132 -5.48285 -32.0261 # generation 54: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 97 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 196 ## OptSubtree 600 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= -0.993353 -0.0837002 -0.0780312 0.0124423 0.257321 19.8509 -11.835 # jumping subtree containing T0136:G 42 (41) jump= -0.792028 -0.466781 -0.0644818 0.388136 -13.2866 28.9259 -13.3648 # Removing break before 41 # jumping subtree containing T0136:H 68 (67) jump= -0.940679 -0.0888407 0.0383836 -0.325202 29.3056 16.1327 -6.04112 # Removing break before 41 # jumping subtree containing T0136:K 67 (66) jump= -0.801873 -0.199483 -0.315776 -0.466361 14.5536 -9.31483 -10.4549 # jumping subtree containing T0136:H 68 (67) jump= -0.891252 0.251799 0.122404 0.356769 -1.27792 7.9096 -17.2626 # jumping subtree containing T0136:R 23 (22) jump= 0.974983 -0.21995 -0.0163961 -0.0275849 27.2692 31.7224 -8.34505 # Removing break before 41 # generation 55: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 97 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 202 ## OptSubtree 618 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.784848 0.205667 0.475913 0.339444 47.4073 20.8262 -26.0798 # jumping subtree containing T0136:A 1 (0) jump= -0.189492 0.966261 -0.0244236 -0.17273 4.48777 67.0999 -48.9828 # jumping subtree containing T0136:G 42 (41) jump= 0.20047 -0.563321 -0.715234 0.36183 -47.4594 -6.01372 -126.316 # jumping subtree containing T0136:R 23 (22) jump= -0.812925 -0.127585 0.338335 0.456514 -20.5418 -7.27918 -0.351939 # jumping subtree containing T0136:E 48 (47) jump= 0.534406 0.0406412 -0.531264 0.656138 9.47894 11.5797 -23.9551 # jumping subtree containing T0136:G 63 (62) jump= 0.793975 -0.189193 -0.12876 0.563232 -45.1251 41.4071 -14.9937 # jumping subtree containing T0136:E 21 (20) jump= 0.911019 -0.0262124 0.265995 0.314014 36.3519 25.1166 -10.8029 # generation 56: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 97 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 207 ## OptSubtree 643 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.920307 -0.281878 -0.0225052 -0.270319 29.3451 1.69758 -2.70077 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= -0.708303 0.45076 -0.40726 -0.359529 60.2977 57.7807 -30.8951 # jumping subtree containing T0136:Q 38 (37) jump= 0.485421 -0.26267 -0.541779 0.633914 -1.33583 10.3397 -15.1415 # jumping subtree containing T0136:H 68 (67) jump= 0.199821 0.417271 0.877375 0.127158 13.7074 20.6445 -54.0878 # Removing break before 67 # jumping subtree containing T0136:A 1 (0) jump= -0.198869 0.572552 -0.467487 0.643499 50.3064 5.46677 -11.5053 # jumping subtree containing T0136:H 68 (67) jump= -0.992452 0.114748 -0.0386762 -0.0194139 13.3175 20.5372 19.9122 # jumping subtree containing T0136:R 33 (32) jump= -0.778897 0.198492 0.0634605 -0.591518 -5.00273 13.0614 -18.4306 # jumping subtree containing T0136:G 42 (41) jump= 0.897269 0.386513 -0.178693 -0.116551 -3.42147 6.40363 -16.9171 # generation 57: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434226 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 98 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 211 ## OptSubtree 662 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 77 (76) jump= 0.997666 0.00834986 -0.0652976 -0.0181248 -18.049 -18.6831 17.0907 # jumping subtree containing T0136:G 42 (41) jump= -0.590989 0.333284 0.727708 -0.100473 -9.67509 33.5298 -10.0171 # jumping subtree containing T0136:G 42 (41) jump= 0.81253 0.153727 0.0989542 0.553509 22.0758 -14.7072 -0.682402 # jumping subtree containing T0136:H 68 (67) jump= -0.852282 0.0768478 0.257431 0.448821 -40.6266 25.8022 -8.12522 # jumping subtree containing T0136:H 68 (67) jump= 0.275556 -0.0738592 0.898025 0.334912 22.2949 4.35711 -71.6469 # jumping subtree containing T0136:A 1 (0) jump= -0.450857 -0.258893 0.758952 0.392039 -10.1792 3.06134 -68.2457 # jumping subtree containing T0136:R 23 (22) jump= -0.73538 -0.201515 -0.203092 0.614297 -16.3172 20.7271 4.06117 # jumping subtree containing T0136:L 54 (53) jump= 0.946501 0.204612 0.128611 -0.213843 -5.8375 13.8601 -5.82997 # jumping subtree containing T0136:G 42 (41) jump= -0.118667 -0.24337 -0.938732 -0.213239 30.4478 1.03079 -31.4533 # jumping subtree containing T0136:G 42 (41) jump= 0.547403 -0.473141 -0.689432 0.0342181 -11.8705 11.988 18.8038 # generation 58: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434222 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 99 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 217 ## OptSubtree 679 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 68 (67) jump= 0.604693 -0.591701 -0.0800389 0.527096 -9.24154 45.8721 -11.3315 # jumping subtree containing T0136:G 42 (41) jump= -0.120687 0.30431 -0.735986 -0.592583 71.7032 46.8199 -39.3814 # Removing break before 67 # jumping subtree containing T0136:G 74 (73) jump= -0.725953 -0.446379 0.0124803 0.523051 -54.3331 15.3103 -61.582 # Removing break before 41 # jumping subtree containing T0136:E 48 (47) jump= 0.172396 -0.829047 0.445232 0.291084 16.6323 82.4023 -116.151 # Removing break before 67 # jumping subtree containing T0136:A 1 (0) jump= 0.571923 0.424656 -0.685146 0.152139 53.2398 13.6309 -57.8915 # jumping subtree containing T0136:H 68 (67) jump= -0.765343 0.587653 -0.14198 0.220809 -1.22484 73.6957 14.6915 # jumping subtree containing T0136:E 21 (20) jump= 0.0317355 0.723521 -0.678719 -0.121866 9.63009 53.2744 -51.5448 # jumping subtree containing T0136:A 1 (0) jump= -0.821554 -0.484093 -0.283578 -0.101421 6.71836 -22.2716 -62.456 # jumping subtree containing T0136:R 23 (22) jump= -0.626898 -0.474586 0.597428 0.157631 -5.79501 5.5217 -40.6742 # generation 59: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 100 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 221 ## OptSubtree 698 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 48 (47) jump= 0.992711 -0.10677 -0.0347624 -0.043789 -13.2312 21.4615 -3.91029 # jumping subtree containing T0136:H 68 (67) jump= -0.670488 0.440998 -0.48298 0.350282 39.0104 17.3621 -13.6062 # jumping subtree containing T0136:H 68 (67) jump= -0.63369 0.335663 0.407204 0.565643 -59.1147 48.8368 -19.4726 # jumping subtree containing T0136:E 48 (47) jump= -0.982193 0.00718795 0.122924 0.141895 -11.716 15.0409 16.4374 # jumping subtree containing T0136:G 42 (41) jump= -0.998042 -0.0465286 0.00802326 0.0410206 -24.6693 9.79594 -15.207 # generation 60: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 102 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 225 ## OptSubtree 716 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.862707 0.148938 -0.444093 -0.190619 51.3576 34.9154 -16.3071 # Removing break before 67 # jumping subtree containing T0136:A 1 (0) jump= -0.656217 0.479426 0.177692 0.554937 8.42131 105.011 -12.816 # jumping subtree containing T0136:H 68 (67) jump= 0.22157 0.48543 0.776765 -0.334515 -28.198 16.1004 -37.1602 # jumping subtree containing T0136:E 48 (47) jump= 0.758752 0.0428977 -0.39218 -0.518315 -65.8788 14.3013 -37.1405 # Removing break before 67 # jumping subtree containing T0136:V 80 (79) jump= 0.625052 -0.669237 -0.10352 0.388221 -32.5672 62.1448 9.15162 # jumping subtree containing T0136:H 68 (67) jump= -0.270296 -0.435384 -0.770907 -0.378263 15.4305 23.2458 -67.0541 # jumping subtree containing T0136:E 48 (47) jump= -0.456056 0.463235 -0.759649 -0.0189459 68.6302 53.8374 -91.6458 # Removing break before 41 # jumping subtree containing T0136:E 48 (47) jump= 0.949672 -0.269457 -0.138104 -0.0802637 -28.1829 17.0268 26.3458 # generation 61: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 104 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 229 ## OptSubtree 734 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:A 1 (0) jump= -0.49275 0.280998 -0.262799 0.780496 -8.97653 30.7457 37.6525 # Removing break before 67 # jumping subtree containing T0136:A 78 (77) jump= -0.501062 0.62902 -0.545129 0.236865 70.9165 22.5347 -28.5778 # jumping subtree containing T0136:S 10 (9) jump= -0.173311 -0.632725 -0.237679 0.716331 -67.0904 58.1537 -35.6946 # generation 62: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 106 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 236 ## OptSubtree 749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.978973 -0.1934 0.0636204 -0.0126835 -8.2497 8.16807 24.7201 # jumping subtree containing T0136:R 23 (22) jump= -0.096763 0.553728 -0.238714 -0.791857 -15.1225 114.095 -30.8336 # jumping subtree containing T0136:G 14 (13) jump= -0.999756 -0.00610467 -0.00482799 0.0206679 -15.6893 -8.86146 10.8967 # jumping subtree containing T0136:H 68 (67) jump= 0.794838 -0.382919 -0.357186 0.306634 -6.48015 16.9607 19.3107 # jumping subtree containing T0136:A 1 (0) jump= 0.943156 -0.0227133 0.183484 -0.276179 32.5171 10.2298 4.94845 # jumping subtree containing T0136:D 55 (54) jump= -0.586644 -0.222409 -0.778206 -0.0278863 31.2113 17.0885 -76.4124 # jumping subtree containing T0136:E 13 (12) jump= 0.62766 -0.744174 0.0766878 0.21533 4.76729 145.879 -32.188 # jumping subtree containing T0136:K 77 (76) jump= -0.975374 -0.086949 -0.165413 0.117149 6.73783 17.6887 -7.61643 # generation 63: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 110 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 240 ## OptSubtree 765 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 48 (47) jump= -0.6694 -0.555988 0.0231837 -0.492182 67.189 -4.9025 -81.2829 # jumping subtree containing T0136:G 42 (41) jump= 0.965733 0.0242861 -0.106162 -0.235582 -33.9695 15.2235 12.9438 # jumping subtree containing T0136:E 48 (47) jump= 0.506944 -0.820581 0.253307 -0.0740934 46.5456 124.462 -52.5475 # generation 64: best score out of 40: T0136.try1 60.8805 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 361 ## TwoFragment 7 ## CrossOver 114 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 243 ## OptSubtree 782 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.347407 -0.746037 0.31602 0.47209 -9.12957 112.441 -60.4195 # jumping subtree containing T0136:K 77 (76) jump= -0.999631 0.00529168 0.0223601 -0.0145193 -2.27652 -1.2769 15.8387 # jumping subtree containing T0136:R 23 (22) jump= 0.2464 -0.385358 0.632692 -0.62489 58.3695 5.86311 10.7923 # jumping subtree containing T0136:H 68 (67) jump= 0.9654 0.0833 0.238153 0.0659352 24.7035 -25.153 -22.0917 # jumping subtree containing T0136:K 77 (76) jump= -0.579532 -0.812755 -0.0560743 -0.0206596 -2.04563 28.8733 -71.9046 # jumping subtree containing T0136:H 68 (67) jump= 0.995853 0.0536047 -0.0440982 -0.0588071 5.18755 12.3316 -5.22287 # jumping subtree containing T0136:H 68 (67) jump= 0.364662 0.263781 0.751506 -0.482368 -6.86897 2.591 -12.4333 # jumping subtree containing T0136:V 80 (79) jump= 0.870843 0.0118052 -0.154715 0.46643 17.7481 -3.77875 22.2581 # jumping subtree containing T0136:K 77 (76) jump= -0.90354 0.139307 -0.0286555 -0.404212 35.3211 31.8668 29.7468 # generation 65: best score out of 40: T0136.try1 60.8471 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 362 ## TwoFragment 7 ## CrossOver 114 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 248 ## OptSubtree 800 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.173527 0.758742 0.158777 0.607445 19.0017 90.2841 -58.9166 # Removing break before 41 # jumping subtree containing T0136:E 61 (60) jump= 0.997206 0.0738186 -0.00767503 -0.00845635 14.1513 2.5987 -20.5021 # jumping subtree containing T0136:E 21 (20) jump= 0.667721 0.0469339 0.733959 -0.115105 28.0075 -4.65787 -49.8856 # Removing break before 67 # jumping subtree containing T0136:K 77 (76) jump= 0.0341477 0.88429 0.454654 -0.100771 -37.7186 63.8643 -54.9606 # jumping subtree containing T0136:K 77 (76) jump= -0.217151 0.582657 -0.730012 0.283618 18.0521 11.979 -94.8674 # jumping subtree containing T0136:K 77 (76) jump= 0.954787 0.20953 0.127848 -0.167732 -5.70794 -2.43394 -27.9787 # Removing break before 41 # jumping subtree containing T0136:H 68 (67) jump= -0.979761 0.114983 -0.150703 -0.0643064 8.75317 3.09376 -4.55246 # jumping subtree containing T0136:H 68 (67) jump= -0.279433 -0.870309 -0.299538 0.273417 -23.8645 12.0299 -73.5477 # jumping subtree containing T0136:H 68 (67) jump= -0.941496 0.287668 0.0506853 0.168118 -28.1271 28.2706 16.0792 # jumping subtree containing T0136:K 77 (76) jump= 0.270635 0.0416923 -0.531531 -0.801557 -38.7739 101.699 -53.9045 # Removing break before 67 # jumping subtree containing T0136:E 48 (47) jump= -0.718107 0.577204 0.214204 -0.324461 -1.13842 94.8184 15.856 # jumping subtree containing T0136:E 48 (47) jump= -0.868943 -0.301006 0.174838 -0.351801 3.77903 -18.7768 -36.0882 # jumping subtree containing T0136:A 1 (0) jump= -0.390733 0.445566 0.692417 -0.411531 -65.8848 8.34231 -48.1183 # jumping subtree containing T0136:R 23 (22) jump= 0.355746 -0.050351 -0.772711 0.523285 -22.9041 -6.66728 -4.98718 # generation 66: best score out of 40: T0136.try1 60.8471 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 362 ## TwoFragment 7 ## CrossOver 116 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 251 ## OptSubtree 819 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:H 68 (67) jump= -0.90454 0.356427 0.118613 0.201736 3.86078 40.2317 5.03284 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:H 68 (67) jump= -0.73236 0.352995 -0.30094 -0.498476 44.1739 72.1057 15.0356 # Removing break before 41 # jumping subtree containing T0136:E 21 (20) jump= 0.604162 0.568735 -0.0865448 -0.551397 -55.3926 -12.2962 -82.0314 # jumping subtree containing T0136:A 1 (0) jump= 0.369198 0.226239 -0.443647 0.784657 20.4008 -17.0444 -18.8995 # jumping subtree containing T0136:E 48 (47) jump= -0.277484 -0.178506 0.406157 0.852159 -36.9461 63.7815 -51.1989 # generation 67: best score out of 40: T0136.try1 60.8471 cost/residue, 95 clashes 0.0434223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 362 ## TwoFragment 7 ## CrossOver 116 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 259 ## OptSubtree 841 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.845713 -0.444441 0.159523 -0.248584 -2.5019 -22.1269 -31.9299 # jumping subtree containing T0136:R 23 (22) jump= -0.781797 -0.433612 0.363937 -0.261388 6.93369 -25.582 -41.7177 # jumping subtree containing T0136:H 68 (67) jump= -0.957818 0.177243 -0.199421 0.106777 24.2328 19.8871 30.5824 # jumping subtree containing T0136:H 68 (67) jump= -0.291721 0.948677 0.119549 -0.0248861 -19.1953 98.8406 -82.0338 # jumping subtree containing T0136:E 48 (47) jump= 0.998529 -0.02374 0.0414688 -0.0256147 0.524061 27.8658 -13.0784 # jumping subtree containing T0136:R 23 (22) jump= -0.978101 0.0180196 0.105898 0.178266 -29.7441 -20.076 -10.763 # jumping subtree containing T0136:E 48 (47) jump= 0.692801 -0.552862 0.363726 -0.286484 36.4627 84.5361 23.3774 # jumping subtree containing T0136:F 65 (64) jump= 0.00720657 0.698517 0.488732 -0.52265 -55.205 7.68909 -67.2665 # jumping subtree containing T0136:G 42 (41) jump= -0.768124 -0.301503 -0.36496 0.431144 -36.0967 -50.2741 -56.4971 # generation 68: best score out of 40: T0136.try1 60.847 cost/residue, 95 clashes 0.0434221 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 362 ## TwoFragment 7 ## CrossOver 116 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 261 ## OptSubtree 863 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.915873 0.277637 0.17735 0.229437 37.8654 -18.9553 -44.8774 # jumping subtree containing T0136:R 33 (32) jump= -0.241847 -0.64805 -0.668764 0.272574 -48.5255 23.0123 -87.7781 # jumping subtree containing T0136:H 68 (67) jump= -0.973262 0.0871479 0.212438 0.00609691 -43.5839 9.07327 -6.64023 # jumping subtree containing T0136:H 68 (67) jump= -0.627585 0.588818 0.482414 -0.163425 -48.1246 63.0039 -38.0111 # jumping subtree containing T0136:H 68 (67) jump= -0.272386 0.772544 -0.573365 0.0153105 52.9361 87.6204 -76.2898 # jumping subtree containing T0136:H 68 (67) jump= 0.642369 -0.0864957 0.248351 0.719862 74.2804 70.7677 -17.4755 # jumping subtree containing T0136:H 68 (67) jump= -0.294797 -0.440857 0.587681 0.611041 -40.6115 81.7944 -78.3248 # jumping subtree containing T0136:R 15 (14) jump= -0.87204 -0.0592703 0.48085 0.0694041 -60.4642 -19.145 -37.6887 # Removing break before 41 # generation 69: best score out of 40: T0136.try1 60.847 cost/residue, 95 clashes 0.043422 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 362 ## TwoFragment 7 ## CrossOver 117 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 262 ## OptSubtree 885 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.287103 -0.256611 0.640081 -0.664845 -5.0464 -11.9286 -22.392 # jumping subtree containing T0136:F 65 (64) jump= -0.994475 0.0298495 0.0724141 0.0698852 5.26798 27.5926 8.0328 # jumping subtree containing T0136:E 21 (20) jump= -0.954652 -0.212202 -0.0577318 0.200691 -12.4351 -19.3225 -4.0026 # jumping subtree containing T0136:F 65 (64) jump= 0.872656 0.242623 0.302488 -0.296829 -20.1673 -22.3099 -49.3784 # jumping subtree containing T0136:H 68 (67) jump= 0.966819 0.0319537 -0.251577 0.0307998 -20.2971 -15.3115 0.802297 # generation 70: best score out of 40: T0136.try1 60.847 cost/residue, 95 clashes 0.043422 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 362 ## TwoFragment 7 ## CrossOver 118 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 262 ## OptSubtree 908 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.775987 -0.553215 -0.188733 -0.237018 -16.0726 65.0149 -0.191817 # jumping subtree containing T0136:K 77 (76) jump= 0.232161 -0.944332 -0.233089 -0.00260315 -19.2797 61.764 -62.9551 # jumping subtree containing T0136:F 65 (64) jump= 0.54624 0.23806 -0.188677 -0.780609 -52.3711 21.8782 -18.1083 # Removing break before 41 # jumping subtree containing T0136:E 61 (60) jump= 0.517782 -0.692203 -0.217697 0.453171 -81.3559 55.6659 -42.1489 # jumping subtree containing T0136:K 77 (76) jump= 0.575728 -0.732202 -0.0878348 0.353132 -39.1229 77.2412 -46.6958 # generation 71: best score out of 40: T0136.try1 60.8258 cost/residue, 89 clashes 0.0260503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 362 ## TwoFragment 7 ## CrossOver 122 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 264 ## OptSubtree 926 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= -0.522409 -0.511492 0.678846 0.0680699 -41.5687 -25.8852 -105.571 # jumping subtree containing T0136:R 33 (32) jump= 0.25367 0.508123 0.816138 -0.10668 20.3119 -26.2296 -125.178 # jumping subtree containing T0136:E 21 (20) jump= -0.774136 -0.292172 -0.280905 0.486252 -25.7535 -31.2635 -57.1229 # jumping subtree containing T0136:K 77 (76) jump= 0.94895 -0.00320439 0.282529 -0.140216 17.9459 -15.4213 -26.3958 # jumping subtree containing T0136:G 42 (41) jump= -0.876218 -0.4178 -0.185703 -0.152315 51.423 -16.9201 -56.2174 # jumping subtree containing T0136:F 65 (64) jump= 0.277215 0.24364 -0.0161061 -0.929264 -116.215 22.0872 -19.9938 # jumping subtree containing T0136:K 77 (76) jump= 0.82474 -0.236328 -0.501388 -0.112083 -41.7136 28.8024 20.6165 # jumping subtree containing T0136:H 68 (67) jump= 0.172374 -0.599902 0.259849 -0.736806 60.8641 63.9666 -20.2153 # jumping subtree containing T0136:E 48 (47) jump= 0.691179 0.0958013 -0.160542 0.698083 34.0439 3.11815 1.06607 # generation 72: best score out of 40: T0136.try1 60.8258 cost/residue, 89 clashes 0.0260503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 363 ## TwoFragment 7 ## CrossOver 125 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 268 ## OptSubtree 942 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.0700837 0.046348 0.93647 -0.340535 -9.52143 -22.9649 -78.4586 # jumping subtree containing T0136:F 65 (64) jump= -0.385902 0.707909 0.139077 0.57498 19.1023 81.1662 -27.551 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.531118 -0.754198 -0.208381 0.32508 -37.9351 85.4522 -47.3565 # jumping subtree containing T0136:F 65 (64) jump= 0.999909 0.0108066 0.00304916 0.00748388 -11.5317 -6.21119 24.6695 # jumping subtree containing T0136:A 1 (0) jump= 0.849256 -0.317558 -0.420326 0.0353224 -61.5884 59.4044 -5.70509 # jumping subtree containing T0136:G 42 (41) jump= -0.96281 0.264669 -0.0542777 0.000660481 31.3599 40.3671 13.3588 # generation 73: best score out of 40: T0136.try1 60.7899 cost/residue, 103 clashes 0.0260503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 364 ## TwoFragment 7 ## CrossOver 126 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 273 ## OptSubtree 965 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= -0.453119 0.42738 0.633332 -0.45926 -55.061 -1.14204 -59.8515 # jumping subtree containing T0136:E 48 (47) jump= -0.839861 -0.229564 -0.327551 0.36694 8.45268 -49.1675 -36.6359 # jumping subtree containing T0136:K 77 (76) jump= 0.924558 0.333808 0.152002 -0.103247 12.4189 -31.9665 -39.355 # jumping subtree containing T0136:E 13 (12) jump= 0.355852 -0.676047 -0.620526 -0.176855 -55.4166 55.5764 -57.2988 # jumping subtree containing T0136:F 65 (64) jump= 0.986091 -0.0688589 -0.11113 0.10263 16.1584 1.52771 5.55372 # jumping subtree containing T0136:A 1 (0) jump= 0.619995 0.551447 -0.518697 0.206073 -2.95604 -62.2142 -87.6269 # jumping subtree containing T0136:R 23 (22) jump= 0.9012 -0.214168 -0.295703 -0.233518 -49.9263 31.1063 -10.2554 # jumping subtree containing T0136:E 13 (12) jump= -0.455961 0.286314 0.731092 -0.419082 -68.2737 -19.1722 -63.8933 # Removing break before 41 # generation 74: best score out of 40: T0136.try1 60.7899 cost/residue, 103 clashes 0.0260501 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 364 ## TwoFragment 7 ## CrossOver 126 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 276 ## OptSubtree 986 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.721157 -0.260763 0.542413 0.343108 -62.1832 -4.20783 -62.6369 # jumping subtree containing T0136:P 56 (55) jump= 0.11669 -0.0601991 0.990895 0.0297754 0.925396 11.6856 -98.2771 # jumping subtree containing T0136:P 56 (55) jump= 0.195197 -0.12294 -0.69832 -0.677594 -20.9084 64.5104 -76.035 # jumping subtree containing T0136:F 65 (64) jump= -0.559038 0.811245 0.107294 0.133591 17.746 91.082 -39.2717 # jumping subtree containing T0136:A 46 (45) jump= 0.966257 0.0039844 0.059503 -0.25058 -4.55897 -14.6931 -7.50874 # jumping subtree containing T0136:E 21 (20) jump= -0.549048 0.798297 0.00579284 0.247458 -5.58371 97.1785 -32.8062 # jumping subtree containing T0136:F 65 (64) jump= -0.452575 -0.729631 0.262321 -0.440456 60.1656 -32.0762 -88.4865 # generation 75: best score out of 40: T0136.try1 60.7899 cost/residue, 103 clashes 0.0260501 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 364 ## TwoFragment 7 ## CrossOver 127 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 281 ## OptSubtree 1011 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= 0.784917 -0.341485 -0.111342 -0.504873 -25.538 42.3226 5.72266 # jumping subtree containing T0136:F 65 (64) jump= -0.973298 0.145309 0.0635491 0.165946 -10.3017 -2.45331 20.5735 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= 0.0633824 -0.683941 0.726766 -0.00440721 18.6014 55.1022 -112.287 # jumping subtree containing T0136:F 65 (64) jump= -0.822841 -0.303292 0.0594327 -0.47688 49.296 -39.9733 -29.3364 # jumping subtree containing T0136:F 65 (64) jump= 0.357349 -0.485468 0.0860225 -0.793235 39.393 60.1101 13.8752 # jumping subtree containing T0136:A 1 (0) jump= 0.659726 0.19464 0.725711 0.0148542 26.5413 -19.5274 -104.843 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= 0.95687 -0.0508117 0.243847 -0.149521 31.2284 4.78069 2.48312 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.836514 -0.05519 0.512701 -0.185301 87.2625 -18.4229 -64.2694 # jumping subtree containing T0136:G 42 (41) jump= -0.733652 0.405535 -0.100882 0.535835 -20.0702 37.1704 -10.1265 # generation 76: best score out of 40: T0136.try1 60.5382 cost/residue, 98 clashes 0.0260503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 365 ## TwoFragment 7 ## CrossOver 128 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 283 ## OptSubtree 1034 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:R 23 (22) jump= 0.0934854 -0.755358 0.348938 0.546751 -45.8213 72.5982 -103.97 # jumping subtree containing T0136:F 65 (64) jump= 0.453282 -0.162642 0.33695 -0.809041 85.6714 3.38701 -6.74972 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= -0.465959 0.171888 -0.552485 -0.669401 -1.93324 117.837 -67.8051 # jumping subtree containing T0136:A 1 (0) jump= -0.195102 -0.820357 -0.435802 0.314684 -44.1908 -7.39298 -110.211 # jumping subtree containing T0136:K 77 (76) jump= 0.81907 -0.174302 0.469399 0.280016 60.7152 25.2446 -25.4088 # jumping subtree containing T0136:F 65 (64) jump= -0.828124 0.126218 0.453347 -0.304558 -51.2513 -8.4577 -29.5794 # generation 77: best score out of 40: T0136.try1 60.5382 cost/residue, 98 clashes 0.0260503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 365 ## TwoFragment 7 ## CrossOver 129 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 288 ## OptSubtree 1055 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= 0.00575025 0.726061 -0.442862 -0.525999 -30.8279 76.7574 -75.0205 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= -0.644786 -0.378911 0.160536 -0.644132 54.5278 -21.8775 -24.0054 # jumping subtree containing T0136:E 48 (47) jump= 0.893803 -0.127354 0.361438 0.232937 70.9572 29.9058 -18.1001 # jumping subtree containing T0136:A 64 (63) jump= 0.390661 -0.413105 -0.762224 -0.309423 -50.5892 84.4725 -77.2804 # jumping subtree containing T0136:F 65 (64) jump= -0.311665 0.118522 -0.804803 -0.491028 45.057 52.592 -119.58 # jumping subtree containing T0136:P 56 (55) jump= -0.999918 0.00490852 0.00906466 -0.0076048 -2.85057 -5.21544 -16.0982 # generation 78: best score out of 40: T0136.try1 60.5381 cost/residue, 98 clashes 0.0260506 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 365 ## TwoFragment 7 ## CrossOver 130 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 293 ## OptSubtree 1081 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.172947 -0.510049 0.635496 0.553249 24.6374 108.16 -84.06 # jumping subtree containing T0136:A 1 (0) jump= 0.521697 -0.586855 0.474098 0.398328 59.168 110.561 -55.5867 # jumping subtree containing T0136:F 65 (64) jump= 0.824635 -0.445732 -0.279572 0.207701 -36.6561 58.0916 26.8131 # jumping subtree containing T0136:Q 41 (40) jump= -0.770059 0.138904 0.133921 0.608095 -22.6459 58.1138 -3.74123 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= -0.351791 0.875995 -0.242873 -0.223358 1.11784 134.894 -90.3747 # jumping subtree containing T0136:R 23 (22) jump= 0.82075 0.384216 0.345654 0.243456 34.199 -20.3519 -28.5953 # jumping subtree containing T0136:P 56 (55) jump= -0.944053 -0.322894 -0.0627753 0.023703 9.93786 -23.0986 -16.4491 # jumping subtree containing T0136:P 56 (55) jump= 0.236951 -0.357777 -0.158445 0.889239 -44.8515 42.2803 -0.886151 # generation 79: best score out of 40: T0136.try1 60.5381 cost/residue, 98 clashes 0.0260506 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 365 ## TwoFragment 7 ## CrossOver 130 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 293 ## OptSubtree 1105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.99997 -0.00555433 -0.00497877 0.00209515 -2.29439 -7.04233 5.59639 # jumping subtree containing T0136:P 56 (55) jump= -0.993311 -0.0929999 0.0259525 -0.0633381 -0.913473 1.47254 -10.8882 # jumping subtree containing T0136:A 64 (63) jump= -0.639664 -0.690224 -0.2602 0.216139 -15.3921 16.1148 -84.5601 # jumping subtree containing T0136:A 1 (0) jump= -0.154535 0.639815 0.565721 0.496705 -5.80156 83.4904 -86.3153 # jumping subtree containing T0136:F 65 (64) jump= 0.998471 0.0382719 0.013774 0.0374328 -9.55993 18.5767 -11.06 # jumping subtree containing T0136:R 33 (32) jump= -0.397135 -0.730959 -0.189395 -0.521644 46.8679 8.04573 -101.568 # jumping subtree containing T0136:F 65 (64) jump= -0.332816 0.578385 -0.442901 -0.598785 20.5138 103.877 -71.2419 # jumping subtree containing T0136:S 58 (57) jump= -0.991924 0.0468511 0.101445 0.0600085 -27.2674 -11.2298 -15.9877 # jumping subtree containing T0136:E 48 (47) jump= 0.475999 -0.571455 0.651338 0.150411 73.0182 69.0736 -106.908 # jumping subtree containing T0136:P 56 (55) jump= 0.559688 0.804289 -0.120852 -0.158948 -28.3267 6.02392 -83.9059 # generation 80: best score out of 40: T0136.try1 60.39 cost/residue, 91 clashes 0.0260501 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 131 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 295 ## OptSubtree 1125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.421811 -0.0371397 0.499566 -0.755731 -20.3864 -25.6635 5.27728 # jumping subtree containing T0136:A 1 (0) jump= 0.678469 0.698474 0.130353 0.186607 36.3444 -36.1963 -86.4287 # jumping subtree containing T0136:R 15 (14) jump= -0.379593 0.6851 -0.588793 -0.199676 33.3927 70.9475 -97.3158 # jumping subtree containing T0136:F 65 (64) jump= -0.581818 0.23611 -0.704208 -0.331408 36.9184 68.307 -93.8383 # generation 81: best score out of 40: T0136.try1 60.39 cost/residue, 91 clashes 0.0260505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 132 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 297 ## OptSubtree 1150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 48 (47) jump= -0.901434 -0.386574 0.096455 0.169334 -25.1151 -23.1729 -48.974 # jumping subtree containing T0136:G 29 (28) jump= 0.135034 0.274325 0.933796 0.185841 55.7605 4.53082 -125.41 # jumping subtree containing T0136:F 65 (64) jump= 0.917179 -0.392904 0.0643717 -0.0163149 22.2662 70.7863 18.2674 # jumping subtree containing T0136:E 61 (60) jump= 0.150565 0.533891 0.0834186 -0.827847 -78.5349 40.3261 -51.2946 # Removing break before 41 # jumping subtree containing T0136:P 56 (55) jump= 0.688033 -0.00938065 -0.620046 -0.376916 -77.8335 52.6266 -66.1974 # jumping subtree containing T0136:F 65 (64) jump= 0.953736 0.177293 -0.00172926 0.242799 16.7896 -38.2446 7.94645 # generation 82: best score out of 40: T0136.try1 60.39 cost/residue, 91 clashes 0.0260503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 133 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 303 ## OptSubtree 1176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.999097 -0.041936 0.00543312 0.00414134 16.1896 4.97397 27.5364 # jumping subtree containing T0136:F 65 (64) jump= -0.479269 -0.716431 -0.218747 -0.45736 66.6902 -20.5326 -109.458 # jumping subtree containing T0136:E 48 (47) jump= 0.742265 0.467543 -0.433057 0.207143 -13.3086 -60.2552 -80.0304 # jumping subtree containing T0136:P 56 (55) jump= 0.845713 -0.315039 0.403358 -0.151069 53.1332 55.2086 -25.1017 # jumping subtree containing T0136:A 1 (0) jump= 0.555938 0.234727 0.747013 0.278941 52.14 15.7428 -70.0889 # jumping subtree containing T0136:F 65 (64) jump= -0.520218 0.257746 -0.105915 -0.807293 17.676 71.6502 -10.4768 # jumping subtree containing T0136:E 13 (12) jump= -0.477655 0.613256 0.628542 -0.0264136 -90.3442 81.562 -77.8448 # generation 83: best score out of 40: T0136.try1 60.39 cost/residue, 91 clashes 0.0260504 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 134 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 307 ## OptSubtree 1197 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.974928 0.0756025 -0.0757243 -0.195105 -0.57304 -8.80798 -6.87268 # jumping subtree containing T0136:F 65 (64) jump= 0.42561 -0.812963 0.056396 -0.393404 47.6267 75.9292 -48.4214 # jumping subtree containing T0136:F 65 (64) jump= -0.213116 -0.30822 -0.724969 -0.577929 21.8292 75.3879 -95.2756 # jumping subtree containing T0136:K 77 (76) jump= 0.968785 0.192648 0.100783 0.119103 13.4816 -10.5736 -34.3951 # jumping subtree containing T0136:E 61 (60) jump= -0.374877 0.653657 0.597239 0.274783 -23.4952 85.5858 -109.717 # jumping subtree containing T0136:G 42 (41) jump= -0.213816 0.700707 -0.319516 0.601 44.7691 35.557 -62.7501 # jumping subtree containing T0136:K 67 (66) jump= -0.924174 0.298308 -0.104729 0.21435 29.1251 41.5945 -18.8977 # jumping subtree containing T0136:F 73 (72) jump= 0.779703 -0.524214 0.163169 -0.301062 12.3732 92.4519 -3.36108 # jumping subtree containing T0136:F 65 (64) jump= -0.613557 -0.22678 0.191445 -0.731756 50.3766 -8.53977 -9.68119 # jumping subtree containing T0136:R 33 (32) jump= -0.645126 0.638439 -0.345417 0.238528 84.6007 75.8977 -54.6566 # generation 84: best score out of 40: T0136.try1 60.39 cost/residue, 91 clashes 0.0260501 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 138 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 310 ## OptSubtree 1214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.998732 -0.037635 0.0111838 0.0315238 -18.2239 0.613825 22.8808 # jumping subtree containing T0136:P 56 (55) jump= 0.977323 -0.172374 0.0483042 0.113112 7.84244 11.5407 31.4401 # jumping subtree containing T0136:R 15 (14) jump= 0.891863 0.15742 -0.108009 -0.410042 -57.5219 0.546823 -0.668953 # Removing break before 41 # jumping subtree containing T0136:R 23 (22) jump= 0.989433 -0.11664 -0.0144005 0.0849118 0.806319 0.720114 6.18472 # jumping subtree containing T0136:F 65 (64) jump= -0.516714 -0.835973 0.0253702 -0.183064 32.6834 -23.4883 -102.665 # jumping subtree containing T0136:F 65 (64) jump= -0.911423 0.31744 0.242246 0.0992837 -34.3566 69.4587 -20.3285 # jumping subtree containing T0136:F 65 (64) jump= -0.23852 0.440986 0.355783 0.788706 9.2199 106.986 -49.3998 # Removing break before 41 # jumping subtree containing T0136:R 23 (22) jump= 0.224687 -0.820521 -0.0750432 -0.520221 36.5585 124.506 -97.0093 # jumping subtree containing T0136:F 65 (64) jump= -0.103755 -0.923093 -0.0930071 0.358447 -52.6421 28.4959 -149.245 # jumping subtree containing T0136:A 1 (0) jump= 0.152674 0.730775 -0.157389 0.646442 91.0773 19.4598 -68.119 # jumping subtree containing T0136:F 65 (64) jump= 0.667597 -0.416878 0.195764 0.584981 -2.77758 90.4768 -48.5058 # jumping subtree containing T0136:F 65 (64) jump= -0.169115 -0.370345 -0.489772 0.770953 -0.33502 -42.8577 -28.5061 # jumping subtree containing T0136:R 33 (32) jump= 0.818542 0.352509 -0.219956 -0.396668 -66.6083 5.05218 -52.4396 # jumping subtree containing T0136:R 23 (22) jump= 0.686265 -0.0651203 0.22571 0.688371 41.041 51.9998 -18.296 # generation 85: best score out of 40: T0136.try1 60.39 cost/residue, 91 clashes 0.0260501 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 140 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 311 ## OptSubtree 1235 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.140958 -0.0247599 -0.373252 0.916625 46.6062 -13.9218 -1.63104 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= 0.844431 0.0740579 0.52844 -0.0469355 75.7548 -17.5083 -39.7406 # jumping subtree containing T0136:E 61 (60) jump= -0.273068 -0.481767 0.822582 0.129204 -46.3551 -6.54094 -166.872 # jumping subtree containing T0136:G 42 (41) jump= 0.0238679 0.214057 0.124572 -0.968551 -17.2357 61.7459 -7.98977 # jumping subtree containing T0136:K 77 (76) jump= -0.412775 -0.155887 -0.682423 0.582765 48.2231 -38.9285 -2.23033 # jumping subtree containing T0136:K 67 (66) jump= 0.399093 0.592505 -0.217827 0.664992 61.6725 -32.6082 -98.9102 # jumping subtree containing T0136:K 77 (76) jump= 0.930806 0.272213 -0.216487 -0.112396 -26.8776 -24.8882 -30.7531 # jumping subtree containing T0136:R 23 (22) jump= -0.244787 -0.157727 -0.49195 -0.820479 62.3188 107.06 -79.3832 # jumping subtree containing T0136:P 56 (55) jump= 0.554457 0.793969 -0.239665 -0.0689253 -19.1464 4.27946 -107.624 # jumping subtree containing T0136:F 65 (64) jump= 0.155477 -0.137296 0.304471 0.929664 20.038 108.59 -28.518 # generation 86: best score out of 40: T0136.try1 60.3896 cost/residue, 91 clashes 0.0260505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 144 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 313 ## OptSubtree 1255 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.392583 -0.124436 0.127275 -0.902328 8.18891 20.1031 4.07511 # jumping subtree containing T0136:E 61 (60) jump= -0.534983 -0.428865 0.569541 0.453311 -65.6068 50.696 -126.974 # jumping subtree containing T0136:F 65 (64) jump= -0.275624 -0.772398 0.326738 0.46976 -96.173 2.85577 -127.148 # jumping subtree containing T0136:P 56 (55) jump= -0.572901 0.636195 0.288171 0.428949 7.40076 69.086 -42.7608 # jumping subtree containing T0136:G 42 (41) jump= -0.532977 -0.165585 0.32262 0.764482 -19.326 89.9658 -56.3391 # jumping subtree containing T0136:F 65 (64) jump= -0.898077 -0.141507 -0.385942 0.156467 47.8311 -52.4592 -22.1396 # jumping subtree containing T0136:F 65 (64) jump= -0.791768 0.0492916 -0.572824 0.206268 63.0551 9.46717 -52.001 # jumping subtree containing T0136:R 15 (14) jump= 0.607624 0.0107076 -0.740753 0.286293 -52.4669 -29.3445 -84.1314 # jumping subtree containing T0136:G 42 (41) jump= 0.862322 0.432188 0.263089 0.0199647 44.379 -45.2461 -54.1165 # jumping subtree containing T0136:F 65 (64) jump= -0.876893 0.443498 -0.0201274 -0.184289 -1.72785 91.9688 -10.5834 # generation 87: best score out of 40: T0136.try1 60.3896 cost/residue, 91 clashes 0.0260503 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 146 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 315 ## OptSubtree 1275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 9 (8) jump= -0.981455 -0.0752577 -0.0812976 -0.156441 29.1479 -32.6701 8.17539 # jumping subtree containing T0136:F 65 (64) jump= 0.272285 0.694241 -0.644144 -0.1702 -32.3462 2.86575 -167.006 # jumping subtree containing T0136:F 65 (64) jump= 0.0215128 0.410605 0.427883 -0.804895 -50.7205 30.4301 -23.4399 # jumping subtree containing T0136:A 1 (0) jump= -0.358161 -0.23781 0.632866 -0.643932 7.39627 -54.9522 -79.375 # jumping subtree containing T0136:R 23 (22) jump= 0.578334 -0.644349 -0.162959 0.473063 -50.5366 76.7354 -78.7391 # jumping subtree containing T0136:G 42 (41) jump= 0.85324 -0.174885 0.188671 0.453651 34.7839 68.4638 11.468 # jumping subtree containing T0136:E 21 (20) jump= 0.999219 -0.0362398 0.0157758 0.000340662 -7.24853 7.38235 -21.0201 # jumping subtree containing T0136:M 75 (74) jump= 0.813477 -0.334212 0.472077 0.0608282 81.2958 63.6516 -8.78523 # jumping subtree containing T0136:K 67 (66) jump= 0.8107 0.0406599 0.566057 0.143848 95.9819 10.0558 -52.8066 # jumping subtree containing T0136:A 64 (63) jump= 0.855317 -0.363445 -0.365368 0.0533447 -76.4147 50.3562 -30.1239 # generation 88: best score out of 40: T0136.try1 60.3896 cost/residue, 91 clashes 0.0260505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 366 ## TwoFragment 7 ## CrossOver 147 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 315 ## OptSubtree 1298 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.795103 0.439688 -0.414617 -0.0507784 85.185 74.7214 -73.5894 # jumping subtree containing T0136:F 65 (64) jump= 0.284898 -0.932299 -0.221962 0.0195891 -27.103 86.7014 -131.094 # jumping subtree containing T0136:F 65 (64) jump= 0.999455 0.00965881 -0.0311529 0.00515601 13.6688 -20.9238 -2.75115 # jumping subtree containing T0136:R 15 (14) jump= -0.783431 0.409161 0.410372 -0.224541 -58.4109 18.5076 -15.1843 # jumping subtree containing T0136:F 65 (64) jump= -0.731153 0.233882 0.0449464 -0.639293 -17.8074 45.6202 -20.9111 # jumping subtree containing T0136:F 65 (64) jump= -0.996723 -0.0508942 0.0569607 0.0266303 -11.4928 19.4997 5.18395 # jumping subtree containing T0136:I 26 (25) jump= 0.977694 -0.186632 0.0248249 0.0930926 20.3904 52.1329 12.7949 # jumping subtree containing T0136:R 15 (14) jump= -0.127954 -0.420904 0.451704 -0.776164 62.6643 -5.54223 -54.0601 # jumping subtree containing T0136:F 65 (64) jump= 0.869891 0.324492 -0.36972 -0.0360828 -60.1219 -60.0079 -36.0015 # jumping subtree containing T0136:F 65 (64) jump= 0.957475 -0.163225 -0.10539 -0.213288 -32.4767 56.5431 -15.4754 # generation 89: best score out of 40: T0136.try1 60.3133 cost/residue, 96 clashes 0.0260505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 148 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 315 ## OptSubtree 1323 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.977276 -0.175219 -0.0584265 -0.104004 3.0391 -45.9871 -34.0502 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= -0.989965 -0.0447136 0.0969232 0.092605 -26.6846 8.18514 -15.8223 # jumping subtree containing T0136:R 15 (14) jump= 0.563416 -0.0514877 0.815271 0.123468 71.4532 10.3102 -88.2852 # jumping subtree containing T0136:F 65 (64) jump= 0.150313 0.0826267 0.868632 -0.46482 -7.68361 -64.6714 -149.824 # jumping subtree containing T0136:E 21 (20) jump= -0.972112 0.0891418 0.181009 -0.119531 -36.5954 -6.98685 17.1732 # jumping subtree containing T0136:F 65 (64) jump= -0.845691 -0.200049 0.243311 -0.430799 -15.7929 -40.8842 -37.5849 # jumping subtree containing T0136:R 15 (14) jump= 0.976762 0.167253 0.1142 0.0701513 10.2155 -30.1287 -8.86531 # generation 90: best score out of 40: T0136.try1 60.3133 cost/residue, 96 clashes 0.0260505 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 149 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 323 ## OptSubtree 1342 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.290712 -0.417068 0.42027 0.751607 13.5081 100.828 -73.4322 # jumping subtree containing T0136:R 33 (32) jump= 0.183598 0.480755 -0.818059 -0.256801 -40.6561 25.48 -148.644 # jumping subtree containing T0136:F 73 (72) jump= 0.927207 -0.277631 -0.248672 0.0370077 -52.3464 23.3354 -18.2818 # jumping subtree containing T0136:K 77 (76) jump= -0.843622 0.0239712 0.535729 0.026852 -71.1454 3.90923 -51.861 # jumping subtree containing T0136:R 33 (32) jump= -0.960488 -0.0925818 0.218502 0.145428 -57.3161 -15.1434 6.87214 # jumping subtree containing T0136:A 1 (0) jump= 0.0224658 -0.703286 -0.120747 -0.700217 97.3083 80.2117 -99.9114 # jumping subtree containing T0136:P 56 (55) jump= -0.998889 -0.00151267 -0.0164203 0.0441365 -9.64947 20.7558 9.70379 # jumping subtree containing T0136:M 75 (74) jump= -0.101813 0.703363 0.514168 -0.480151 -75.9213 20.1094 -118.386 # jumping subtree containing T0136:R 15 (14) jump= 0.409997 0.435238 0.232657 -0.767034 -32.257 0.82658 -28.4068 # jumping subtree containing T0136:R 23 (22) jump= -0.910043 0.251987 0.305635 0.122116 -47.7055 42.6626 -0.086627 # generation 91: best score out of 40: T0136.try1 60.3133 cost/residue, 96 clashes 0.0260504 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 150 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 327 ## OptSubtree 1371 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.767835 -0.162556 -0.404 -0.469881 92.4064 31.6496 -27.4876 # jumping subtree containing T0136:R 15 (14) jump= -0.86419 0.397795 -0.301498 0.0635077 53.8746 56.5314 10.5815 # jumping subtree containing T0136:R 15 (14) jump= -0.999884 0.0152013 0.000195433 0.000260339 2.79259 -4.91154 -13.479 # jumping subtree containing T0136:P 56 (55) jump= 0.701063 -0.318193 -0.176818 0.613188 -37.278 61.2605 -10.5805 # jumping subtree containing T0136:R 15 (14) jump= -0.649648 0.567041 0.0684408 0.501735 17.1849 101.565 -29.7573 # jumping subtree containing T0136:R 15 (14) jump= 0.891119 0.177201 0.310132 0.279866 71.228 -26.9716 -12.4181 # jumping subtree containing T0136:R 15 (14) jump= 0.0533011 0.841875 -0.21315 -0.492922 -61.0827 91.0074 -127.388 # jumping subtree containing T0136:R 23 (22) jump= -0.956039 0.200989 -0.166316 0.133909 30.6388 38.9195 12.4765 # jumping subtree containing T0136:R 15 (14) jump= 0.843404 -0.144044 -0.329735 0.398995 -23.2639 18.8825 -7.37267 # jumping subtree containing T0136:R 15 (14) jump= -0.647023 -0.124234 0.350657 -0.665558 -15.423 -3.72825 25.6035 # jumping subtree containing T0136:F 65 (64) jump= -0.271077 -0.194008 -0.823287 0.45943 -14.5402 -109.396 -155.343 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= -0.614684 0.582419 -0.47054 -0.248079 31.3316 95.2608 -82.9914 # jumping subtree containing T0136:R 15 (14) jump= 0.744033 -0.0846688 -0.596773 -0.288286 -65.0489 47.0697 -90.4131 # jumping subtree containing T0136:F 65 (64) jump= -0.200122 -0.727214 -0.163551 -0.635895 89.4547 62.4033 -115.015 # jumping subtree containing T0136:R 47 (46) jump= -0.561052 -0.366114 -0.554896 -0.493226 69.8912 62.8013 -111.811 # jumping subtree containing T0136:E 61 (60) jump= -0.60334 -0.617088 -0.0580159 -0.501814 82.1179 -50.9082 -80.6964 # jumping subtree containing T0136:T 70 (69) jump= 0.316931 0.255149 -0.660982 -0.630521 -64.8053 67.3921 -121.068 # generation 92: best score out of 40: T0136.try1 60.3133 cost/residue, 96 clashes 0.0260499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 150 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 331 ## OptSubtree 1393 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.156649 -0.708444 0.597813 -0.340864 58.4504 -4.07884 -165.378 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.555911 0.751744 0.266237 0.234441 55.3292 -2.78593 -137.946 # jumping subtree containing T0136:E 61 (60) jump= 0.237672 -0.944347 -0.0039816 -0.227385 17.2255 55.6919 -141.319 # jumping subtree containing T0136:I 26 (25) jump= -0.00305424 -0.995894 0.0734739 0.0527887 -13.8437 69.3268 -150.134 # generation 93: best score out of 40: T0136.try1 60.3132 cost/residue, 96 clashes 0.0260499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 152 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 336 ## OptSubtree 1413 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 4 (3) jump= -0.969104 -0.0156801 0.218416 0.113515 -75.635 -16.682 4.47859 # jumping subtree containing T0136:F 65 (64) jump= 0.21006 0.281464 -0.884629 0.306733 -44.0842 -67.3886 -125.74 # jumping subtree containing T0136:F 65 (64) jump= 0.996438 -1.09947e-07 0.0777087 -0.0327635 5.63067 -21.7594 -14.2833 # jumping subtree containing T0136:E 48 (47) jump= -0.922144 -0.322584 -0.169975 0.129221 -8.27956 -67.592 -35.2141 # jumping subtree containing T0136:F 65 (64) jump= -0.981109 -0.143544 0.0905617 0.0928385 -19.6438 -19.1163 -7.71571 # jumping subtree containing T0136:F 65 (64) jump= 0.0170789 0.397457 0.299505 0.867198 37.7561 124.03 -54.8771 # jumping subtree containing T0136:F 65 (64) jump= -0.198278 0.289869 0.0240773 -0.935993 -106.075 99.2839 -25.3678 # jumping subtree containing T0136:R 15 (14) jump= 0.923465 -0.348216 -0.133353 0.0904163 -5.09278 43.1419 -15.2902 # jumping subtree containing T0136:I 26 (25) jump= 0.693475 -0.387168 -0.142338 0.590706 -25.8924 108.671 -26.8594 # jumping subtree containing T0136:F 65 (64) jump= -0.848971 -0.440802 -0.23469 -0.172808 65.788 -69.7053 -64.8851 # jumping subtree containing T0136:R 15 (14) jump= -0.314912 -0.803433 -0.332988 -0.380059 55.1866 -10.4707 -147.857 # jumping subtree containing T0136:F 65 (64) jump= -0.988834 0.105459 0.0518597 0.091635 -15.3486 3.661 -0.732979 # generation 94: best score out of 40: T0136.try1 60.3132 cost/residue, 96 clashes 0.0260499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 153 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 337 ## OptSubtree 1438 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.28361 -0.43375 0.853949 0.0468785 -101.936 -22.961 -259.596 # jumping subtree containing T0136:G 42 (41) jump= 0.992151 0.0715342 0.10122 0.0165698 37.4072 -39.1299 -21.2591 # jumping subtree containing T0136:N 5 (4) jump= -0.824626 -0.287484 0.283306 -0.396336 -20.2664 -90.1381 -45.9747 # jumping subtree containing T0136:F 65 (64) jump= -0.904576 -0.121163 -0.337624 0.230371 65.4551 -43.95 -72.4807 # jumping subtree containing T0136:F 65 (64) jump= 0.694181 0.545126 0.433615 -0.181464 7.66236 -44.1924 -142.169 # jumping subtree containing T0136:R 15 (14) jump= 0.88809 0.19204 -0.307626 0.282457 -67.438 -53.4808 -13.5181 # jumping subtree containing T0136:F 65 (64) jump= 0.936388 -0.305058 -0.106544 0.136985 -5.10603 66.3187 7.74708 # jumping subtree containing T0136:R 15 (14) jump= 0.744914 0.301136 -0.529732 0.271671 -104.362 -88.1517 -74.34 # generation 95: best score out of 40: T0136.try1 60.3132 cost/residue, 96 clashes 0.0260499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 156 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 337 ## OptSubtree 1459 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.845869 -0.493362 0.171092 -0.108755 -32.8641 -87.7053 -78.4184 # jumping subtree containing T0136:H 68 (67) jump= 0.0350867 0.92339 -0.0510664 -0.378831 -75.6084 113.653 -186.765 # jumping subtree containing T0136:E 61 (60) jump= -0.102708 0.752292 -0.595846 -0.261678 -44.8993 48.505 -272.156 # jumping subtree containing T0136:G 42 (41) jump= -0.929495 -0.337712 0.138107 0.0540069 -42.2669 -88.0822 -13.6686 # jumping subtree containing T0136:F 65 (64) jump= -0.784893 -0.0210836 -0.473676 -0.398911 82.8614 54.3207 -84.9412 # jumping subtree containing T0136:F 65 (64) jump= -0.846613 -0.501581 -0.152142 0.0922847 18.6874 -140.965 -85.1441 # jumping subtree containing T0136:F 65 (64) jump= -0.721772 0.508389 -0.178562 0.434398 41.5685 83.7939 -1.65776 # jumping subtree containing T0136:R 15 (14) jump= -0.171266 -0.875752 0.190385 -0.409243 63.9105 -70.3346 -176.449 # jumping subtree containing T0136:R 15 (14) jump= -0.0108938 0.547032 0.608543 0.574729 34.3342 131 -192.161 # jumping subtree containing T0136:E 48 (47) jump= 0.736452 -0.667327 0.0152883 0.10991 7.80323 154.464 -66.7484 # jumping subtree containing T0136:G 42 (41) jump= 0.829481 0.504802 -0.205766 0.121641 -20.3281 -115.855 -65.1167 # jumping subtree containing T0136:F 65 (64) jump= -0.933012 -0.26021 -0.18364 -0.1675 32.7566 -61.3715 -22.3243 # jumping subtree containing T0136:N 5 (4) jump= -0.0471062 0.5332 0.537902 0.65126 59.494 138.492 -147.048 # jumping subtree containing T0136:E 48 (47) jump= -0.803563 0.536471 -0.234432 0.107368 65.0233 96.7655 -32.7834 # generation 96: best score out of 40: T0136.try1 60.3132 cost/residue, 96 clashes 0.0260499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 367 ## TwoFragment 7 ## CrossOver 163 ## CrossAndInsert 35 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 338 ## OptSubtree 1475 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= 0.976718 0.00512094 -0.208059 -0.0520406 -31.185 15.6806 -14.9733 # jumping subtree containing T0136:N 5 (4) jump= 0.428038 -0.343676 0.782142 -0.29483 86.4761 -38.2171 -149.907 # jumping subtree containing T0136:R 15 (14) jump= -0.711938 0.658016 -0.14097 -0.200715 7.81098 128.739 -144.208 # Removing break before 41 # jumping subtree containing T0136:F 65 (64) jump= 0.847345 0.52181 0.094622 0.0277207 47.5232 -119.427 -96.857 # Removing break before 41 # jumping subtree containing T0136:P 56 (55) jump= 0.985082 -0.114027 -0.0970326 0.0848276 0.843079 25.7792 -3.19427 # generation 97: best score out of 40: T0136.try1 60.2403 cost/residue, 89 clashes 0.0260499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 368 ## TwoFragment 7 ## CrossOver 165 ## CrossAndInsert 35 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 339 ## OptSubtree 1494 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 15 (14) jump= 0.788632 -0.359572 0.410164 -0.283783 95.4053 12.7941 -73.3765 # jumping subtree containing T0136:F 65 (64) jump= 0.874548 0.378766 0.127405 0.274719 63.0137 -63.0203 -66.1551 # jumping subtree containing T0136:I 26 (25) jump= -0.949966 0.0754237 0.260088 -0.155661 -69.8127 2.41028 12.2905 # jumping subtree containing T0136:E 48 (47) jump= -0.325881 0.588132 0.533067 0.513558 13.6758 160.011 -136.776 # jumping subtree containing T0136:E 48 (47) jump= -0.763375 -0.427399 0.448751 -0.18224 -98.5695 -125.19 -105.915 # jumping subtree containing T0136:R 15 (14) jump= 0.965513 -0.0249276 0.0629545 0.251398 3.30453 7.37215 -6.15192 # jumping subtree containing T0136:F 65 (64) jump= -0.736267 0.198724 0.390634 0.515581 -98.342 111.846 -22.8775 # jumping subtree containing T0136:R 15 (14) jump= 0.338309 -0.701531 -0.23516 0.581465 -141.979 50.4054 -167.662 # jumping subtree containing T0136:R 15 (14) jump= 0.754552 0.396539 -0.1855 0.488875 5.87566 -91.7518 -10.2564 # jumping subtree containing T0136:G 42 (41) jump= 0.972104 -0.217217 -0.0807446 -0.0362109 -14.9522 60.6455 0.541625 # jumping subtree containing T0136:F 65 (64) jump= -0.0192274 -0.244966 0.936531 -0.250062 -48.0927 -49.8212 -227.48 # jumping subtree containing T0136:Q 22 (21) jump= -0.211645 0.386486 -0.603854 0.664225 31.6937 -100.827 -100.029 # jumping subtree containing T0136:R 15 (14) jump= 0.739325 -0.406851 0.48834 -0.222251 106.179 8.83515 -126.005 # jumping subtree containing T0136:R 15 (14) jump= -0.99904 -0.0245772 0.0292782 -0.0213797 -10.6362 9.54143 -11.736 # jumping subtree containing T0136:R 15 (14) jump= -0.0754761 -0.743733 -0.548654 0.374357 -89.5641 -53.5974 -210.691 # jumping subtree containing T0136:G 42 (41) jump= -0.852022 -0.386692 0.341409 -0.0892605 -61.425 -86.7358 -117.201 # jumping subtree containing T0136:R 33 (32) jump= 0.537533 0.236471 0.78343 0.203415 124.835 19.2012 -201.734 # generation 98: best score out of 40: T0136.try1 60.2403 cost/residue, 89 clashes 0.0260499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 368 ## TwoFragment 7 ## CrossOver 166 ## CrossAndInsert 35 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 346 ## OptSubtree 1516 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 15 (14) jump= -0.233897 0.630607 0.308046 -0.672856 -141.019 5.65778 -163.305 # jumping subtree containing T0136:T 71 (70) jump= -0.855373 0.305324 0.300024 -0.291718 -99.699 78.2259 -33.8222 # jumping subtree containing T0136:F 65 (64) jump= -0.999443 0.0192826 -0.0196765 0.0188436 22.79 10.6793 0.124327 # jumping subtree containing T0136:E 61 (60) jump= -0.950267 -0.034203 -0.283747 -0.123734 52.6729 15.7176 -23.1209 # jumping subtree containing T0136:E 61 (60) jump= 0.712286 -0.335772 0.534949 -0.306162 100.531 -9.91787 -92.636 # Removing break before 41 # jumping subtree containing T0136:R 33 (32) jump= -0.403078 -0.23644 0.818645 -0.333833 -63.8657 -93.5087 -214.471 # jumping subtree containing T0136:G 42 (41) jump= 0.42049 -0.380589 -0.81962 0.0810115 -125.513 59.5396 -226.363 # jumping subtree containing T0136:F 65 (64) jump= -0.243432 0.968827 0.0148966 -0.0435026 -15.1599 91.4738 -231.427 # jumping subtree containing T0136:R 15 (14) jump= 0.994376 -0.0139657 -0.0993828 -0.0338154 -15.5272 5.63574 1.38446 # generation 99: best score out of 40: T0136.try1 60.2402 cost/residue, 89 clashes 0.0260497 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 368 ## TwoFragment 7 ## CrossOver 169 ## CrossAndInsert 35 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 354 ## OptSubtree 1540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.691667 -0.148511 -0.570487 -0.417236 -113.348 61.6006 -61.2805 # Removing break before 41 # jumping subtree containing T0136:E 61 (60) jump= -0.927584 0.171973 0.30623 -0.127421 -83.9585 12.7141 -25.7376 # jumping subtree containing T0136:V 35 (34) jump= 0.493736 -0.778534 -0.344032 -0.178191 -24.1649 113.162 -138.005 # jumping subtree containing T0136:E 61 (60) jump= 0.954699 0.0634316 -0.102433 0.27209 -15.6418 -27.7169 12.8493 # Removing break before 41 # jumping subtree containing T0136:N 4 (3) jump= 0.96106 -0.156558 -0.159982 -0.162045 -16.97 24.755 -19.2702 # jumping subtree containing T0136:E 61 (60) jump= 0.969801 -0.155658 -0.0222527 0.186446 -10.7626 75.3433 -11.2417 # Removing break before 41 # jumping subtree containing T0136:E 48 (47) jump= -0.858518 0.318588 -0.0046014 0.40178 9.63815 73.5054 -22.9779 # generation 100: best score out of 40: T0136.try1 60.2402 cost/residue, 89 clashes 0.02605 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 89 ## InsertFragment 368 ## TwoFragment 7 ## CrossOver 170 ## CrossAndInsert 35 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 356 ## OptSubtree 1565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1639239263.pdb -s /projects/compbio/tmp/to_scwrl_1639239263.seq -o /projects/compbio/tmp/from_scwrl_1639239263.pdb -a /projects/compbio/tmp/from_scwrl_1639239263_a.pdb -b /projects/compbio/tmp/from_scwrl_1639239263_b.pdb > /projects/compbio/tmp/scwrl_1639239263.log # T0136.try1-scwrl 60.1273 cost/residue 89 clashes 0.02605 breaks # iteration 9 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 70.7942 cost/residue, 96 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 18 ## TwoFragment 0 ## 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-al8 69.7352 cost/residue, 97 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 20 ## InsertFragment 27 ## TwoFragment 0 ## CrossOver 2 ## CrossAndInsert 3 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.332815 -0.507907 0.706065 0.364332 44.498 54.4748 9.58775 # generation 3: best score out of 40: T0136.try1-al4 69.195 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 25 ## InsertFragment 48 ## TwoFragment 0 ## CrossOver 2 ## CrossAndInsert 5 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 69.0816 cost/residue, 95 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 62 ## TwoFragment 1 ## CrossOver 3 ## CrossAndInsert 7 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.4595 cost/residue, 196 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 81 ## TwoFragment 1 ## CrossOver 4 ## CrossAndInsert 8 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.399139 0.912091 -0.040394 0.0845388 14.4562 20.9864 46.8411 # generation 6: best score out of 40: T0136.try1-al4 67.6422 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 38 ## InsertFragment 93 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 8 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.3925 cost/residue, 66 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 42 ## InsertFragment 112 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 8 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.5333 cost/residue, 103 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 45 ## InsertFragment 131 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 10 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.298 cost/residue, 90 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 47 ## InsertFragment 150 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 11 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.298 cost/residue, 90 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 50 ## InsertFragment 164 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 12 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.148 cost/residue, 90 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 52 ## InsertFragment 182 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 12 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.148 cost/residue, 90 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 197 ## TwoFragment 5 ## CrossOver 4 ## CrossAndInsert 13 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.7348 cost/residue, 104 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 57 ## InsertFragment 214 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 15 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.5263 cost/residue, 90 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 60 ## InsertFragment 230 ## TwoFragment 6 ## CrossOver 6 ## CrossAndInsert 16 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.5263 cost/residue, 90 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 249 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 16 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.2667 cost/residue, 95 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 267 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 18 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 9 ## OptSubtree 14 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.9666 cost/residue, 109 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 63 ## InsertFragment 281 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 19 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 11 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.523 cost/residue, 114 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 296 ## TwoFragment 6 ## CrossOver 9 ## CrossAndInsert 19 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 14 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # Removing break before 20 # generation 19: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.523 cost/residue, 114 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 304 ## TwoFragment 6 ## CrossOver 11 ## CrossAndInsert 19 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 18 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # generation 20: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.0791 cost/residue, 111 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 316 ## TwoFragment 6 ## CrossOver 12 ## CrossAndInsert 19 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 21 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # Removing break before 37 # generation 21: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.9679 cost/residue, 95 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 327 ## TwoFragment 6 ## CrossOver 13 ## CrossAndInsert 20 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 24 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # generation 22: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5823 cost/residue, 109 clashes 0.0188848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 335 ## TwoFragment 7 ## CrossOver 16 ## CrossAndInsert 21 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 28 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.4508 cost/residue, 105 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 346 ## TwoFragment 7 ## CrossOver 16 ## CrossAndInsert 23 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 32 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 24 (23) jump= 0.942496 -0.136482 -0.253307 -0.17003 -34.6745 3.52564 6.1301 # jumping subtree containing T0136:A 78 (77) jump= -0.0298752 -0.94166 0.236445 0.237652 -7.52987 -3.74516 -63.4922 # Removing break before 43 # generation 24: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1396 cost/residue, 146 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 355 ## TwoFragment 7 ## CrossOver 19 ## CrossAndInsert 24 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 34 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.651644 0.0175153 -0.467483 -0.597086 13.6969 0.268556 12.6447 # Removing break before 49 # generation 25: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1396 cost/residue, 146 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 365 ## TwoFragment 7 ## CrossOver 20 ## CrossAndInsert 25 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 39 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 26: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.8615 cost/residue, 157 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 374 ## TwoFragment 7 ## CrossOver 21 ## CrossAndInsert 25 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 42 ## OptSubtree 61 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 61 # Removing break before 20 # Removing break before 25 # jumping subtree containing T0136:P 56 (55) jump= 0.999497 -0.00928352 -0.0298809 -0.00523133 10.9535 -23.7168 13.8989 # generation 27: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7928 cost/residue, 152 clashes 0.0202541 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 383 ## TwoFragment 7 ## CrossOver 23 ## CrossAndInsert 26 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 47 ## OptSubtree 65 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 61 # Removing break before 61 # jumping subtree containing T0136:A 1 (0) jump= 0.0725892 -0.970188 0.22298 -0.0611985 -9.31224 -3.04006 51.914 # generation 28: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.466 cost/residue, 206 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 387 ## TwoFragment 7 ## CrossOver 26 ## CrossAndInsert 27 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 55 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:D 55 (54) jump= -0.806116 0.129297 0.527216 0.23559 -2.30038 -7.78067 -25.4505 # Removing break before 61 # jumping subtree containing T0136:A 1 (0) jump= -0.975906 0.195075 -0.0869529 0.0446314 10.1976 -12.7547 -19.6339 # generation 29: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.3739 cost/residue, 149 clashes 0.0307252 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 395 ## TwoFragment 7 ## CrossOver 27 ## CrossAndInsert 28 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 58 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.405893 0.0138969 0.712965 -0.571611 -29.5051 2.28679 10.2724 # jumping subtree containing T0136:V 62 (61) jump= 0.76287 -0.309761 -0.52678 -0.211141 1.84409 -8.15136 -2.98794 # jumping subtree containing T0136:A 1 (0) jump= -0.115532 -0.27047 -0.911181 -0.288526 -30.2846 -16.8454 25.7719 # Removing break before 41 # jumping subtree containing T0136:A 46 (45) jump= 0.701761 -0.11408 -0.367105 -0.599793 10.0034 6.18904 -20.143 # jumping subtree containing T0136:F 73 (72) jump= -0.560215 0.39838 -0.46912 0.554417 -8.27327 11.1911 -13.061 # generation 30: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0406 cost/residue, 149 clashes 0.0307252 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 399 ## TwoFragment 7 ## CrossOver 28 ## CrossAndInsert 28 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 63 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 31: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8647 cost/residue, 161 clashes 0.0104711 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 402 ## TwoFragment 7 ## CrossOver 29 ## CrossAndInsert 31 ## ReduceClash 40 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 73 ## OptSubtree 107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # generation 32: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7675 cost/residue, 157 clashes 0.0104711 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 408 ## TwoFragment 7 ## CrossOver 32 ## CrossAndInsert 31 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 79 ## OptSubtree 115 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # generation 33: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7675 cost/residue, 157 clashes 0.0104711 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 409 ## TwoFragment 7 ## CrossOver 33 ## CrossAndInsert 31 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 84 ## OptSubtree 132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # Removing break before 66 # generation 34: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.2574 cost/residue, 121 clashes 0.0104711 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 412 ## TwoFragment 7 ## CrossOver 35 ## CrossAndInsert 31 ## ReduceClash 41 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 94 ## OptSubtree 142 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.418452 0.452082 0.0316136 -0.787096 -22.6989 -49.9991 -14.8569 # Removing break before 66 # jumping subtree containing T0136:K 67 (66) jump= 0.792364 0.0657114 -0.276227 0.539944 -58.543 8.09038 1.88829 # generation 35: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.2574 cost/residue, 121 clashes 0.0104711 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 414 ## TwoFragment 7 ## CrossOver 35 ## CrossAndInsert 31 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 100 ## OptSubtree 157 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.72525 -0.148095 -0.666691 0.0871994 -42.6585 28.3652 -16.3639 # jumping subtree containing T0136:N 3 (2) jump= 0.908291 0.0418736 0.284103 0.304203 11.0029 15.2188 -0.345151 # jumping subtree containing T0136:G 29 (28) jump= 0.953389 0.0714379 0.237013 -0.172544 -1.59758 4.51787 -12.5487 # generation 36: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9807 cost/residue, 121 clashes 0.0615871 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 418 ## TwoFragment 7 ## CrossOver 35 ## CrossAndInsert 31 ## ReduceClash 42 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 12 ## JiggleSubtree 107 ## OptSubtree 170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.982045 0.121449 -0.140792 0.03187 23.1078 -10.2754 -5.55456 # jumping subtree containing T0136:K 67 (66) jump= -0.812278 -0.129345 0.340714 0.455398 -12.9427 -7.96934 -24.7385 # jumping subtree containing T0136:G 29 (28) jump= -0.0728686 0.790837 -0.606348 0.0401024 -19.1948 -61.2208 -63.0925 # jumping subtree containing T0136:V 62 (61) jump= -0.439878 -0.692372 0.193691 0.538157 -50.9975 -4.88023 -32.5206 # generation 37: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9807 cost/residue, 121 clashes 0.0615871 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 418 ## TwoFragment 7 ## CrossOver 36 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 115 ## OptSubtree 184 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:V 80 (79) jump= -0.887644 -0.0716254 -0.443931 0.0994149 29.1241 -32.1103 -4.44342 # Removing break before 66 # Removing break before 66 # jumping subtree containing T0136:K 67 (66) jump= 0.237193 -0.429607 0.760612 -0.425025 5.4642 -35.8029 -55.1934 # generation 38: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9807 cost/residue, 121 clashes 0.0615872 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 421 ## TwoFragment 7 ## CrossOver 39 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 118 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # generation 39: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5647 cost/residue, 150 clashes 0.0615871 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 422 ## TwoFragment 7 ## CrossOver 39 ## CrossAndInsert 32 ## ReduceClash 43 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 128 ## OptSubtree 213 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.942261 -0.165549 -0.251161 0.147159 14.0132 1.4634 -25.9977 # jumping subtree containing T0136:R 33 (32) jump= 0.620632 0.278945 -0.727664 -0.0866617 -40.6016 -7.34531 -29.0364 # jumping subtree containing T0136:K 67 (66) jump= 0.981181 -0.128428 -0.134288 -0.0525065 0.572558 -8.62155 -7.73739 # jumping subtree containing T0136:R 47 (46) jump= -0.386832 -0.48919 -0.0470359 0.780283 -30.5823 -3.19233 -15.9872 # generation 40: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5647 cost/residue, 150 clashes 0.0615871 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 423 ## TwoFragment 7 ## CrossOver 40 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 135 ## OptSubtree 226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.88977 0.183923 -0.407417 -0.0921637 -38.1283 -4.33854 -35.9832 # jumping subtree containing T0136:E 36 (35) jump= 0.873218 0.100106 -0.28702 -0.380906 -18.4231 16.8042 3.67281 # jumping subtree containing T0136:K 67 (66) jump= 0.623239 -0.0740885 0.115441 0.769907 -10.9923 -26.713 -2.30635 # jumping subtree containing T0136:A 1 (0) jump= -0.752001 0.614388 0.212729 0.108485 -6.56737 31.7628 -52.9359 # jumping subtree containing T0136:K 7 (6) jump= 0.655014 0.398606 -0.538579 0.349289 -24.1841 -27.9234 -51.9069 # generation 41: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5343 cost/residue, 148 clashes 0.0775645 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 427 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 144 ## OptSubtree 240 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= -0.675379 -0.239827 -0.4194 -0.557181 6.50352 9.05405 -27.951 # Removing break moved up 3 to before 23 # jumping subtree containing T0136:D 55 (54) jump= 0.12307 -0.977395 0.169236 -0.0301937 10.6034 -18.862 -62.5409 # jumping subtree containing T0136:R 34 (33) jump= 0.471707 0.745156 0.127767 -0.453773 6.89618 -13.2031 -29.7245 # generation 42: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.2062 cost/residue, 155 clashes 0.0686837 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 428 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 151 ## OptSubtree 254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.447861 0.0659278 -0.272085 0.849143 -4.86026 -44.0826 -31.5472 # jumping subtree containing T0136:R 34 (33) jump= 0.470912 0.147837 -0.828188 -0.265503 -16.2322 1.11499 -50.1253 # jumping subtree containing T0136:D 55 (54) jump= -0.858048 -0.334052 0.390079 -0.000585579 -51.5538 -23.9376 -41.2245 # jumping subtree containing T0136:D 55 (54) jump= 0.773041 -0.54021 0.188232 0.274134 -31.7402 19.7138 -9.60672 # generation 43: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.2062 cost/residue, 155 clashes 0.0686837 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 428 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 44 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 162 ## OptSubtree 271 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= 0.972564 0.0136629 0.0566525 0.225217 18.3007 -26.5599 5.27113 # jumping subtree containing T0136:D 55 (54) jump= -0.878217 0.0516066 0.192603 0.434713 -26.6749 -19.7832 -12.3879 # jumping subtree containing T0136:A 1 (0) jump= -0.594793 0.186629 0.330659 -0.708559 -35.3235 -20.6653 -4.3537 # jumping subtree containing T0136:K 67 (66) jump= 0.264861 0.100937 0.520836 0.805227 -26.1391 52.5712 -50.8173 # jumping subtree containing T0136:V 80 (79) jump= 0.679365 -0.729412 0.057048 0.056267 1.01319 63.5977 -81.7092 # generation 44: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.2062 cost/residue, 155 clashes 0.0686837 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 429 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 173 ## OptSubtree 287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= 0.890216 -0.340122 -0.101876 0.2854 -26.6813 4.69658 -39.1914 # jumping subtree containing T0136:V 80 (79) jump= 0.165564 -0.18253 0.189722 0.950409 -17.4679 13.6827 -8.46043 # generation 45: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.8099 cost/residue, 152 clashes 0.0875071 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 431 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 183 ## OptSubtree 298 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.352792 0.672971 0.547791 0.350104 0.900553 74.7403 -104.303 # jumping subtree containing T0136:R 34 (33) jump= -0.622673 -0.64043 -0.35353 0.277749 38.3199 -79.6738 -60.7364 # generation 46: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.8099 cost/residue, 152 clashes 0.0875071 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 432 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 24 ## JiggleSubtree 193 ## OptSubtree 310 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:R 34 (33) jump= 0.102222 -0.719631 -0.636 -0.259203 22.4707 -11.5779 -83.1932 # jumping subtree containing T0136:R 34 (33) jump= 0.484136 -0.543207 -0.226032 -0.647648 23.4496 83.3567 -22.8116 # jumping subtree containing T0136:R 34 (33) jump= -0.992139 -0.0396393 0.0740933 -0.0927306 -3.97529 -2.93567 -28.2112 # jumping subtree containing T0136:E 48 (47) jump= 0.801116 -0.0676566 -0.523466 -0.28217 -85.187 47.3418 -6.43671 # generation 47: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7738 cost/residue, 152 clashes 0.0875071 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 433 ## TwoFragment 7 ## CrossOver 41 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 28 ## JiggleSubtree 204 ## OptSubtree 325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.669427 -0.00994353 0.0985708 -0.736242 -29.7789 -1.0768 26.7581 # jumping subtree containing T0136:D 55 (54) jump= 0.991429 -0.0166476 -0.124672 -0.0353282 -41.1195 17.3494 -5.68818 # jumping subtree containing T0136:A 1 (0) jump= -0.308777 0.810009 0.406332 0.288854 22.7785 33.2488 -121.378 # jumping subtree containing T0136:V 80 (79) jump= 0.649891 0.140464 -0.729972 -0.158281 -99.4175 -38.6419 -30.6875 # jumping subtree containing T0136:V 80 (79) jump= 0.846362 0.507933 0.155791 -0.0374814 8.23242 -36.6886 -29.9621 # jumping subtree containing T0136:V 80 (79) jump= 0.994288 -0.0264076 -0.0968541 0.0362385 3.37865 19.705 11.1139 # jumping subtree containing T0136:V 80 (79) jump= -0.821057 0.357048 -0.0127115 -0.44522 -23.3785 50.9759 -47.8655 # generation 48: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7738 cost/residue, 152 clashes 0.0875071 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 433 ## TwoFragment 7 ## CrossOver 42 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 209 ## OptSubtree 342 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.579822 -0.605678 0.442216 -0.318442 45.429 -17.3592 -50.9294 # jumping subtree containing T0136:E 27 (26) jump= -0.856618 0.190711 0.129638 0.46155 7.43769 -11.0493 13.9563 # jumping subtree containing T0136:V 80 (79) jump= -0.778782 0.43066 -0.145073 -0.432417 -21.6481 83.8759 -46.5556 # jumping subtree containing T0136:V 80 (79) jump= 0.785598 -0.582996 0.206838 -0.0130241 41.482 53.644 -86.2366 # jumping subtree containing T0136:D 55 (54) jump= -0.0887659 -0.864842 0.415636 -0.267238 -1.06598 -37.4332 -113.262 # generation 49: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7738 cost/residue, 152 clashes 0.0875072 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 434 ## TwoFragment 7 ## CrossOver 43 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 32 ## JiggleSubtree 217 ## OptSubtree 353 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:V 80 (79) jump= 0.669637 -0.27944 0.35775 -0.587804 51.1554 -18.7199 -32.9624 # generation 50: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7547 cost/residue, 151 clashes 0.0875072 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 435 ## TwoFragment 7 ## CrossOver 44 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 232 ## OptSubtree 369 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= 0.859296 0.479801 0.177184 -0.0028069 14.3679 -64.9219 -57.9181 # jumping subtree containing T0136:R 34 (33) jump= 0.237418 0.778028 -0.579671 0.0478208 -68.1654 -59.7093 -90.0045 # jumping subtree containing T0136:V 80 (79) jump= 0.452157 -0.0401174 -0.0437009 -0.889963 -41.1356 -35.9627 19.4542 # generation 51: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7547 cost/residue, 151 clashes 0.0875072 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 435 ## TwoFragment 7 ## CrossOver 44 ## CrossAndInsert 32 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 34 ## JiggleSubtree 238 ## OptSubtree 386 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.412796 -0.495924 0.481444 0.593187 -55.8746 15.8616 -74.0688 # jumping subtree containing T0136:V 80 (79) jump= 0.33859 0.658683 -0.210975 -0.637952 -96.9148 -22.398 -75.7119 # jumping subtree containing T0136:T 45 (44) jump= -0.968704 0.123484 -0.0488888 0.209701 33.6356 23.7526 -9.81069 # generation 52: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7413 cost/residue, 151 clashes 0.0858701 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 436 ## TwoFragment 7 ## CrossOver 44 ## CrossAndInsert 32 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 250 ## OptSubtree 403 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.88451 0.181438 0.408357 -0.134039 -55.2287 24.9209 -18.4696 # jumping subtree containing T0136:T 45 (44) jump= -0.879336 0.168438 0.101798 -0.433628 -50.9108 39.1649 -12.3058 # jumping subtree containing T0136:V 80 (79) jump= 0.31039 0.495419 0.271837 0.76441 -21.012 17.4341 -2.01168 # jumping subtree containing T0136:T 45 (44) jump= -0.311376 0.676391 0.66428 -0.0653614 -22.3547 -0.394855 -119.932 # jumping subtree containing T0136:A 1 (0) jump= -0.918736 0.0981651 -0.130161 -0.359648 -3.39109 41.4378 -16.2477 # generation 53: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7413 cost/residue, 151 clashes 0.0858702 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 437 ## TwoFragment 7 ## CrossOver 45 ## CrossAndInsert 32 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 259 ## OptSubtree 417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.976855 -0.12441 0.00915219 -0.173761 -13.1113 -28.361 10.3492 # Removing break before 66 # jumping subtree containing T0136:V 80 (79) jump= -0.0143358 0.381862 0.151315 0.911636 -1.4243 -11.2325 5.53358 # jumping subtree containing T0136:R 15 (14) jump= 0.910887 0.347856 -0.170022 0.142732 -23.2976 -64.025 27.8378 # jumping subtree containing T0136:V 80 (79) jump= 0.647899 -0.0629353 -0.674875 -0.347577 -116.013 14.7719 -34.7428 # jumping subtree containing T0136:D 55 (54) jump= -0.569711 -0.678233 0.377808 -0.269611 -58.6281 -70.4608 15.5322 # jumping subtree containing T0136:V 80 (79) jump= 0.738114 -0.200405 0.269382 0.5852 -13.1752 86.6602 -28.2342 # generation 54: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7413 cost/residue, 151 clashes 0.0858703 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 437 ## TwoFragment 7 ## CrossOver 45 ## CrossAndInsert 32 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 37 ## JiggleSubtree 270 ## OptSubtree 438 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.423301 0.40802 0.596057 0.546857 -11.5299 81.3448 -64.1721 # jumping subtree containing T0136:R 47 (46) jump= -0.515275 -0.527557 0.0619351 0.672562 -46.0882 -90.8878 -43.2336 # jumping subtree containing T0136:D 55 (54) jump= 0.240011 -0.0758204 0.967434 0.0268066 -25.8799 -24.109 -127.305 # jumping subtree containing T0136:T 45 (44) jump= 0.827021 -0.371197 0.421794 0.0184283 35.5962 8.80866 -59.2896 # generation 55: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.7413 cost/residue, 151 clashes 0.0858702 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 437 ## TwoFragment 7 ## CrossOver 46 ## CrossAndInsert 32 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 39 ## JiggleSubtree 272 ## OptSubtree 457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.674719 0.417189 -0.118536 0.597208 39.328 -23.5736 -48.6928 # jumping subtree containing T0136:D 55 (54) jump= -0.871214 0.161789 0.151999 -0.437843 -41.7165 16.932 2.90303 # jumping subtree containing T0136:T 45 (44) jump= -0.682254 0.381819 0.0140201 -0.623336 -76.9404 41.2661 -38.9813 # generation 56: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.6382 cost/residue, 150 clashes 0.0809723 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 437 ## TwoFragment 7 ## CrossOver 47 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 277 ## OptSubtree 471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 48 (47) jump= -0.998929 -0.0447312 0.0110292 0.00419973 -16.1458 -1.94065 -22.1272 # jumping subtree containing T0136:V 80 (79) jump= -0.105739 0.326321 0.662762 0.665642 3.93852 10.6291 -52.4515 # jumping subtree containing T0136:V 80 (79) jump= -0.496225 0.612152 -0.0541925 0.613265 78.4306 6.06605 -65.0155 # jumping subtree containing T0136:V 80 (79) jump= -0.433862 0.580157 -0.655823 0.212315 -9.86357 -51.1996 -91.1175 # jumping subtree containing T0136:T 45 (44) jump= -0.100222 0.946481 0.274558 0.136921 25.8387 1.10886 -146.3 # jumping subtree containing T0136:N 52 (51) jump= 0.993718 0.098407 -0.0355399 0.0397109 4.69923 -8.86026 -1.36794 # jumping subtree containing T0136:V 80 (79) jump= 0.995365 0.0643692 -0.0708819 0.00893966 -15.7444 -7.43867 20.032 # generation 57: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.4788 cost/residue, 151 clashes 0.0701312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 438 ## TwoFragment 7 ## CrossOver 48 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 44 ## JiggleSubtree 281 ## OptSubtree 487 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 33 # jumping subtree containing T0136:G 30 (29) jump= 0.947458 -0.303297 0.0638624 0.079092 -26.6025 42.9989 -23.7738 # generation 58: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.4788 cost/residue, 151 clashes 0.0701312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 439 ## TwoFragment 7 ## CrossOver 49 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 291 ## OptSubtree 505 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= 0.574796 -0.75596 0.280147 -0.140187 23.8227 57.887 -97.7419 # Removing break before 66 # jumping subtree containing T0136:D 55 (54) jump= -0.73101 0.459319 0.494195 0.102084 -59.9379 71.5786 -41.5325 # jumping subtree containing T0136:R 34 (33) jump= 0.232661 -0.197367 0.826637 -0.472848 -7.83223 -48.6541 -134.524 # Removing break before 33 # generation 59: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.4788 cost/residue, 151 clashes 0.0701308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 439 ## TwoFragment 7 ## CrossOver 50 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 306 ## OptSubtree 522 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 33 # Removing break before 33 # Removing break before 33 # jumping subtree containing T0136:D 55 (54) jump= 0.944811 0.156642 -0.178911 0.225357 -39.1942 -5.53704 7.14081 # Removing break before 33 # jumping subtree containing T0136:T 45 (44) jump= 0.172607 0.190802 0.38874 -0.884694 -60.5104 -76.6536 -32.6535 # jumping subtree containing T0136:D 55 (54) jump= -0.54754 0.578176 0.420267 -0.435073 -60.6432 13.4164 -82.2528 # Removing break before 33 # jumping subtree containing T0136:D 55 (54) jump= -0.737267 -0.670557 0.0768171 0.0298416 -27.5173 -78.5208 -27.8927 # jumping subtree containing T0136:D 55 (54) jump= -0.907189 0.290329 0.281848 0.11523 -18.0368 8.75336 -16.7083 # jumping subtree containing T0136:T 45 (44) jump= 0.244441 0.837941 0.485733 -0.046537 -11.6884 -6.28973 -145.221 # jumping subtree containing T0136:V 80 (79) jump= -0.56575 -0.490863 -0.628799 0.208785 5.2269 -34.5488 -165.745 # generation 60: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.4787 cost/residue, 151 clashes 0.0701307 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 439 ## TwoFragment 7 ## CrossOver 52 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 311 ## OptSubtree 540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 33 # Removing break before 33 # jumping subtree containing T0136:T 45 (44) jump= 0.785958 -0.276692 0.400935 -0.380739 51.9012 -29.9326 -65.9624 # jumping subtree containing T0136:A 1 (0) jump= -0.253939 -0.513949 0.222405 -0.788611 -22.2117 -72.3862 -0.64905 # jumping subtree containing T0136:R 34 (33) jump= -0.993703 -0.0952282 -0.0438967 0.0394733 -5.4385 -17.6579 -2.06916 # Removing break before 33 # Removing break before 33 # jumping subtree containing T0136:L 8 (7) jump= 0.93646 -0.339318 -0.0807622 0.0371992 -15.0796 57.2282 -21.1515 # jumping subtree containing T0136:V 80 (79) jump= -0.176466 -0.542368 0.0270645 0.820954 -158.013 -16.7277 -113.228 # generation 61: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.3893 cost/residue, 151 clashes 0.0787601 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 440 ## TwoFragment 7 ## CrossOver 56 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 317 ## OptSubtree 553 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 33 # jumping subtree containing T0136:G 30 (29) jump= -0.780068 0.17189 0.484641 -0.356471 -106.112 46.4884 20.7584 # Removing break before 33 # jumping subtree containing T0136:T 45 (44) jump= 0.0305566 0.257796 -0.934491 0.243585 -17.9693 -29.7987 -137.369 # jumping subtree containing T0136:D 55 (54) jump= -0.713118 0.0957784 0.299975 0.626342 -87.576 -4.55468 4.34421 # Removing break before 33 # jumping subtree containing T0136:K 67 (66) jump= -0.999487 -0.0163355 -0.0202221 0.0187004 23.4832 -9.94506 -11.5005 # jumping subtree containing T0136:V 80 (79) jump= -0.987529 0.0141966 -0.11557 0.105963 -7.03828 -9.77598 -0.219395 # jumping subtree containing T0136:N 52 (51) jump= 0.287466 0.326482 -0.882042 0.18104 -81.4018 -54.1205 -87.8455 # jumping subtree containing T0136:V 80 (79) jump= -0.864721 0.277327 -0.260763 0.327644 23.3635 3.74987 -49.6686 # jumping subtree containing T0136:N 52 (51) jump= -0.994074 -0.063226 -0.0636616 -0.0613776 21.3726 22.8108 -5.55371 # jumping subtree containing T0136:N 52 (51) jump= -0.181067 0.336025 0.393394 0.836387 -34.4419 48.475 -6.67019 # jumping subtree containing T0136:L 8 (7) jump= -0.849347 0.0807194 0.393754 -0.342129 -53.34 -16.8233 -18.5046 # Removing break before 66 # jumping subtree containing T0136:N 52 (51) jump= -0.972798 0.22824 0.03277 0.0222951 -0.266483 45.0577 7.25078 # generation 62: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.3893 cost/residue, 151 clashes 0.0787602 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 440 ## TwoFragment 7 ## CrossOver 56 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 321 ## OptSubtree 573 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= -0.455904 -0.460782 -0.193737 -0.736409 45.9403 4.81049 -49.8755 # jumping subtree containing T0136:R 34 (33) jump= -0.0101706 -0.215475 -0.952109 -0.216695 -85.0134 35.0193 -125.67 # Removing break before 33 # Removing break before 33 # Removing break before 33 # jumping subtree containing T0136:K 67 (66) jump= -0.50075 -0.501427 -0.542582 0.451028 -65.0042 -58.4098 -136.422 # jumping subtree containing T0136:A 9 (8) jump= 0.559364 0.212211 -0.793174 -0.113812 -135.503 -44.8008 -42.4464 # Removing break before 33 # generation 63: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.2196 cost/residue, 151 clashes 0.0580947 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 441 ## TwoFragment 7 ## CrossOver 58 ## CrossAndInsert 32 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 333 ## OptSubtree 592 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 33 # jumping subtree containing T0136:A 20 (19) jump= -0.340773 -0.520869 -0.289232 -0.727265 -0.860152 1.08281 -20.1243 # Removing break before 33 # Removing break before 66 # jumping subtree containing T0136:T 45 (44) jump= 0.99921 0.01569 0.0152294 -0.0331767 26.7903 -17.6635 -14.4568 # Removing break before 33 # Removing break before 33 # jumping subtree containing T0136:T 45 (44) jump= -0.0558772 0.792682 0.33947 -0.503283 -114.28 -9.39592 -159.229 # Removing break before 33 # jumping subtree containing T0136:A 1 (0) jump= 0.63355 -0.463742 -0.606415 -0.125774 -72.2723 64.021 -77.7303 # jumping subtree containing T0136:R 34 (33) jump= -0.83566 0.413837 0.357142 -0.0534988 -52.2406 50.9526 -33.2403 # jumping subtree containing T0136:N 52 (51) jump= 0.456565 0.655701 0.00430161 0.601321 20.7922 8.8774 9.34045 # generation 64: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.2196 cost/residue, 151 clashes 0.0580945 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 442 ## TwoFragment 7 ## CrossOver 58 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 342 ## OptSubtree 608 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.4718 -0.424935 -0.648062 -0.420536 -0.252823 39.2282 -64.6952 # jumping subtree containing T0136:V 80 (79) jump= -0.998758 0.0105756 0.0387058 -0.0295376 -2.42924 10.4324 -16.5753 # Removing break before 33 # jumping subtree containing T0136:R 34 (33) jump= 0.279327 0.733226 -0.100179 -0.611818 -73.8469 -23.5434 -81.5243 # jumping subtree containing T0136:D 55 (54) jump= 0.709404 0.0924241 0.155156 -0.681271 -35.2108 -87.7479 -6.94412 # jumping subtree containing T0136:T 45 (44) jump= 0.872913 -0.279667 0.206433 -0.342337 62.988 25.1663 -31.3133 # Removing break before 33 # generation 65: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.1995 cost/residue, 151 clashes 0.0705416 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 443 ## TwoFragment 7 ## CrossOver 59 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 353 ## OptSubtree 628 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.695266 -0.134414 0.633534 -0.311724 54.8473 -29.5117 -88.2805 # jumping subtree containing T0136:V 80 (79) jump= 0.380733 -0.614018 -0.508224 -0.468756 7.78349 64.5405 -64.8873 # jumping subtree containing T0136:V 80 (79) jump= 0.198349 0.45616 0.082914 0.86354 24.5253 5.05187 -11.7779 # Removing break before 66 # jumping subtree containing T0136:I 26 (25) jump= -0.996503 -0.00829941 -0.0709437 0.0433509 28.2595 -14.7378 -23.3818 # generation 66: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.1889 cost/residue, 152 clashes 0.0705416 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 59 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 364 ## OptSubtree 643 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # jumping subtree containing T0136:K 77 (76) jump= -0.683403 0.18809 -0.585313 0.393689 29.5957 -35.9214 -80.1558 # Removing break before 66 # jumping subtree containing T0136:N 52 (51) jump= -0.957981 0.23982 -0.157338 0.00169601 10.6526 19.9813 0.503674 # jumping subtree containing T0136:V 80 (79) jump= -0.0056512 -0.216872 0.976184 -0.000393725 -34.9957 -21.6743 -139.536 # jumping subtree containing T0136:V 80 (79) jump= 0.999928 0.00766458 0.00915888 -0.000867817 -3.51105 -25.855 3.80163 # jumping subtree containing T0136:V 80 (79) jump= -0.864647 0.234031 -0.305649 -0.32279 -0.0898857 34.7854 -25.1711 # jumping subtree containing T0136:L 8 (7) jump= 0.982729 -0.1441 0.092006 0.0708137 -15.3224 29.8607 -14.7849 # jumping subtree containing T0136:V 80 (79) jump= -0.872722 0.387347 -0.293173 0.0486685 42.3533 20.5882 -50.0406 # jumping subtree containing T0136:A 1 (0) jump= -0.357529 0.38689 -0.820695 -0.221242 -17.4579 4.90368 -133.565 # generation 67: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.1889 cost/residue, 152 clashes 0.0705416 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 60 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 380 ## OptSubtree 659 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # jumping subtree containing T0136:L 8 (7) jump= 0.814696 0.0423823 -0.371427 0.443301 -50.2146 17.9913 -11.2761 # Removing break before 34 # jumping subtree containing T0136:K 67 (66) jump= 0.718798 -0.334607 -0.330459 0.51202 -82.8368 30.0384 -48.4943 # jumping subtree containing T0136:N 52 (51) jump= -0.816146 0.516522 -0.24367 0.0879535 34.9891 53.0644 -54.9725 # Removing break before 34 # Removing break before 34 # jumping subtree containing T0136:T 70 (69) jump= -0.191912 -0.295326 -0.892658 -0.281272 -35.1614 42.0029 -177.992 # Removing break before 34 # Removing break before 34 # jumping subtree containing T0136:D 55 (54) jump= -0.520264 0.776369 0.29555 0.198057 -9.42745 95.023 -76.1981 # jumping subtree containing T0136:A 1 (0) jump= -0.998306 -0.0123923 -0.0267173 -0.0501722 8.10266 1.30089 -6.5138 # jumping subtree containing T0136:V 35 (34) jump= -0.987944 0.126973 -0.0257737 0.0847413 16.3253 22.6747 3.70547 # Removing break before 66 # jumping subtree containing T0136:K 67 (66) jump= -0.253005 0.687177 -0.679614 -0.0436047 -11.4275 -36.5484 -133.475 # jumping subtree containing T0136:T 45 (44) jump= -0.990675 -0.124711 -0.0505272 -0.0213757 -5.0531 -38.0344 -8.779 # generation 68: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.1889 cost/residue, 152 clashes 0.0705417 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 60 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 392 ## OptSubtree 679 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.978242 0.13796 0.0854263 -0.129274 -44.8556 48.5277 8.54783 # Removing break before 66 # Removing break before 34 # jumping subtree containing T0136:K 67 (66) jump= 0.660252 -0.0357561 0.365874 -0.654924 25.5089 -90.5067 -52.1472 # Removing break before 34 # Removing break before 34 # Removing break before 34 # Removing break before 34 # Removing break before 34 # Removing break before 34 # generation 69: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 59.1889 cost/residue, 152 clashes 0.070542 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 447 ## TwoFragment 7 ## CrossOver 61 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 401 ## OptSubtree 693 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.150809 -0.0971896 -0.500695 0.846827 -110.848 -85.1461 -96.263 # Removing break before 34 # Removing break before 66 # jumping subtree containing T0136:K 67 (66) jump= -0.98651 -0.112209 -0.0454036 -0.110204 24.1099 -10.3267 12.4925 # Removing break before 34 # generation 70: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 58.8702 cost/residue, 164 clashes 0.0347536 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 449 ## TwoFragment 7 ## CrossOver 62 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 406 ## OptSubtree 709 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # jumping subtree containing T0136:N 52 (51) jump= 0.925889 -0.233199 -0.229661 0.188689 -39.1655 34.4142 15.0748 # jumping subtree containing T0136:K 67 (66) jump= 0.367288 -0.00153227 0.884724 0.286985 15.6301 49.7587 -170.278 # Removing break before 34 # jumping subtree containing T0136:K 67 (66) jump= -0.377725 0.33848 -0.306378 0.805535 -15.2822 -36.7528 -13.5969 # jumping subtree containing T0136:K 67 (66) jump= 0.995393 -0.017822 -0.000668138 0.0942004 -24.1622 1.40105 -15.58 # jumping subtree containing T0136:A 1 (0) jump= 0.744604 0.372235 0.463205 -0.304053 29.755 -41.8992 -90.4655 # jumping subtree containing T0136:E 13 (12) jump= 0.615714 0.482285 -0.0339993 0.622207 -10.9661 32.5205 -5.07417 # jumping subtree containing T0136:K 67 (66) jump= -0.944617 -0.173311 -0.162532 0.226377 26.9411 -34.969 -38.5548 # Removing break before 34 # jumping subtree containing T0136:K 67 (66) jump= 0.883763 0.121493 0.123748 0.434613 15.1157 19.6599 5.99779 # jumping subtree containing T0136:K 67 (66) jump= -0.368721 0.721678 0.0663033 -0.582091 -116.836 68.1493 -97.3246 # jumping subtree containing T0136:K 67 (66) jump= -0.972853 0.151472 -0.0145379 -0.174362 -13.6875 31.1441 5.0338 # generation 71: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 58.8702 cost/residue, 164 clashes 0.0347536 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 449 ## TwoFragment 7 ## CrossOver 63 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 421 ## OptSubtree 720 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 34 # Removing break before 34 # jumping subtree containing T0136:T 45 (44) jump= 0.264557 0.3035 0.0993196 0.909963 -18.7468 22.9754 7.24226 # jumping subtree containing T0136:D 55 (54) jump= -0.310873 -0.200717 -0.055133 0.927379 -116.037 -39.3714 -28.0109 # jumping subtree containing T0136:L 8 (7) jump= -0.24393 -0.803698 0.232554 -0.490394 29.2422 -52.7657 -74.2827 # generation 72: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 58.778 cost/residue, 137 clashes 0.0347536 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 449 ## TwoFragment 8 ## CrossOver 63 ## CrossAndInsert 32 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 434 ## OptSubtree 738 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:T 45 (44) jump= 0.803475 0.152788 0.569939 -0.0790793 39.7025 -45.8306 -94.1069 # jumping subtree containing T0136:A 1 (0) jump= -0.93661 -0.0209537 0.0307316 0.348393 -31.1832 -22.8396 14.6706 # jumping subtree containing T0136:D 55 (54) jump= 0.651463 0.0612626 -0.0649171 -0.753411 -76.2746 -32.8387 14.2377 # jumping subtree containing T0136:L 8 (7) jump= -0.428465 -0.52694 -0.61367 -0.402693 44.3592 47.0081 -102.344 # generation 73: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 58.6337 cost/residue, 168 clashes 0.0347536 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 453 ## TwoFragment 8 ## CrossOver 64 ## CrossAndInsert 33 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 447 ## OptSubtree 750 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 31 (30) jump= 0.848491 0.430477 0.272517 0.143136 36.9679 -30.3004 -49.4263 # jumping subtree containing T0136:D 55 (54) jump= 0.648226 0.707183 0.220773 -0.175938 -31.5399 -89.9014 -131.041 # jumping subtree containing T0136:L 8 (7) jump= -0.060399 0.494312 -0.291677 -0.816659 -95.0673 63.5171 -51.3292 # jumping subtree containing T0136:V 79 (78) jump= -0.329624 0.597795 0.711944 -0.164698 -106.803 46.1746 -152.742 # jumping subtree containing T0136:L 8 (7) jump= 0.22773 0.18699 0.554977 0.777929 -66.787 96.7314 -56.2232 # jumping subtree containing T0136:L 8 (7) jump= 0.0180124 0.100471 0.604458 -0.790071 -74.6873 -44.5751 -79.5671 # jumping subtree containing T0136:D 55 (54) jump= -0.409532 0.707792 -0.105901 0.565773 34.658 22.5369 -37.1968 # jumping subtree containing T0136:D 55 (54) jump= -0.54631 0.490387 -0.413656 -0.538475 -54.6606 117.852 -98.869 # generation 74: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 58.5424 cost/residue, 150 clashes 0.0347545 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 454 ## TwoFragment 8 ## CrossOver 65 ## CrossAndInsert 33 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 457 ## OptSubtree 774 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:L 8 (7) jump= 0.999863 -0.0135697 -0.00369267 -0.00877054 -14.934 -10.7967 8.05812 # jumping subtree containing T0136:D 55 (54) jump= -0.562483 -0.612633 -0.167028 -0.529524 8.73368 31.2023 -54.8798 # jumping subtree containing T0136:T 45 (44) jump= -0.374726 -0.190315 0.321199 0.848641 -103.767 7.26731 -24.2008 # jumping subtree containing T0136:T 45 (44) jump= 0.935314 0.158439 0.290955 0.124216 13.8921 23.355 -53.4017 # jumping subtree containing T0136:D 55 (54) jump= 0.0714257 -0.758559 -0.0967819 0.640406 -105.225 18.0002 -143.853 # jumping subtree containing T0136:D 55 (54) jump= 0.480116 -0.443903 0.175327 0.736003 -79.285 95.6679 -70.6634 # jumping subtree containing T0136:K 67 (66) jump= -0.753693 -0.434281 -0.415765 -0.265492 62.9589 -5.74127 -113.064 # Removing break before 66 # jumping subtree containing T0136:T 45 (44) jump= 0.614258 -0.130191 0.612112 -0.480683 53.3481 -41.9661 -94.3341 # jumping subtree containing T0136:K 77 (76) jump= -0.342658 0.34548 0.33522 -0.806757 -98.6332 19.982 -33.4848 # jumping subtree containing T0136:K 67 (66) jump= 0.44011 -0.18767 0.577423 -0.661563 4.78237 -83.6899 -69.1544 # jumping subtree containing T0136:D 55 (54) jump= -0.839158 0.354126 -0.212398 0.353973 21.1063 -8.62403 -31.7113 # jumping subtree containing T0136:L 8 (7) jump= 0.931049 0.264237 0.0368249 0.248939 37.6806 -36.0728 -16.7108 # generation 75: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 58.4705 cost/residue, 131 clashes 0.0347536 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 455 ## TwoFragment 8 ## CrossOver 66 ## CrossAndInsert 33 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 467 ## OptSubtree 797 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:L 8 (7) jump= 0.518737 -0.711937 0.381149 0.280683 -5.51709 89.0563 -143.231 # Removing break before 66 # jumping subtree containing T0136:K 67 (66) jump= -0.993108 0.0765036 -0.0617527 -0.0638044 -5.74449 9.00639 -14.894 # jumping subtree containing T0136:N 3 (2) jump= 0.801297 0.471066 0.352023 -0.109998 2.48456 -55.8829 -69.6484 # jumping subtree containing T0136:S 10 (9) jump= 0.884117 -0.292194 0.364279 0.0161171 57.2124 63.9306 -71.3125 # jumping subtree containing T0136:L 8 (7) jump= 0.958185 0.0219432 0.285296 -0.00243185 33.0347 -9.19738 -50.0058 # jumping subtree containing T0136:D 55 (54) jump= 0.863341 -0.108467 -0.456973 -0.184536 -85.6828 25.8726 -17.4622 # generation 76: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 58.3879 cost/residue, 143 clashes 0.0347545 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 456 ## TwoFragment 8 ## CrossOver 67 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 472 ## OptSubtree 818 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.372778 -0.600414 -0.67041 0.226032 -29.0471 -55.034 -169.027 # jumping subtree containing T0136:K 67 (66) jump= -0.390547 0.843316 -0.367224 -0.0379237 36.2221 45.7209 -140.39 # jumping subtree containing T0136:K 67 (66) jump= -0.208871 -0.111711 0.882609 -0.406073 -70.4565 -60.9832 -75.1251 # jumping subtree containing T0136:K 67 (66) jump= -0.155895 0.41584 0.342839 0.827789 14.8677 63.0998 -30.8486 # jumping subtree containing T0136:L 8 (7) jump= -0.374284 0.902489 -0.195687 -0.0844468 -8.8513 68.5588 -143.495 # jumping subtree containing T0136:K 67 (66) jump= -0.829231 0.211916 -0.260854 0.446568 4.81045 -34.6396 -12.6934 # generation 77: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.8792 cost/residue, 149 clashes 0.0495268 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 459 ## TwoFragment 8 ## CrossOver 68 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 479 ## OptSubtree 839 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 45 (44) jump= -0.542223 0.0851058 -0.0294244 0.835395 -23.9787 -9.64643 18.7217 # jumping subtree containing T0136:D 55 (54) jump= 0.514849 0.400609 -0.580305 -0.487533 -105.777 -8.45686 -83.9173 # jumping subtree containing T0136:D 55 (54) jump= 0.384071 0.807974 0.446712 0.0108002 -9.46528 -29.7576 -157.855 # jumping subtree containing T0136:D 55 (54) jump= 0.839885 0.0424871 -0.535875 -0.075011 -99.0929 -24.6262 -15.3039 # jumping subtree containing T0136:K 67 (66) jump= 0.153678 0.048752 -0.405513 0.899759 -62.0032 -51.9083 -37.5282 # jumping subtree containing T0136:K 67 (66) jump= 0.936966 0.0715975 -0.234947 0.248534 2.2298 -17.9959 -14.7268 # jumping subtree containing T0136:N 3 (2) jump= -0.998155 0.0548638 0.0168315 -0.019844 -4.48412 17.8011 15.3472 # jumping subtree containing T0136:T 45 (44) jump= -0.642927 0.707096 0.274557 0.106204 -18.9087 134.913 -54.5456 # jumping subtree containing T0136:T 45 (44) jump= -0.686803 0.222619 0.541034 -0.431305 -92.6131 15.6437 -9.0649 # jumping subtree containing T0136:K 67 (66) jump= 0.778474 -0.181892 0.549179 0.243506 49.3974 32.6379 -75.4669 # Removing break before 66 # generation 78: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.8792 cost/residue, 149 clashes 0.0495263 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 74 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 494 ## OptSubtree 851 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 3 (2) jump= -0.220981 -0.227593 0.196056 0.927863 -90.9885 40.893 -28.7649 # jumping subtree containing T0136:D 55 (54) jump= 0.731857 0.494253 -0.469147 -0.000984239 -52.9511 -72.3649 -66.2433 # Removing break before 66 # jumping subtree containing T0136:G 42 (41) jump= -0.544143 -0.833414 -0.0640808 -0.0722732 -6.82639 -39.1693 -86.0438 # jumping subtree containing T0136:A 1 (0) jump= 0.318187 0.262865 -0.389004 -0.823611 -110.334 50.3414 -52.5987 # jumping subtree containing T0136:K 67 (66) jump= -0.681476 -0.651785 0.247704 0.222284 -55.0419 -117.376 -79.2027 # jumping subtree containing T0136:K 67 (66) jump= 0.914921 0.130251 0.379105 -0.0472679 35.7692 -9.54737 -29.6849 # generation 79: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.7248 cost/residue, 142 clashes 0.0495266 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 76 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 505 ## OptSubtree 871 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.936179 -0.128628 0.305293 0.117561 -52.564 -15.0608 -16.5772 # jumping subtree containing T0136:K 67 (66) jump= 0.999647 0.0137388 0.0177829 0.0141769 4.42755 7.71028 -18.0806 # jumping subtree containing T0136:K 67 (66) jump= -0.255317 -0.415581 -0.867294 0.0995356 -44.8985 1.79794 -156.166 # jumping subtree containing T0136:K 67 (66) jump= 0.762834 0.0675036 -0.62094 0.167213 -63.7445 -0.502067 -10.6878 # generation 80: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.7246 cost/residue, 142 clashes 0.0495264 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 76 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 511 ## OptSubtree 891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.925623 -0.322868 0.15646 0.12041 -50.8006 -48.7387 -12.3023 # jumping subtree containing T0136:K 67 (66) jump= 0.685797 -0.666599 -0.281424 -0.0782885 -32.0774 57.7659 -71.638 # jumping subtree containing T0136:F 59 (58) jump= 0.995699 -0.0279843 0.0866808 -0.0169339 35.1456 5.6501 7.10894 # jumping subtree containing T0136:T 45 (44) jump= -0.889123 -0.0923019 -0.372014 0.250093 26.4679 -51.6432 -37.9792 # jumping subtree containing T0136:L 8 (7) jump= -0.0779553 0.00482512 -0.702576 0.707309 -65.4331 -101.452 -83.6841 # jumping subtree containing T0136:D 55 (54) jump= 0.177751 -0.67859 -0.677643 -0.220727 -29.4848 60.5621 -132.835 # jumping subtree containing T0136:K 67 (66) jump= -0.83589 0.279418 -0.0318872 0.471377 26.2487 7.54519 -3.87724 # jumping subtree containing T0136:T 45 (44) jump= -0.0205566 -0.720087 0.517311 -0.461996 35.54 -50.6296 -103.897 # jumping subtree containing T0136:K 67 (66) jump= -0.982782 -0.119132 -0.00224609 0.141218 -8.30715 -30.6325 -18.397 # jumping subtree containing T0136:Q 22 (21) jump= -0.579737 0.627023 0.0431001 0.518546 14.8052 73.9328 -38.0828 # jumping subtree containing T0136:T 45 (44) jump= 0.621913 0.545626 -0.329995 -0.454555 -105.285 -35.4426 -92.8608 # jumping subtree containing T0136:K 67 (66) jump= 0.97727 -0.066566 -0.137499 -0.146988 -7.75104 29.3254 8.88408 # generation 81: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.7246 cost/residue, 142 clashes 0.0495264 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 76 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 529 ## OptSubtree 910 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= -0.526026 -0.00656929 -0.699212 0.484103 31.2672 -39.9091 -91.5411 # jumping subtree containing T0136:E 17 (16) jump= 0.514494 -0.315344 -0.0848078 0.792882 -76.2688 31.2893 -49.4331 # jumping subtree containing T0136:V 16 (15) jump= 0.371056 -0.0612094 -0.274816 0.8849 -50.3053 -11.9105 -3.11932 # jumping subtree containing T0136:D 55 (54) jump= -0.912879 -0.25925 -0.233814 0.211597 -8.66767 -66.1511 -45.8607 # jumping subtree containing T0136:K 67 (66) jump= 0.14969 -0.317974 -0.540953 0.764105 -102.754 -25.1829 -96.3479 # generation 82: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.7245 cost/residue, 142 clashes 0.0495265 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 80 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 536 ## OptSubtree 923 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.969895 0.176898 -0.167 0.0110227 29.2482 8.26131 -8.50592 # jumping subtree containing T0136:N 52 (51) jump= -0.252301 0.300813 -0.569767 0.721956 6.05202 -79.3917 -58.0351 # jumping subtree containing T0136:A 1 (0) jump= 0.999198 -0.00340212 -0.00894751 -0.0388925 -20.6583 2.06278 -20.6334 # jumping subtree containing T0136:N 3 (2) jump= 0.887907 0.0659253 -0.269064 -0.367258 -89.6577 -14.2682 7.22234 # Removing break before 66 # jumping subtree containing T0136:D 55 (54) jump= -0.926355 0.155201 0.313948 0.13862 -68.3639 34.5843 -11.7453 # jumping subtree containing T0136:D 55 (54) jump= -0.0336419 0.891632 0.387091 0.232424 31.165 51.1964 -146.667 # jumping subtree containing T0136:K 67 (66) jump= 0.580181 -0.190529 0.298116 -0.733632 -2.21538 -23.6203 11.9016 # generation 83: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.7245 cost/residue, 142 clashes 0.0495266 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 84 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 542 ## OptSubtree 937 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= -0.503782 0.424892 0.751889 -0.0182439 -99.7967 34.771 -117.06 # jumping subtree containing T0136:D 55 (54) jump= 0.520534 -0.108505 0.477501 -0.699474 14.9144 -57.0026 -42.3787 # jumping subtree containing T0136:N 3 (2) jump= -0.970321 0.164625 0.048106 0.170477 -13.174 51.1673 -4.27735 # jumping subtree containing T0136:K 67 (66) jump= 0.579603 0.511154 -0.460025 0.437217 -20.2343 -90.6611 -80.572 # Removing break before 66 # jumping subtree containing T0136:K 67 (66) jump= 0.380994 0.528827 -0.132639 0.746721 32.8226 -49.8959 -5.4836 # jumping subtree containing T0136:K 67 (66) jump= -0.560138 -0.776715 -0.135397 -0.254219 47.6453 -52.6551 -82.6342 # generation 84: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.7245 cost/residue, 142 clashes 0.0495266 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 85 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 546 ## OptSubtree 956 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 25 (24) jump= 0.974376 -0.177072 0.00904077 0.1384 -16.2735 27.8147 11.4656 # jumping subtree containing T0136:D 55 (54) jump= -0.981779 -0.121916 0.145724 0.00346431 -19.2013 -25.208 14.5306 # jumping subtree containing T0136:K 67 (66) jump= 0.995922 -0.030991 0.0394519 0.0749847 2.38502 30.398 17.7307 # jumping subtree containing T0136:N 3 (2) jump= 0.972289 -0.0548793 0.100827 -0.203655 13.6645 -16.7233 12.7134 # jumping subtree containing T0136:A 64 (63) jump= -0.315513 -0.0659153 0.0227335 0.946356 -69.25 -37.3643 8.21971 # jumping subtree containing T0136:N 52 (51) jump= 0.109824 0.556107 0.161839 0.807769 64.2995 42.0959 -67.0684 # jumping subtree containing T0136:K 67 (66) jump= -0.916599 0.0644631 -0.0218668 0.39397 5.17788 8.26813 2.02153 # generation 85: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.5021 cost/residue, 117 clashes 0.0323402 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 88 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 553 ## OptSubtree 970 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= -0.1397 0.211682 0.675877 -0.692 -99.1857 -43.3269 -108.56 # jumping subtree containing T0136:K 67 (66) jump= 0.294438 -0.461246 -0.606044 -0.577294 -32.4744 82.5347 -79.9172 # jumping subtree containing T0136:D 55 (54) jump= 0.48692 -0.765526 0.376836 -0.186743 67.4521 38.7113 -136.728 # jumping subtree containing T0136:N 3 (2) jump= 0.312169 -0.521479 -0.0837199 -0.789684 32.3951 28.0344 -41.7539 # jumping subtree containing T0136:N 3 (2) jump= -0.957898 0.101614 -0.151681 -0.221581 1.58414 37.1496 -6.03467 # jumping subtree containing T0136:D 55 (54) jump= 0.702149 0.66089 0.0681069 0.256073 41.426 -32.6571 -71.9141 # jumping subtree containing T0136:Q 44 (43) jump= 0.112227 0.204996 0.270594 0.933896 6.43428 53.7143 3.19928 # jumping subtree containing T0136:Q 18 (17) jump= 0.018992 -0.625519 0.666755 0.404725 -75.8193 52.6516 -161.889 # jumping subtree containing T0136:A 1 (0) jump= -0.963019 -0.0771423 0.150801 0.209528 -38.4591 6.07462 -16.0688 # generation 86: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.5021 cost/residue, 117 clashes 0.0323402 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 89 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 556 ## OptSubtree 990 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 66 # jumping subtree containing T0136:K 67 (66) jump= -0.0494812 0.947594 0.196996 -0.246596 -56.8185 41.2277 -170.164 # jumping subtree containing T0136:K 67 (66) jump= 0.0714328 -0.553701 0.692963 0.456195 -86.6517 34.5209 -161.256 # Removing break before 54 # generation 87: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.5021 cost/residue, 117 clashes 0.0323402 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 90 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 568 ## OptSubtree 1010 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 3 (2) jump= -0.874455 0.173815 -0.407302 0.198047 39.59 -13.1188 -52.3374 # jumping subtree containing T0136:M 12 (11) jump= 0.704283 -0.131538 0.697521 -0.0121533 74.0351 10.1507 -97.4314 # jumping subtree containing T0136:T 45 (44) jump= 0.887184 -0.0631701 -0.366144 0.273591 -47.506 8.10382 -2.90818 # jumping subtree containing T0136:K 67 (66) jump= -0.944884 0.287862 -0.103323 -0.116852 8.78687 68.244 -41.6051 # jumping subtree containing T0136:R 15 (14) jump= 0.70742 -0.135299 0.693238 -0.0259268 55.9269 -7.79754 -122.905 # jumping subtree containing T0136:K 67 (66) jump= -0.82412 -0.0448704 0.502967 0.256587 -121.23 10.8717 4.02869 # jumping subtree containing T0136:A 1 (0) jump= -0.679828 -0.500847 -0.120287 -0.522031 63.3542 10.1569 -34.712 # generation 88: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.26 cost/residue, 121 clashes 0.021869 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 92 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 573 ## OptSubtree 1027 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.512727 0.589044 -0.583775 -0.222137 -17.2247 72.0473 -167.093 # jumping subtree containing T0136:D 55 (54) jump= 0.470617 -0.308424 0.31426 -0.764614 24.5226 -21.1072 -40.3269 # jumping subtree containing T0136:R 15 (14) jump= -0.346896 0.0247051 -0.915292 0.203206 -11.5406 -41.7285 -158.102 # Removing break before 66 # Removing break before 66 # jumping subtree containing T0136:A 9 (8) jump= 0.784357 -0.0340066 0.611056 0.101187 74.3928 -0.834517 -95.0646 # jumping subtree containing T0136:R 15 (14) jump= 0.320794 -0.23079 0.771598 -0.498462 52.9935 -67.4717 -130.548 # generation 89: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218689 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 96 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 579 ## OptSubtree 1041 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.964479 0.112788 -0.238496 0.0133954 37.9209 5.05542 -39.945 # jumping subtree containing T0136:N 3 (2) jump= -0.0129636 0.720287 0.221207 0.657332 49.2434 53.1133 -63.9028 # jumping subtree containing T0136:D 55 (54) jump= 0.907596 -0.175882 -0.243699 -0.293164 -50.7845 43.7837 -1.43972 # jumping subtree containing T0136:K 67 (66) jump= 0.999036 -0.0316355 0.00107454 -0.0304104 7.29667 -9.35172 14.2661 # Removing break before 54 # Removing break before 54 # jumping subtree containing T0136:D 55 (54) jump= 0.623171 -0.443537 0.114259 0.633939 -36.4937 80.7199 -59.5294 # jumping subtree containing T0136:A 78 (77) jump= -0.978572 -0.122839 0.0251093 -0.163331 22.8633 -19.2893 -5.41572 # jumping subtree containing T0136:N 3 (2) jump= -0.862045 -0.034036 -0.453782 0.223163 41.3947 -27.3677 -38.4465 # jumping subtree containing T0136:R 15 (14) jump= -0.89932 0.207737 -0.0500914 0.381523 -1.08043 -10.197 -10.617 # jumping subtree containing T0136:D 55 (54) jump= 0.0915906 0.948308 -0.123655 -0.277548 -37.1864 21.1848 -192.08 # jumping subtree containing T0136:K 67 (66) jump= 0.107274 0.59003 -0.787289 0.143295 -74.8381 -56.0155 -154.014 # jumping subtree containing T0136:M 12 (11) jump= 0.927208 0.262551 0.26672 0.0146188 56.3777 -46.9649 -26.8189 # jumping subtree containing T0136:N 3 (2) jump= 0.524896 0.418525 0.570798 0.472768 44.3793 45.4003 -105.311 # generation 90: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 96 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 592 ## OptSubtree 1063 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 21 (20) jump= 0.960291 -0.0534498 0.114179 0.248891 13.3864 12.6118 -33.6652 # jumping subtree containing T0136:M 12 (11) jump= 0.675596 -0.294701 -0.64924 -0.18764 -74.3477 79.0948 -95.3609 # jumping subtree containing T0136:R 15 (14) jump= -0.996945 -0.0145547 -0.0701508 -0.0311223 10.9441 -21.5133 -11.0662 # jumping subtree containing T0136:A 78 (77) jump= -0.999928 -0.00909162 -0.00684725 0.0037073 -11.0381 14.1796 -2.20384 # jumping subtree containing T0136:T 45 (44) jump= -0.996455 -0.047113 -0.0125945 -0.0685493 -18.0994 -2.68728 -9.41703 # jumping subtree containing T0136:D 55 (54) jump= -0.23144 0.297538 -0.603248 -0.702851 -22.7059 104.778 -90.1316 # jumping subtree containing T0136:T 45 (44) jump= -0.0355488 0.235789 -0.409204 -0.880733 -181.364 53.8312 -72.8814 # jumping subtree containing T0136:N 3 (2) jump= 0.489222 0.579984 -0.0738385 0.647169 29.7784 -5.35496 0.984663 # generation 91: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218679 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 96 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 597 ## OptSubtree 1087 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.495876 0.12421 0.706239 -0.489802 -106.466 -41.7449 -63.7437 # jumping subtree containing T0136:T 45 (44) jump= -0.670673 -0.714756 -0.0784406 0.182121 -16.0952 -112.301 -102.609 # jumping subtree containing T0136:R 15 (14) jump= 0.709408 0.316403 0.167162 0.607196 31.4574 1.64418 -20.8857 # jumping subtree containing T0136:D 55 (54) jump= -0.648104 0.113949 0.0364773 0.752095 -58.8439 -10.9969 7.44048 # jumping subtree containing T0136:A 78 (77) jump= 0.771672 -0.347592 0.0785352 0.526815 -31.2111 65.2754 -23.8781 # Removing break before 54 # jumping subtree containing T0136:A 78 (77) jump= 0.993634 0.0776921 -0.0587689 -0.0565783 7.23002 -14.8186 9.03808 # jumping subtree containing T0136:A 1 (0) jump= -0.793793 -0.115727 0.00112715 0.597075 -49.3754 -31.2393 1.86064 # jumping subtree containing T0136:A 28 (27) jump= 0.196162 0.401838 0.798997 0.402058 -18.9467 76.3443 -152.994 # jumping subtree containing T0136:T 45 (44) jump= 0.18673 -0.806464 -0.197809 0.524995 -63.735 42.3567 -123.123 # generation 92: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 98 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 602 ## OptSubtree 1104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.542157 -0.153186 -0.461321 0.685407 -43.4977 -48.819 -38.5532 # jumping subtree containing T0136:A 78 (77) jump= -0.993223 -0.0424745 0.00293798 0.108144 -1.63039 -12.5539 -23.2679 # jumping subtree containing T0136:A 78 (77) jump= 0.216228 -0.862092 -0.0866279 -0.450042 58.0711 11.7751 -93.4627 # jumping subtree containing T0136:D 55 (54) jump= 0.998818 -0.0338116 -0.0273872 -0.0216413 -3.39703 13.7911 -4.19267 # jumping subtree containing T0136:A 78 (77) jump= -0.982152 0.071107 -0.0577277 0.164284 19.4093 26.0693 -6.79328 # jumping subtree containing T0136:R 15 (14) jump= 0.810631 0.417061 0.119186 0.393361 24.1027 -12.7801 -16.035 # generation 93: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 98 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 605 ## OptSubtree 1125 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.995663 -0.0880035 -0.00919496 0.0287388 8.47641 38.8491 -5.9342 # jumping subtree containing T0136:N 52 (51) jump= 0.696188 0.314173 0.638682 -0.0932904 44.5783 -45.1368 -116.277 # jumping subtree containing T0136:N 3 (2) jump= 0.59132 -0.629501 0.300012 -0.405047 83.7852 0.482349 -90.1722 # jumping subtree containing T0136:R 15 (14) jump= 0.997095 0.0233487 0.0378459 0.0618415 0.373394 7.29372 -16.4676 # jumping subtree containing T0136:T 70 (69) jump= -0.453512 0.0404801 0.49026 0.743192 -73.8086 49.84 -9.19164 # jumping subtree containing T0136:M 12 (11) jump= 0.342784 -0.917463 0.0180135 0.20109 -45.4783 74.5212 -191.614 # jumping subtree containing T0136:A 78 (77) jump= 0.0189744 -0.563345 0.771529 -0.295 -30.4559 -47.6413 -142.159 # generation 94: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 100 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 608 ## OptSubtree 1144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.945418 -0.178101 -0.269452 0.0431349 49.1729 -30.6077 -30.7945 # jumping subtree containing T0136:H 39 (38) jump= 0.570611 0.294215 -0.441726 0.626673 -61.3133 -61.4583 18.386 # jumping subtree containing T0136:A 78 (77) jump= 0.865036 0.120168 -0.27959 -0.398876 -60.8963 2.30112 5.07188 # jumping subtree containing T0136:M 12 (11) jump= 0.988417 0.0666481 0.0860711 -0.105748 20.2225 -14.7497 19.451 # jumping subtree containing T0136:T 70 (69) jump= 0.987911 -0.0166406 0.0974778 0.119383 -12.6878 9.01731 -16.2269 # generation 95: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 101 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 610 ## OptSubtree 1165 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:N 3 (2) jump= -0.0328615 -0.750745 -0.608487 -0.255041 32.5743 55.3389 -146.791 # jumping subtree containing T0136:A 78 (77) jump= 0.824396 0.43375 -0.194355 -0.307341 -62.6048 -88.405 -32.2032 # jumping subtree containing T0136:N 3 (2) jump= 0.982396 -0.0721363 -0.0530579 0.163946 -22.8762 -0.7076 15.4977 # jumping subtree containing T0136:A 1 (0) jump= -0.995198 0.00166952 0.0956032 -0.0209215 -15.3521 2.47333 -17.6097 # jumping subtree containing T0136:A 78 (77) jump= -0.626266 -0.309468 -0.587762 0.408114 17.1027 -88.5664 -122.178 # jumping subtree containing T0136:T 70 (69) jump= 0.530044 0.0037026 0.218792 0.819249 -44.0267 41.7771 -8.997 # jumping subtree containing T0136:A 78 (77) jump= -0.349168 0.353348 -0.832991 -0.243623 -28.8238 55.8026 -142.576 # generation 96: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 103 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 610 ## OptSubtree 1187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:T 45 (44) jump= -0.0909564 -0.48526 0.697697 0.519104 -112.35 25.2105 -106.945 # jumping subtree containing T0136:D 55 (54) jump= 0.36888 -0.181859 0.173137 0.894918 -91.8642 27.3303 -40.6852 # jumping subtree containing T0136:D 55 (54) jump= -0.999375 -0.00721653 0.0345922 0.00118742 4.00312 19.4685 14.0776 # jumping subtree containing T0136:N 3 (2) jump= -0.857972 -0.333983 0.202006 -0.333965 -13.3415 -64.8334 -3.18735 # jumping subtree containing T0136:D 55 (54) jump= -0.888458 -0.40068 -0.206857 0.0854924 45.0305 -93.0335 -47.4593 # jumping subtree containing T0136:N 3 (2) jump= -0.126598 -0.40807 -0.756997 -0.494376 37.3501 62.8451 -100.871 # jumping subtree containing T0136:V 79 (78) jump= -0.641422 0.271505 0.0886478 -0.712042 -88.8741 60.624 -37.5397 # generation 97: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 107 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 610 ## OptSubtree 1207 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.980545 -0.118855 0.152298 0.0347815 -23.2693 -35.9066 18.1984 # jumping subtree containing T0136:T 45 (44) jump= -0.854958 -0.249445 -0.426161 -0.158779 71.1508 -43.1784 -57.0354 # jumping subtree containing T0136:T 70 (69) jump= 0.671176 -0.282172 -0.442677 0.523392 -116.598 60.124 -34.3614 # Removing break before 54 # generation 98: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 110 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 610 ## OptSubtree 1228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:M 12 (11) jump= 0.177539 -0.233317 -0.944224 0.149948 -97.7168 -18.9703 -179.58 # jumping subtree containing T0136:V 79 (78) jump= 0.862667 -0.393024 -0.141841 -0.28499 7.67377 75.3737 -15.215 # jumping subtree containing T0136:M 12 (11) jump= -0.767412 -0.506376 -0.390501 -0.046594 33.2242 -48.2103 -77.1508 # jumping subtree containing T0136:T 70 (69) jump= -0.343036 -0.305801 -0.681935 -0.569014 15.3357 98.3565 -107.923 # jumping subtree containing T0136:A 1 (0) jump= -0.200409 -0.533459 -0.645345 -0.508712 66.85 29.7472 -114.593 # generation 99: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2599 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 118 ## CrossAndInsert 34 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 610 ## OptSubtree 1244 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 45 (44) jump= 0.982146 0.169712 0.0699616 -0.0411419 21.0843 -38.2082 -34.0741 # jumping subtree containing T0136:D 55 (54) jump= -0.240318 0.235561 0.251784 0.907393 -24.7899 20.6736 17.5683 # jumping subtree containing T0136:T 45 (44) jump= 0.995184 -0.0500955 0.0751382 0.0381369 13.8225 26.0576 10.2703 # jumping subtree containing T0136:V 79 (78) jump= -0.81812 0.317617 0.408395 -0.251024 -87.7178 50.1093 -28.4394 # jumping subtree containing T0136:R 15 (14) jump= 0.0980022 0.326214 0.0227961 -0.939926 -122.202 -25.2941 -60.195 # generation 100: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2597 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 460 ## TwoFragment 8 ## CrossOver 122 ## CrossAndInsert 35 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 47 ## JiggleSubtree 611 ## OptSubtree 1262 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1044988315.pdb -s /projects/compbio/tmp/to_scwrl_1044988315.seq -o /projects/compbio/tmp/from_scwrl_1044988315.pdb -a /projects/compbio/tmp/from_scwrl_1044988315_a.pdb -b /projects/compbio/tmp/from_scwrl_1044988315_b.pdb > /projects/compbio/tmp/scwrl_1044988315.log # T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA-scwrl 58.0585 cost/residue 121 clashes 0.0218686 breaks # iteration 10 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 71.4223 cost/residue, 142 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 18 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 1 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.9565 cost/residue, 145 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 37 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.6957 cost/residue, 140 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 21 ## InsertFragment 58 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.4629 cost/residue, 102 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 26 ## InsertFragment 74 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.7036 cost/residue, 108 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 87 ## TwoFragment 2 ## CrossOver 2 ## CrossAndInsert 5 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.0506 cost/residue, 87 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 37 ## InsertFragment 96 ## TwoFragment 2 ## CrossOver 4 ## CrossAndInsert 6 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.8428 cost/residue, 133 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 39 ## InsertFragment 110 ## TwoFragment 2 ## CrossOver 6 ## CrossAndInsert 6 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.90454 0.315472 0.266607 0.105859 -4.56129 -28.5824 12.6767 # generation 8: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.8038 cost/residue, 83 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 46 ## InsertFragment 121 ## TwoFragment 2 ## CrossOver 7 ## CrossAndInsert 8 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.6707 cost/residue, 120 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 49 ## InsertFragment 135 ## TwoFragment 2 ## CrossOver 7 ## CrossAndInsert 10 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 9 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # generation 10: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.5146 cost/residue, 131 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 53 ## InsertFragment 145 ## TwoFragment 2 ## CrossOver 7 ## CrossAndInsert 11 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # generation 11: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.5146 cost/residue, 131 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 155 ## TwoFragment 3 ## CrossOver 7 ## CrossAndInsert 13 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 14 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # generation 12: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.3395 cost/residue, 120 clashes 0.014155 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 61 ## InsertFragment 163 ## TwoFragment 3 ## CrossOver 9 ## CrossAndInsert 14 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 16 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.9085 cost/residue, 94 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 63 ## InsertFragment 171 ## TwoFragment 4 ## CrossOver 11 ## CrossAndInsert 17 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 18 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.917153 0.222224 0.154254 0.292664 21.2719 13.7127 11.3737 # Removing break before 39 # generation 14: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.9085 cost/residue, 94 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 180 ## TwoFragment 4 ## CrossOver 13 ## CrossAndInsert 19 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 20 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.7954 cost/residue, 75 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 190 ## TwoFragment 4 ## CrossOver 15 ## CrossAndInsert 20 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 20 ## OptSubtree 38 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:A 1 (0) jump= -0.995215 -0.0511632 -0.0273601 -0.0786197 0.483793 10.2719 -6.22065 # Removing break before 64 # generation 16: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.7076 cost/residue, 83 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 197 ## TwoFragment 4 ## CrossOver 16 ## CrossAndInsert 21 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 26 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.605412 0.279335 -0.0286344 -0.744734 6.50763 -53.2645 11.8805 # generation 17: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.3817 cost/residue, 80 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 206 ## TwoFragment 4 ## CrossOver 19 ## CrossAndInsert 22 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 28 ## OptSubtree 48 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # jumping subtree containing T0136:Q 44 (43) jump= 0.716007 -0.321286 -0.522024 0.334066 -13.5977 -11.2116 -3.41946 # jumping subtree containing T0136:A 1 (0) jump= -0.314593 0.760303 -0.485247 0.295814 -27.7211 -13.1632 20.6487 # jumping subtree containing T0136:A 1 (0) jump= -0.651165 -0.308082 0.485204 -0.495628 17.1061 5.40011 32.7391 # generation 18: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.2122 cost/residue, 85 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 212 ## TwoFragment 4 ## CrossOver 20 ## CrossAndInsert 22 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 33 ## OptSubtree 57 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # Removing break before 67 # generation 19: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.9096 cost/residue, 85 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 73 ## InsertFragment 216 ## TwoFragment 4 ## CrossOver 22 ## CrossAndInsert 23 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 37 ## OptSubtree 68 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing T0136:Q 41 (40) jump= -0.149068 -0.178204 -0.607161 -0.759854 19.2358 -0.359675 13.3057 # jumping subtree containing T0136:V 79 (78) jump= -0.349125 -0.0197887 0.107383 -0.930693 -14.4247 48.42 6.37332 # generation 20: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.9096 cost/residue, 85 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 73 ## InsertFragment 224 ## TwoFragment 4 ## CrossOver 24 ## CrossAndInsert 23 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 39 ## OptSubtree 80 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break before 55 # jumping subtree containing T0136:A 1 (0) jump= -0.805482 0.24023 -0.332321 0.427844 0.115277 -6.79453 19.3785 # Removing break moved up 3 to before 43 # Removing break before 43 # generation 21: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.8621 cost/residue, 84 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 232 ## TwoFragment 4 ## CrossOver 25 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 43 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= 0.356025 -0.574908 0.463717 0.572445 -3.60903 -9.07082 -8.56885 # generation 22: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.8621 cost/residue, 84 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 232 ## TwoFragment 4 ## CrossOver 26 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 50 ## OptSubtree 106 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 47 (46) jump= -0.962652 -0.0189404 0.269603 -0.016006 16.608 22.159 11.6696 # jumping subtree containing T0136:R 47 (46) jump= 0.520216 0.100015 -0.764232 0.367861 3.36821 -16.5588 10.2005 # jumping subtree containing T0136:Q 41 (40) jump= -0.999363 -0.00547632 0.00960443 -0.0339444 11.4877 17.8945 -10.9891 # jumping subtree containing T0136:Q 41 (40) jump= 0.938895 -0.0598221 0.129919 0.31308 3.60512 -9.52609 23.1873 # generation 23: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.6471 cost/residue, 94 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 234 ## TwoFragment 4 ## CrossOver 27 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 53 ## OptSubtree 124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:R 47 (46) jump= 0.836102 -0.366572 0.404108 -0.057053 -14.4711 2.81925 -18.5905 # jumping subtree containing T0136:Q 41 (40) jump= 0.287746 0.12457 0.918297 0.241693 -15.5372 -7.22559 18.1875 # jumping subtree containing T0136:R 47 (46) jump= 0.549707 0.427208 -0.0639109 -0.715004 31.2358 22.245 -7.5743 # Removing break moved up 3 to before 43 # generation 24: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.6471 cost/residue, 94 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 235 ## TwoFragment 4 ## CrossOver 28 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 61 ## OptSubtree 138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.513244 -0.103339 0.212827 0.824989 32.1444 -29.6021 1.42981 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:R 47 (46) jump= -0.30969 0.0572214 -0.829243 -0.461708 -17.0861 -12.9857 12.7306 # Removing break moved up 3 to before 43 # generation 25: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.6471 cost/residue, 94 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 238 ## TwoFragment 4 ## CrossOver 29 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 65 ## OptSubtree 154 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:R 47 (46) jump= 0.474652 -0.335234 0.812224 -0.0511453 -27.6402 -4.8792 28.615 # generation 26: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.5019 cost/residue, 101 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 240 ## TwoFragment 4 ## CrossOver 31 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 71 ## OptSubtree 171 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= -0.984267 0.040802 -0.17071 0.0202994 12.9498 -12.1545 11.4849 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 41 (40) jump= 0.207962 -0.0511009 -0.579285 0.786492 -3.3614 3.71261 9.14229 # generation 27: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.5019 cost/residue, 101 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 240 ## TwoFragment 4 ## CrossOver 33 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 77 ## OptSubtree 187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # generation 28: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.418 cost/residue, 97 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 242 ## TwoFragment 4 ## CrossOver 35 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 80 ## OptSubtree 206 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 80 (79) jump= 0.965326 0.0370605 -0.133728 0.22111 3.7119 -27.4307 10.6786 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= -0.348434 0.319359 -0.775207 -0.419115 9.9354 5.19711 -5.27356 # jumping subtree containing T0136:D 55 (54) jump= 0.93167 -0.0106659 -0.231462 -0.279825 10.0393 5.9684 -10.7437 # generation 29: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.418 cost/residue, 97 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 243 ## TwoFragment 4 ## CrossOver 38 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 84 ## OptSubtree 222 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 15 (14) jump= -0.993477 -0.103932 -0.0312047 0.0350395 -23.2985 -14.3328 -2.13158 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 41 (40) jump= 0.985637 0.0542396 -0.146236 0.0647473 -8.7495 3.43625 15.904 # jumping subtree containing T0136:R 66 (65) jump= 0.999959 -0.0084281 0.00055919 -0.00317684 -24.1014 -10.1072 -12.1489 # jumping subtree containing T0136:A 1 (0) jump= 0.609249 0.601935 -0.513476 -0.0532168 -17.3028 16.1518 4.32825 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 41 (40) jump= 0.183919 0.307526 0.0323683 0.933035 -10.0373 18.6899 -12.8503 # jumping subtree containing T0136:D 55 (54) jump= 0.0800499 -0.44577 -0.512458 0.729567 7.45995 -2.66953 24.6335 # generation 30: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.418 cost/residue, 97 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 244 ## TwoFragment 4 ## CrossOver 38 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 92 ## OptSubtree 244 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.41097 0.0160861 -0.707817 -0.574317 -36.2351 -24.5528 24.066 # jumping subtree containing T0136:A 1 (0) jump= 0.347984 0.917485 -0.0979508 -0.165932 6.19854 38.3621 31.1327 # generation 31: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.3054 cost/residue, 94 clashes 0.0333727 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 245 ## TwoFragment 4 ## CrossOver 41 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 98 ## OptSubtree 258 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.507203 0.802576 -0.184456 0.254152 -25.5188 -32.3712 22.1502 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= 0.60083 -0.11738 0.0466099 -0.789337 -43.9041 1.1227 -10.4458 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= -0.264103 0.509392 0.610982 0.545408 -44.9241 -12.1947 32.8739 # jumping subtree containing T0136:D 55 (54) jump= 0.911376 -0.285077 -0.200523 -0.218898 -6.35639 6.25355 16.3946 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= 0.81932 0.0396727 -0.0380818 -0.570693 -9.70288 15.186 17.612 # jumping subtree containing T0136:R 47 (46) jump= -0.77887 0.619605 0.0734457 -0.0636951 2.59008 -6.30577 39.4855 # generation 32: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.1759 cost/residue, 137 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 247 ## TwoFragment 4 ## CrossOver 44 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 105 ## OptSubtree 272 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:H 68 (67) jump= -0.483972 -0.580522 -0.362769 0.545127 26.269 -25.6947 31.2945 # jumping subtree containing T0136:V 16 (15) jump= 0.493712 0.661978 0.370314 -0.425325 -17.3718 43.1368 -4.36666 # generation 33: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.1759 cost/residue, 137 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 247 ## TwoFragment 4 ## CrossOver 46 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 117 ## OptSubtree 289 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 62 (61) jump= 0.933687 -0.0686303 0.218566 -0.275223 -26.1591 -12.9356 9.07153 # jumping subtree containing T0136:A 1 (0) jump= -0.999042 -0.0278193 0.0295929 0.0163099 -5.45269 1.64918 26.7149 # jumping subtree containing T0136:R 47 (46) jump= 0.405113 -0.413219 0.591624 -0.561351 -9.42101 1.06224 47.8466 # jumping subtree containing T0136:G 42 (41) jump= -0.59707 -0.645968 -0.0876143 0.467501 -7.48043 7.45888 8.86362 # generation 34: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.1759 cost/residue, 137 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 248 ## TwoFragment 4 ## CrossOver 48 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 125 ## OptSubtree 303 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.594027 0.635055 -0.0242051 -0.493206 -0.465476 41.0864 1.43915 # jumping subtree containing T0136:A 1 (0) jump= -0.99426 0.00256592 0.106404 -0.0109029 -2.3855 20.5888 1.22405 # jumping subtree containing T0136:A 1 (0) jump= 0.934845 0.183206 0.121171 -0.278959 -11.6282 -19.065 -29.1149 # jumping subtree containing T0136:A 1 (0) jump= 0.996568 0.064051 -0.0319407 -0.0415865 -14.2093 21.336 -0.819636 # jumping subtree containing T0136:Q 41 (40) jump= -0.18791 -0.878179 -0.438181 0.0385891 -8.98589 5.42025 -32.4671 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= -0.881138 0.0379597 0.36195 0.301906 5.85859 7.45143 -8.89248 # jumping subtree containing T0136:Q 24 (23) jump= -0.755315 -0.0765275 0.612053 -0.221435 -13.2036 3.00514 -23.2169 # jumping subtree containing T0136:Q 41 (40) jump= -0.293673 0.344823 0.492709 -0.743028 -29.5764 25.7096 1.11827 # generation 35: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.0974 cost/residue, 138 clashes 0.0549746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 249 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 128 ## OptSubtree 322 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= 0.1605 0.971487 -0.110511 -0.135059 5.19871 69.3812 -18.3596 # generation 36: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.7358 cost/residue, 134 clashes 0.0366724 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 74 ## InsertFragment 250 ## TwoFragment 4 ## CrossOver 51 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 136 ## OptSubtree 335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 28 (27) jump= -0.029153 -0.935788 0.349827 -0.0327413 -11.7438 2.64417 -26.9287 # jumping subtree containing T0136:A 64 (63) jump= 0.860888 -0.352513 0.151378 -0.334202 -10.6501 -12.0973 15.5483 # jumping subtree containing T0136:L 72 (71) jump= 0.201916 -0.291691 -0.693091 -0.627512 -34.8549 14.3347 -2.35763 # jumping subtree containing T0136:A 64 (63) jump= -0.022329 0.397849 -0.806113 0.437492 -27.0184 0.862283 -5.35764 # jumping subtree containing T0136:G 42 (41) jump= 0.987396 0.0201757 -0.0684244 -0.14128 11.3212 -28.2003 2.13515 # jumping subtree containing T0136:A 1 (0) jump= 0.935953 -0.049042 -0.214648 0.274797 3.58451 37.8674 1.20182 # jumping subtree containing T0136:D 55 (54) jump= -0.681917 -0.21591 0.551146 -0.429662 20.1782 18.8185 16.3539 # jumping subtree containing T0136:A 1 (0) jump= -0.299014 -0.349078 0.874497 -0.154887 -27.5104 10.1068 2.23877 # jumping subtree containing T0136:L 72 (71) jump= -0.643173 0.748197 -0.0297681 -0.160137 18.0232 6.10422 -23.2338 # jumping subtree containing T0136:A 64 (63) jump= 0.890982 0.00601072 0.439655 -0.113221 -21.2708 -3.51421 -16.2274 # generation 37: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.7358 cost/residue, 134 clashes 0.0366724 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 251 ## TwoFragment 4 ## CrossOver 51 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 139 ## OptSubtree 361 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.727296 -0.529967 0.34762 0.263318 -6.8658 -19.2299 18.8732 # jumping subtree containing T0136:L 72 (71) jump= 0.773406 -0.198437 -0.502579 0.331482 -23.3231 -2.85292 -8.30093 # jumping subtree containing T0136:Q 41 (40) jump= 0.725959 -0.385651 0.41236 0.392704 12.3179 0.4903 -20.0424 # jumping subtree containing T0136:Q 41 (40) jump= 0.979083 0.106923 -0.0673574 0.159457 0.897746 -20.5659 16.8554 # jumping subtree containing T0136:G 42 (41) jump= -0.626183 0.287623 0.111756 -0.716016 -33.4435 40.7693 9.51082 # jumping subtree containing T0136:A 64 (63) jump= -0.317396 0.853906 0.408421 -0.057424 6.24508 23.3899 20.1269 # jumping subtree containing T0136:Q 41 (40) jump= -0.0382048 0.502916 0.646886 0.571973 -51.2537 54.5631 -46.8772 # Removing break moved up 3 to before 43 # generation 38: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.7358 cost/residue, 134 clashes 0.0366724 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 254 ## TwoFragment 4 ## CrossOver 53 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 145 ## OptSubtree 382 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.240463 0.734131 0.392112 -0.499477 -9.96037 22.4564 -31.5668 # jumping subtree containing T0136:E 36 (35) jump= -0.690088 0.720046 0.00139383 -0.0728673 -12.522 10.6291 12.016 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:L 50 (49) jump= -0.906548 -0.0180708 -0.404527 0.119171 -16.3485 2.7159 -15.6884 # jumping subtree containing T0136:D 55 (54) jump= -0.999994 -0.0023223 0.00246878 -0.000854891 -24.2882 -6.76374 -3.17225 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 24 (23) jump= 0.525571 -0.400303 -0.232142 -0.713892 -23.4146 -5.86362 23.8881 # jumping subtree containing T0136:D 55 (54) jump= -0.862543 -0.479364 0.0562169 -0.151882 8.24933 -5.18365 -16.399 # generation 39: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.7358 cost/residue, 134 clashes 0.0366723 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 254 ## TwoFragment 4 ## CrossOver 53 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 149 ## OptSubtree 402 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.716319 -0.243067 -0.547373 0.358033 -26.0104 -18.5104 -31.3094 # jumping subtree containing T0136:D 55 (54) jump= -0.983635 0.145871 0.0864948 -0.0608474 -21.9568 12.9328 -1.03647 # generation 40: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1572 cost/residue, 129 clashes 0.039728 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 257 ## TwoFragment 4 ## CrossOver 55 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 152 ## OptSubtree 418 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.249264 0.426767 0.687662 -0.531844 -23.7111 24.9223 9.49355 # jumping subtree containing T0136:D 55 (54) jump= 0.23908 0.287352 0.224323 0.899971 -19.5347 25.015 3.83481 # jumping subtree containing T0136:Q 41 (40) jump= -0.985938 0.0304309 0.0119698 0.16388 9.1574 9.18311 -3.66097 # jumping subtree containing T0136:L 19 (18) jump= -0.526907 -0.588177 0.599492 0.130485 -14.6198 -7.65842 20.6939 # jumping subtree containing T0136:Q 41 (40) jump= 0.785454 -0.326215 -0.498873 -0.166647 4.18949 6.2966 13.8549 # jumping subtree containing T0136:R 66 (65) jump= 0.925802 0.0679436 -0.352323 -0.118922 -8.9337 -7.5964 19.6941 # jumping subtree containing T0136:D 55 (54) jump= 0.380117 -0.260273 0.250636 0.85144 14.8312 18.3549 -14.2872 # generation 41: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1572 cost/residue, 129 clashes 0.039728 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 258 ## TwoFragment 4 ## CrossOver 55 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 158 ## OptSubtree 435 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.128159 -0.379497 -0.914221 -0.0612962 -30.3206 -12.7786 67.4402 # jumping subtree containing T0136:Q 41 (40) jump= 0.840249 -0.150255 -0.442965 0.274202 -26.2086 15.2254 24.0068 # Removing break before 35 # jumping subtree containing T0136:Q 41 (40) jump= 0.670222 -0.471812 -0.115875 0.561043 -41.9257 13.0275 1.22573 # jumping subtree containing T0136:Q 41 (40) jump= 0.0769105 0.833791 -0.514627 -0.184492 2.89451 17.3296 40.2693 # jumping subtree containing T0136:D 55 (54) jump= -0.934142 0.186101 -0.105459 -0.285699 15.0048 -8.57899 -9.99387 # generation 42: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1572 cost/residue, 129 clashes 0.039728 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 258 ## TwoFragment 4 ## CrossOver 56 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 165 ## OptSubtree 460 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.483271 -0.0606728 -0.518607 -0.702719 -34.3758 1.82069 -4.86503 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 41 (40) jump= 0.940682 0.0606275 0.125885 0.309184 11.7701 3.78275 14.6306 # jumping subtree containing T0136:D 55 (54) jump= 0.667242 -0.539362 0.0740311 0.508327 -17.0354 4.33486 6.03153 # jumping subtree containing T0136:K 77 (76) jump= 0.601112 0.252321 -0.421007 -0.630676 -2.15487 2.57458 -13.8583 # Removing break moved up 3 to before 43 # generation 43: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1572 cost/residue, 129 clashes 0.039728 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 258 ## TwoFragment 4 ## CrossOver 57 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 174 ## OptSubtree 474 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.894487 -0.0912982 0.025067 -0.436955 -22.5896 9.51501 21.7123 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:V 79 (78) jump= -0.932343 -0.0393122 0.2935 -0.20748 20.1486 15.2802 17.111 # jumping subtree containing T0136:D 55 (54) jump= -0.203287 -0.868559 0.223393 -0.392907 -11.6577 22.2223 2.25334 # jumping subtree containing T0136:D 55 (54) jump= 0.836254 0.288619 0.405222 -0.230595 2.28773 -9.0416 -21.5127 # jumping subtree containing T0136:A 1 (0) jump= 0.957922 0.130706 -0.195493 0.164572 -3.03278 10.1702 -17.0987 # jumping subtree containing T0136:Q 41 (40) jump= -0.720723 0.44294 -0.141646 -0.514101 -36.7282 10.3641 -4.36145 # generation 44: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.6791 cost/residue, 127 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 258 ## TwoFragment 4 ## CrossOver 62 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 177 ## OptSubtree 490 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 75 (74) jump= 0.59918 0.360508 0.160393 -0.696628 -11.2688 25.3529 -5.90418 # jumping subtree containing T0136:D 76 (75) jump= -0.14172 -0.11021 0.114659 -0.977048 -3.06991 15.9934 27.7148 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= 0.692186 -0.465047 0.134445 0.535289 -16.0302 4.90514 -22.9128 # jumping subtree containing T0136:Q 41 (40) jump= -0.825199 0.436209 0.17232 0.314761 -6.48807 -28.9986 27.7495 # jumping subtree containing T0136:D 55 (54) jump= -0.723556 0.204751 0.580134 0.313032 -32.288 -27.7533 12.8304 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 41 (40) jump= 0.969847 0.0419549 -0.203262 0.127757 -30.8919 15.8405 11.9531 # jumping subtree containing T0136:D 55 (54) jump= 0.760602 0.35867 -0.513999 0.169251 12.9662 15.5707 -15.6131 # generation 45: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.6791 cost/residue, 127 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 261 ## TwoFragment 4 ## CrossOver 62 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 179 ## OptSubtree 509 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.986733 -0.129301 0.0914897 -0.0356094 11.1978 22.8541 1.21913 # jumping subtree containing T0136:D 55 (54) jump= 0.281151 -0.113727 -0.219148 0.927359 18.5563 54.1463 12.4897 # generation 46: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.5963 cost/residue, 119 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 262 ## TwoFragment 4 ## CrossOver 64 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 184 ## OptSubtree 532 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:V 80 (79) jump= 0.793218 -0.438869 -0.355285 -0.227974 25.4206 -46.675 -5.47 # jumping subtree containing T0136:Q 41 (40) jump= -0.994567 -0.0617036 -0.0700696 -0.0460306 2.85769 1.59676 16.3472 # jumping subtree containing T0136:Q 38 (37) jump= -0.581379 0.196535 0.426083 -0.6647 -10.3427 -36.6948 2.76412 # jumping subtree containing T0136:Q 41 (40) jump= 0.922609 0.166711 0.347018 0.0240636 0.0972688 -15.8227 -12.164 # jumping subtree containing T0136:Q 41 (40) jump= -0.92394 -0.060622 0.255392 0.27827 18.4581 -2.58989 -8.43811 # jumping subtree containing T0136:Q 41 (40) jump= 0.345794 -0.159856 -0.115497 0.917351 -2.97375 -19.0778 -14.6857 # jumping subtree containing T0136:A 1 (0) jump= -0.629112 0.176483 -0.736148 0.176517 29.2439 14.574 -3.87307 # jumping subtree containing T0136:Q 44 (43) jump= 0.470809 0.459425 -0.416226 0.627713 -14.7847 -19.4859 3.04441 # jumping subtree containing T0136:D 60 (59) jump= -0.734821 0.050318 0.55969 0.379807 25.7776 -13.5803 17.5523 # jumping subtree containing T0136:D 55 (54) jump= 0.406583 0.734007 0.537702 -0.0824703 11.8303 -26.5432 52.0475 # generation 47: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.5963 cost/residue, 119 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 262 ## TwoFragment 4 ## CrossOver 67 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 191 ## OptSubtree 546 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.619377 -0.733497 -0.108537 -0.258021 4.6993 -65.4052 -10.1632 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= 0.782836 0.221321 -0.55604 0.170307 -16.8568 -12.1668 20.2618 # jumping subtree containing T0136:A 1 (0) jump= 0.902108 -0.229832 -0.349053 0.107423 18.4923 9.98261 7.34947 # jumping subtree containing T0136:A 1 (0) jump= 0.994757 0.0681422 0.0760936 0.00501849 -8.83216 28.2403 -3.93542 # jumping subtree containing T0136:D 55 (54) jump= -0.661778 0.345323 0.655944 -0.111976 25.5771 -18.232 6.84312 # jumping subtree containing T0136:D 55 (54) jump= 0.725951 -0.267007 -0.609202 -0.174859 14.3738 -27.5988 6.28882 # jumping subtree containing T0136:Q 41 (40) jump= -0.441983 0.133439 0.752003 0.470465 31.3438 -8.38324 34.9455 # jumping subtree containing T0136:D 55 (54) jump= 0.483443 0.277126 0.555252 0.617398 1.69558 -16.1765 46.2881 # generation 48: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.5491 cost/residue, 128 clashes 0.0262115 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 263 ## TwoFragment 4 ## CrossOver 70 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 200 ## OptSubtree 565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 43 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:A 1 (0) jump= 0.926597 0.19157 -0.318698 0.0561284 19.2141 28.1027 18.187 # jumping subtree containing T0136:D 55 (54) jump= 0.996039 -0.0577581 -0.0319998 0.0595446 23.4509 -4.7444 12.5687 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= 0.848039 0.165392 -0.32841 -0.381604 57.2304 -7.32131 38.2068 # jumping subtree containing T0136:A 1 (0) jump= -0.989319 0.0989124 -0.0245613 -0.104218 12.3824 14.5552 1.55332 # jumping subtree containing T0136:Q 41 (40) jump= 0.988929 0.0723538 4.79066e-05 0.129552 -0.300668 17.9937 12.6925 # jumping subtree containing T0136:D 76 (75) jump= 0.115149 0.887373 0.405324 0.187141 20.4133 -27.7656 55.3566 # jumping subtree containing T0136:A 1 (0) jump= 0.980575 0.18578 0.0628205 -0.00335996 -2.84598 4.21398 -2.10043 # jumping subtree containing T0136:D 76 (75) jump= 0.460971 -0.551677 0.508077 -0.474358 -8.54268 -21.5517 11.9146 # jumping subtree containing T0136:D 60 (59) jump= -0.981257 0.025943 0.0945072 -0.165922 -29.7267 -17.9672 -13.3295 # generation 49: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4217 cost/residue, 119 clashes 0.0380136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 265 ## TwoFragment 4 ## CrossOver 72 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 206 ## OptSubtree 586 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.479107 0.802279 0.216663 0.282599 -17.5226 -59.1899 51.6131 # jumping subtree containing T0136:A 1 (0) jump= -0.444841 -0.1918 -0.859809 0.161424 24.942 -14.335 28.521 # jumping subtree containing T0136:A 1 (0) jump= 0.701542 0.534115 -0.46718 0.0655937 -8.29473 17.3704 11.5104 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= -0.99983 -0.0127274 0.0115541 0.00668389 -0.563272 -11.8046 -6.4594 # jumping subtree containing T0136:M 75 (74) jump= -0.831423 -0.489025 -0.0698379 -0.254389 -15.495 7.01581 9.8337 # jumping subtree containing T0136:V 62 (61) jump= -0.595192 0.330608 -0.134542 -0.719961 -51.1495 -63.0923 -26.1855 # generation 50: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4217 cost/residue, 119 clashes 0.0380136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 265 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 23 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 214 ## OptSubtree 612 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.888265 -0.0525919 -0.115617 -0.441421 -33.5905 -32.8341 2.27244 # jumping subtree containing T0136:A 1 (0) jump= -0.212926 0.0883392 -0.362445 0.903046 6.33629 -23.5162 -19.6728 # jumping subtree containing T0136:D 55 (54) jump= 0.876384 -0.173903 -0.092283 0.439538 -49.4388 -16.1356 -6.8813 # generation 51: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0028 cost/residue, 117 clashes 0.0407029 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 265 ## TwoFragment 4 ## CrossOver 74 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 216 ## OptSubtree 632 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.999994 0.00205349 -0.00247306 -0.0014568 -6.13104 11.7047 -11.7564 # jumping subtree containing T0136:D 55 (54) jump= -0.945896 -0.216079 0.180911 -0.160818 -18.2927 14.2464 20.3084 # jumping subtree containing T0136:A 1 (0) jump= 0.904173 0.0561529 0.423425 0.00541641 8.6977 6.45059 8.02403 # jumping subtree containing T0136:Q 41 (40) jump= -0.104114 0.183801 -0.0451103 0.976393 -62.6191 -82.7236 -3.33635 # generation 52: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9958 cost/residue, 113 clashes 0.0559987 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 266 ## TwoFragment 4 ## CrossOver 75 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 222 ## OptSubtree 649 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.570645 0.697002 0.325001 0.287971 2.9909 -5.53731 70.0112 # jumping subtree containing T0136:Q 41 (40) jump= -0.10649 -0.73867 -0.562317 0.356126 43.2012 -38.144 -0.919088 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:R 49 (48) jump= 0.675281 -0.138709 0.681451 -0.245725 -62.4659 -13.4214 -26.4909 # jumping subtree containing T0136:D 55 (54) jump= 0.203485 0.736699 -0.118823 -0.633837 0.671897 -65.2317 12.6332 # generation 53: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9958 cost/residue, 113 clashes 0.0559988 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 75 ## InsertFragment 266 ## TwoFragment 4 ## CrossOver 76 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 230 ## OptSubtree 671 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:A 1 (0) jump= 0.0512362 -0.848547 0.493599 0.183582 -52.5533 -59.8774 23.9808 # jumping subtree containing T0136:D 55 (54) jump= -0.776908 -0.140699 -0.314624 0.526906 13.6763 2.18241 -13.5782 # jumping subtree containing T0136:D 55 (54) jump= -0.872942 0.03252 -0.1978 -0.444736 -59.5037 -14.568 7.7428 # jumping subtree containing T0136:Q 41 (40) jump= 0.693539 -0.37784 -0.396997 0.467583 9.92606 -31.1681 -12.2402 # jumping subtree containing T0136:D 55 (54) jump= 0.9072 0.208547 -0.357974 -0.073146 -19.6559 -2.51632 25.847 # jumping subtree containing T0136:A 1 (0) jump= -0.394152 -0.297655 0.842189 -0.216248 -44.4713 -3.86421 25.5713 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 41 (40) jump= 0.709357 -0.455055 -0.535076 0.0585731 29.4878 -20.3738 19.4905 # generation 54: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8473 cost/residue, 114 clashes 0.0559987 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 268 ## TwoFragment 4 ## CrossOver 76 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 238 ## OptSubtree 695 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 43 (42) jump= 0.782028 -0.0649551 0.472869 0.400759 -69.4154 8.7834 -1.32878 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= -0.465389 -0.671563 -0.254489 0.51735 12.7497 -31.3723 13.8858 # jumping subtree containing T0136:D 55 (54) jump= 0.0887263 -0.809093 0.238222 0.529855 16.6072 -68.094 16.672 # Removing break before 54 # generation 55: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8473 cost/residue, 114 clashes 0.0559988 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 268 ## TwoFragment 4 ## CrossOver 77 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 244 ## OptSubtree 714 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.57528 -0.138555 0.805974 -0.0161681 -59.3958 -16.1526 20.0825 # jumping subtree containing T0136:D 55 (54) jump= -0.114795 0.489165 -0.861853 -0.068909 -33.0493 -51.3135 23.0692 # jumping subtree containing T0136:D 55 (54) jump= 0.438274 -0.654845 -0.0716287 -0.611525 3.55513 -88.7579 16.2364 # jumping subtree containing T0136:D 55 (54) jump= 0.531409 -0.448511 0.502182 0.514058 -51.7037 -54.1506 -14.643 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:K 43 (42) jump= -0.393408 -0.7801 -0.150592 -0.462597 -36.0379 -59.561 75.7316 # jumping subtree containing T0136:D 55 (54) jump= -0.566616 0.475113 0.3087 -0.598263 17.1541 -34.1817 -32.9062 # jumping subtree containing T0136:A 1 (0) jump= -0.763167 -0.364696 -0.526032 0.0886714 2.53795 -9.42748 -18.3585 # generation 56: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8473 cost/residue, 114 clashes 0.0559988 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 268 ## TwoFragment 4 ## CrossOver 77 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 251 ## OptSubtree 738 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.0446423 -0.350895 -0.173347 -0.919147 -20.3012 -93.0911 14.9739 # jumping subtree containing T0136:D 55 (54) jump= 0.624626 0.30822 -0.350724 0.625967 -14.7365 -5.84579 10.7504 # jumping subtree containing T0136:Q 41 (40) jump= 0.986275 -0.0234808 0.160537 0.0306211 7.40473 23.4895 -14.9413 # jumping subtree containing T0136:D 55 (54) jump= 0.441958 -0.148429 -0.236561 0.852456 -31.5688 -16.0783 -31.812 # jumping subtree containing T0136:T 71 (70) jump= 0.0598548 -0.348593 -0.498859 -0.791227 6.57076 -36.3939 2.68796 # Removing break before 54 # generation 57: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8473 cost/residue, 114 clashes 0.0559987 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 268 ## TwoFragment 4 ## CrossOver 78 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 257 ## OptSubtree 755 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.978981 0.0236695 -0.0456869 -0.197357 36.1353 8.29153 2.45764 # jumping subtree containing T0136:E 32 (31) jump= -0.061242 0.401069 -0.837923 -0.365073 -30.9969 -31.6573 35.4025 # jumping subtree containing T0136:A 1 (0) jump= -0.430028 0.0567143 -0.612635 -0.66071 -56.9716 -10.4316 9.3271 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= -0.140272 0.851334 -0.237757 0.446123 -19.5874 -84.0254 -9.44227 # generation 58: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8473 cost/residue, 114 clashes 0.0559987 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 268 ## TwoFragment 4 ## CrossOver 81 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 262 ## OptSubtree 771 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.285722 -0.541281 0.482245 0.626752 -72.746 -47.606 -56.4747 # jumping subtree containing T0136:T 70 (69) jump= 0.38861 0.394805 -0.590006 -0.58737 -5.34454 -67.2118 96.5467 # jumping subtree containing T0136:D 55 (54) jump= 0.421886 -0.816972 0.00789328 -0.393073 -5.16558 -72.4927 24.5994 # jumping subtree containing T0136:D 55 (54) jump= 0.0896445 0.133443 0.415788 0.895141 -48.4006 -26.7352 26.1851 # jumping subtree containing T0136:Q 41 (40) jump= 0.858232 0.0418361 -0.498289 0.115741 -22.4664 -0.43172 42.6349 # jumping subtree containing T0136:Q 41 (40) jump= 0.945159 -0.325297 -0.0290252 -0.00369905 -7.33542 -8.13216 -2.79738 # Removing break before 54 # jumping subtree containing T0136:G 14 (13) jump= -0.56611 0.595225 0.507933 0.259288 27.0359 -12.9461 16.1827 # jumping subtree containing T0136:Q 41 (40) jump= 0.998903 0.0138354 0.021698 -0.0391267 13.3252 -3.6776 4.12193 # generation 59: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8473 cost/residue, 114 clashes 0.0559987 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 268 ## TwoFragment 4 ## CrossOver 83 ## CrossAndInsert 23 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 271 ## OptSubtree 784 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.219667 0.424191 0.586075 0.654465 -53.1585 6.81253 53.9743 # jumping subtree containing T0136:Q 41 (40) jump= 0.997931 0.0236804 0.0594092 0.00656042 -10.0645 13.12 1.71852 # jumping subtree containing T0136:Q 41 (40) jump= -0.144132 -0.918899 0.326998 0.167101 -10.0515 -68.3506 30.7193 # jumping subtree containing T0136:Q 41 (40) jump= 0.613961 0.140363 0.552206 0.546277 -86.7573 13.3143 -12.1512 # jumping subtree containing T0136:D 55 (54) jump= -0.88741 -0.326046 0.000142954 -0.32588 -23.7626 -18.3739 0.218687 # Removing break moved up 3 to before 43 # generation 60: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.6933 cost/residue, 113 clashes 0.0559988 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 268 ## TwoFragment 4 ## CrossOver 88 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 274 ## OptSubtree 799 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 47 (46) jump= -0.47122 -0.391892 -0.621475 -0.487997 -57.2762 3.934 17.8046 # jumping subtree containing T0136:E 61 (60) jump= 0.663193 0.518705 0.433095 0.321791 -18.0505 -0.515279 76.2619 # jumping subtree containing T0136:Q 24 (23) jump= -0.998277 -0.0208219 0.0470402 0.0282212 28.5938 -5.32596 14.0761 # jumping subtree containing T0136:D 55 (54) jump= 0.128603 -0.27394 -0.702421 -0.644222 11.6717 -56.4611 40.26 # jumping subtree containing T0136:A 1 (0) jump= 0.173553 -0.571701 0.540266 -0.592579 -18.1602 -51.8102 -40.0366 # jumping subtree containing T0136:S 10 (9) jump= -0.999856 0.0043575 -0.00250916 -0.0162156 6.32728 13.7253 -9.62199 # jumping subtree containing T0136:D 55 (54) jump= -0.955716 0.280308 -0.042284 -0.0790302 -14.2754 -12.1806 -17.8723 # jumping subtree containing T0136:Q 41 (40) jump= 0.310973 -0.11779 0.943091 0.000241706 -59.5032 -4.23915 -15.951 # jumping subtree containing T0136:K 43 (42) jump= 0.00312024 -0.871319 -0.224359 -0.436413 17.5402 -106.418 32.5065 # generation 61: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.6933 cost/residue, 113 clashes 0.0559988 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 269 ## TwoFragment 4 ## CrossOver 90 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 280 ## OptSubtree 814 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 62 (61) jump= 0.0978916 0.320043 -0.6315 0.699426 -23.2512 -40.4694 -54.7597 # jumping subtree containing T0136:K 77 (76) jump= -0.322673 0.777043 0.483567 -0.24135 35.9867 -67.1456 -16.5898 # jumping subtree containing T0136:D 55 (54) jump= -0.753972 0.443895 0.335502 0.349172 48.1829 -35.3625 -15.4915 # jumping subtree containing T0136:Q 41 (40) jump= -0.988176 -0.0593584 0.00253352 -0.141343 -18.8385 16.6121 15.1903 # jumping subtree containing T0136:Q 41 (40) jump= -0.0149086 -0.310087 0.211673 0.926725 -28.1158 -76.8266 2.6718 # jumping subtree containing T0136:H 68 (67) jump= 0.611591 -0.443317 -0.49882 -0.424977 18.1989 -21.2631 8.66053 # generation 62: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.6933 cost/residue, 113 clashes 0.0559988 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 269 ## TwoFragment 4 ## CrossOver 93 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 288 ## OptSubtree 835 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.498679 -0.629688 -0.595583 0.00965772 10.9193 -22.2051 8.56359 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 41 (40) jump= -0.998711 -0.00954066 -0.0450463 -0.0213476 -8.1796 19.5761 -15.4769 # jumping subtree containing T0136:D 55 (54) jump= 0.952091 -0.197895 -0.115325 -0.202636 -0.973001 -4.01147 -23.1673 # jumping subtree containing T0136:D 55 (54) jump= 0.119622 0.0862965 -0.452899 0.879276 -9.86342 -54.2977 -15.2626 # jumping subtree containing T0136:Q 41 (40) jump= 0.995369 -0.030202 -0.0863731 -0.0294694 -5.01231 -5.02811 27.8652 # jumping subtree containing T0136:D 60 (59) jump= -0.469771 -0.567217 -0.617637 0.27587 18.0707 -23.1787 15.5012 # jumping subtree containing T0136:Q 41 (40) jump= -0.754481 0.630223 0.0365005 -0.179571 16.6907 -62.4282 -29.6965 # Removing break before 54 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:D 55 (54) jump= 0.622613 0.768531 -0.133626 -0.0621024 19.4489 -28.4017 60.596 # Removing break moved up 3 to before 43 # generation 63: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3076 cost/residue, 113 clashes 0.0380029 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 272 ## TwoFragment 4 ## CrossOver 94 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 291 ## OptSubtree 852 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.65824 0.0883221 -0.00686202 -0.747578 17.2804 -51.5253 20.0746 # jumping subtree containing T0136:Q 41 (40) jump= -0.143012 0.393263 0.155266 -0.894865 -29.1058 -68.5364 -39.1775 # jumping subtree containing T0136:A 1 (0) jump= 0.317082 0.867373 0.204442 0.32454 -7.47903 -31.4186 67.8993 # Removing break before 54 # jumping subtree containing T0136:R 47 (46) jump= -0.987712 -0.0949424 -0.0528607 -0.112323 0.652786 9.63834 17.1456 # jumping subtree containing T0136:Q 41 (40) jump= -0.99547 0.0417465 -0.0377244 0.0766351 -6.3947 -13.6123 -27.1621 # jumping subtree containing T0136:D 60 (59) jump= -0.0637868 -0.256973 -0.67 -0.693538 21.6705 -43.683 68.2357 # generation 64: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3076 cost/residue, 113 clashes 0.0380028 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 272 ## TwoFragment 4 ## CrossOver 94 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 302 ## OptSubtree 872 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.76481 0.174185 -0.348433 0.513147 -0.720037 -23.6445 -48.0696 # jumping subtree containing T0136:D 60 (59) jump= -0.242326 -0.188303 -0.703676 0.640828 -4.62741 -42.7432 -44.1549 # jumping subtree containing T0136:D 60 (59) jump= -0.179062 0.472553 0.862691 -0.0198543 41.7596 -4.45422 34.033 # jumping subtree containing T0136:Q 41 (40) jump= 0.85759 0.122739 -0.208507 0.453872 -31.0805 -11.8679 -7.27156 # jumping subtree containing T0136:D 60 (59) jump= -0.543769 -0.837573 0.038142 0.036506 26.0426 -44.8254 59.1605 # jumping subtree containing T0136:Q 41 (40) jump= 0.479578 -0.0597818 0.675174 -0.557289 -10.7093 -32.4124 -31.9859 # Removing break before 54 # jumping subtree containing T0136:R 66 (65) jump= 0.771896 -0.21213 0.433971 0.413337 -33.5768 -29.3251 32.2766 # jumping subtree containing T0136:Q 41 (40) jump= 0.477933 0.359403 -0.797465 0.080366 -37.1179 5.41548 34.5065 # jumping subtree containing T0136:A 1 (0) jump= 0.957649 0.0366103 -0.12853 0.255045 -23.0138 29.6267 -7.38434 # jumping subtree containing T0136:A 1 (0) jump= 0.498655 -0.154553 -0.404948 0.750649 11.523 -38.7629 -8.64878 # jumping subtree containing T0136:A 1 (0) jump= -0.999085 -0.00246877 0.0165875 -0.0393557 9.76578 -18.4285 13.8801 # Removing break moved up 3 to before 43 # jumping subtree containing T0136:Q 24 (23) jump= -0.94813 -0.0283685 0.295283 0.114249 12.4683 13.8359 34.3451 # Removing break before 54 # generation 65: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3076 cost/residue, 113 clashes 0.0380028 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 272 ## TwoFragment 4 ## CrossOver 94 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 314 ## OptSubtree 890 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.475451 0.194769 -0.391888 0.763174 -43.2953 -28.1639 24.7877 # jumping subtree containing T0136:Q 41 (40) jump= 0.77875 -0.0345167 -0.625895 -0.0247428 -0.724264 0.474545 18.7829 # jumping subtree containing T0136:Q 41 (40) jump= 0.687382 -0.601322 0.269559 0.305378 -14.0785 -67.0157 -24.1835 # jumping subtree containing T0136:Q 41 (40) jump= -0.957811 0.168679 0.162745 -0.166312 -3.67917 -26.5052 -1.61436 # jumping subtree containing T0136:Q 41 (40) jump= 0.538716 -0.723387 0.303614 -0.307107 -35.2567 -86.7556 -41.1959 # Removing break before 54 # jumping subtree containing T0136:R 66 (65) jump= 0.999063 0.0381536 0.00690162 0.0192053 -10.5984 18.6753 3.81344 # jumping subtree containing T0136:Q 41 (40) jump= -0.981734 -0.160366 -0.0983322 0.028482 7.38375 10.7067 20.1349 # jumping subtree containing T0136:A 1 (0) jump= -0.112514 0.333219 0.666947 0.656878 -8.08799 -8.84328 43.0891 # jumping subtree containing T0136:Q 41 (40) jump= 0.551399 -0.690508 0.308119 -0.352449 7.49476 -82.2097 -34.1561 # jumping subtree containing T0136:D 55 (54) jump= -0.857996 -0.000686245 0.0692672 -0.508964 -37.2834 -25.7981 16.9029 # jumping subtree containing T0136:D 55 (54) jump= -0.838102 -0.397127 -0.132896 0.349593 -8.49871 36.2773 6.55645 # jumping subtree containing T0136:Q 41 (40) jump= -0.955971 -0.0236339 0.133436 -0.260301 -42.7566 -21.1443 9.9852 # jumping subtree containing T0136:D 55 (54) jump= 0.382968 -0.106027 0.389882 0.830714 -35.9549 -71.8952 -0.0049324 # generation 66: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.2403 cost/residue, 153 clashes 0.0380026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 273 ## TwoFragment 4 ## CrossOver 96 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 322 ## OptSubtree 907 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:V 35 (34) jump= 0.561529 0.491526 -0.117967 -0.655112 41.0938 -43.315 73.0835 # Removing break before 54 # jumping subtree containing T0136:Q 41 (40) jump= 0.975695 -0.0834149 -0.0584776 0.194017 -2.70372 -19.6213 -8.11119 # jumping subtree containing T0136:D 55 (54) jump= 0.954289 -0.0967284 -0.118557 -0.256749 1.49233 -11.9947 -23.8327 # generation 67: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.2403 cost/residue, 153 clashes 0.0380026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 273 ## TwoFragment 4 ## CrossOver 98 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 326 ## OptSubtree 925 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.508887 -0.00820017 -0.820548 -0.260131 -43.5225 -5.27005 -8.97457 # jumping subtree containing T0136:D 55 (54) jump= -0.899809 -0.296755 0.318258 -0.0314873 10.2647 -23.2772 21.3713 # jumping subtree containing T0136:Q 41 (40) jump= -0.878893 -0.378384 -0.147921 0.249985 15.6612 29.4841 59.5053 # jumping subtree containing T0136:D 55 (54) jump= -0.89746 0.34566 0.0264346 0.272738 21.1267 -35.4198 2.2895 # jumping subtree containing T0136:D 60 (59) jump= -0.984775 -0.0960319 -0.0329568 -0.141099 -15.3991 16.629 -0.731294 # jumping subtree containing T0136:Q 41 (40) jump= -0.385246 0.115488 -0.753364 0.52028 48.793 -23.3754 -28.8322 # generation 68: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6777 cost/residue, 137 clashes 0.0380028 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 274 ## TwoFragment 4 ## CrossOver 98 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 338 ## OptSubtree 944 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.164537 -0.293326 -0.697137 0.633157 -33.0765 -43.971 -50.8886 # Removing break before 54 # jumping subtree containing T0136:D 55 (54) jump= -0.711831 0.24015 0.0154408 0.659838 32.5445 -74.5094 -16.6371 # jumping subtree containing T0136:A 20 (19) jump= -0.638214 -0.74373 0.133708 -0.147209 -22.8814 -23.4163 53.4884 # jumping subtree containing T0136:M 75 (74) jump= 0.0763372 0.845884 -0.0283344 0.527115 -20.3933 -73.1583 -5.97325 # jumping subtree containing T0136:K 43 (42) jump= 0.993291 -0.0202843 -0.0144075 0.112936 -30.9478 21.8639 -4.85006 # jumping subtree containing T0136:D 60 (59) jump= 0.750686 0.188815 0.165086 -0.6112 33.1269 5.79969 17.4024 # generation 69: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6777 cost/residue, 137 clashes 0.0380028 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 274 ## TwoFragment 4 ## CrossOver 100 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 345 ## OptSubtree 961 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.943035 0.073951 0.284233 -0.156295 -6.93178 -39.7101 -20.9441 # jumping subtree containing T0136:D 60 (59) jump= 0.790682 -0.118802 0.452882 0.39447 -45.5438 19.2831 -12.0411 # Removing break before 54 # jumping subtree containing T0136:D 60 (59) jump= 0.962518 0.082103 -0.257899 0.017497 -20.5128 6.00949 12.0339 # jumping subtree containing T0136:D 60 (59) jump= 0.65764 -0.217274 0.66001 0.291013 -21.79 -21.2206 32.0583 # jumping subtree containing T0136:Q 41 (40) jump= -0.898292 0.112472 0.405416 -0.126726 -9.1458 20.8768 -5.92072 # jumping subtree containing T0136:D 60 (59) jump= 0.805809 0.375083 -0.456134 -0.0438762 5.66691 9.59461 53.0623 # jumping subtree containing T0136:D 60 (59) jump= 0.800367 0.236588 0.313257 0.45311 -26.6706 -12.1955 39.6578 # generation 70: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.674 cost/residue, 137 clashes 0.0378483 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 275 ## TwoFragment 4 ## CrossOver 100 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 351 ## OptSubtree 985 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:D 60 (59) jump= -0.737186 0.362588 0.259204 -0.507839 -14.7307 32.9717 0.660459 # jumping subtree containing T0136:D 60 (59) jump= -0.814532 -0.219853 0.254103 -0.472899 -54.7044 -7.93854 23.2926 # jumping subtree containing T0136:Q 41 (40) jump= -0.998693 0.00444438 0.0508494 0.00269186 11.2475 18.0999 17.9003 # Removing break before 54 # jumping subtree containing T0136:Q 41 (40) jump= 0.72597 -0.317579 0.515104 -0.326771 -25.3819 -59.7917 -76.1594 # jumping subtree containing T0136:D 60 (59) jump= 0.854308 0.101019 0.373382 -0.347187 25.8902 -31.2296 -16.197 # jumping subtree containing T0136:A 1 (0) jump= 0.567911 0.560176 -0.411495 0.440853 -33.2775 -59.0841 0.472065 # jumping subtree containing T0136:D 60 (59) jump= 0.491766 -0.326729 0.676533 0.440133 -74.8794 -32.3324 4.44902 # jumping subtree containing T0136:G 42 (41) jump= -0.339336 -0.652746 0.453226 0.503348 -57.2246 -87.053 25.8293 # jumping subtree containing T0136:D 60 (59) jump= -0.499567 0.569385 -0.650997 -0.0493646 -32.6761 -48.5561 -65.7468 # jumping subtree containing T0136:Q 41 (40) jump= 0.831535 0.0295695 0.343416 0.435592 -40.767 31.1531 14.9178 # jumping subtree containing T0136:Q 24 (23) jump= -0.980536 -0.145079 -0.0588356 0.11849 16.9191 -14.0775 28.9603 # generation 71: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.674 cost/residue, 137 clashes 0.0378483 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 101 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 362 ## OptSubtree 1001 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.830336 -0.535105 -0.14387 -0.059208 -12.2151 -50.2222 16.107 # jumping subtree containing T0136:D 60 (59) jump= 0.505256 -0.707931 -0.443911 -0.215623 43.8721 -23.4729 -38.5638 # jumping subtree containing T0136:D 60 (59) jump= -0.816506 -0.311987 -0.291973 -0.388244 -27.6643 -13.3669 30.7985 # jumping subtree containing T0136:K 43 (42) jump= 0.997479 0.01104 0.0685553 -0.0146315 7.37842 7.25504 -12.5489 # jumping subtree containing T0136:D 60 (59) jump= 0.996625 0.00154203 -0.0605701 -0.0553856 1.26943 -8.40138 -0.530018 # jumping subtree containing T0136:A 1 (0) jump= -0.0335633 -0.50575 -0.826541 0.244787 -20.6651 7.72923 -47.5129 # jumping subtree containing T0136:Q 41 (40) jump= -0.999952 0.00627213 -0.00617599 -0.00420487 6.59953 -4.03373 -16.3685 # jumping subtree containing T0136:D 60 (59) jump= -0.999419 -0.0128394 0.0114209 0.0294272 -22.696 -1.34885 -11.614 # jumping subtree containing T0136:Q 41 (40) jump= 0.986105 -0.134256 -0.0250734 0.0945716 -22.6755 15.3458 3.73473 # generation 72: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.674 cost/residue, 137 clashes 0.0378483 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 101 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 368 ## OptSubtree 1022 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.0934011 -0.278247 0.40914 0.863979 -92.8615 -57.6891 -2.42402 # jumping subtree containing T0136:D 60 (59) jump= -0.379033 0.217567 0.894077 0.0981099 -25.6478 11.7798 -21.5619 # jumping subtree containing T0136:Q 41 (40) jump= -0.0249498 -0.697234 0.658123 0.283049 -58.7839 -68.6869 12.5358 # jumping subtree containing T0136:Q 41 (40) jump= -0.860545 -0.0854151 0.0609371 -0.49845 -50.0749 15.6189 33.3605 # jumping subtree containing T0136:N 3 (2) jump= 0.0228973 -0.221235 0.407017 0.885928 -33.4125 -45.5867 9.79666 # jumping subtree containing T0136:D 60 (59) jump= 0.986854 0.0308113 0.0582404 0.147576 -21.8523 -15.3575 2.18057 # jumping subtree containing T0136:V 25 (24) jump= -0.206829 -0.922577 -0.312671 -0.0911573 -13.1274 -36.759 23.085 # generation 73: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.674 cost/residue, 137 clashes 0.0378483 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 102 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 377 ## OptSubtree 1036 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.695645 0.500861 -0.461232 0.229087 5.15944 -46.8831 -68.863 # jumping subtree containing T0136:D 60 (59) jump= 0.0518725 -0.241605 0.0439342 0.967991 -49.511 -115.64 -9.34334 # jumping subtree containing T0136:D 55 (54) jump= -0.630972 -0.152835 -0.737216 0.187157 -7.81715 -20.5719 -48.1203 # jumping subtree containing T0136:D 55 (54) jump= 0.954311 0.0349614 0.191152 0.226999 -5.86485 -10.0548 3.04662 # jumping subtree containing T0136:D 55 (54) jump= 0.999445 0.0305425 -0.00682879 -0.0114487 9.34339 15.7187 23.5695 # jumping subtree containing T0136:Q 41 (40) jump= -0.497609 -0.122413 0.596616 0.617616 3.85685 14.7978 -27.8533 # jumping subtree containing T0136:D 60 (59) jump= 0.990107 0.00150025 0.045619 -0.13268 -4.76182 10.5446 -19.4878 # jumping subtree containing T0136:Q 41 (40) jump= -0.950775 -0.243509 -0.131332 0.139581 7.03151 -13.2577 24.0967 # generation 74: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.674 cost/residue, 137 clashes 0.0378483 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 104 ## CrossAndInsert 24 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 380 ## OptSubtree 1055 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.962941 -0.140279 -0.0275173 -0.228713 -11.0363 10.5082 9.11357 # jumping subtree containing T0136:N 5 (4) jump= 0.157326 0.735479 0.462899 0.469089 21.433 -54.8962 22.9306 # jumping subtree containing T0136:F 59 (58) jump= 0.998945 0.0449737 0.00927865 -7.78679e-05 0.953156 -6.02217 -21.2844 # jumping subtree containing T0136:D 60 (59) jump= -0.687283 -0.340297 -0.618054 0.172773 32.0656 -10.4474 -29.3581 # generation 75: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.65 cost/residue, 134 clashes 0.0378482 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 104 ## CrossAndInsert 25 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 387 ## OptSubtree 1071 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:Q 41 (40) jump= 0.59425 -0.467533 0.269624 0.596308 -75.4314 -27.9958 -55.4131 # jumping subtree containing T0136:Q 41 (40) jump= 0.511872 -0.190067 0.491581 -0.678387 49.3657 -57.2292 -31.5238 # jumping subtree containing T0136:D 60 (59) jump= 0.965139 0.131512 0.180937 -0.135915 22.0908 -4.17213 -1.35902 # jumping subtree containing T0136:Q 41 (40) jump= 0.980102 0.0625933 0.135708 0.130633 -0.585909 2.66207 -9.38949 # jumping subtree containing T0136:D 60 (59) jump= 0.920592 0.313743 -0.193602 -0.128815 3.58451 -28.4231 43.2495 # jumping subtree containing T0136:A 1 (0) jump= -0.640202 0.352361 0.366106 0.57615 36.1351 -56.3406 -1.71968 # jumping subtree containing T0136:Q 41 (40) jump= -0.0317874 0.334839 0.908724 -0.247172 -55.8349 22.014 -9.30439 # jumping subtree containing T0136:D 55 (54) jump= 0.972305 0.135344 -0.00144224 -0.190531 27.8898 -14.3085 23.9238 # jumping subtree containing T0136:Q 41 (40) jump= -0.551557 -0.64018 0.523206 -0.110496 -46.8254 -47.2513 57.7606 # jumping subtree containing T0136:Q 41 (40) jump= -0.349965 -0.249939 0.902246 0.0317373 -19.3362 5.13571 -61.8729 # jumping subtree containing T0136:Q 41 (40) jump= -0.927863 -0.07714 0.329879 -0.155885 -1.7707 18.589 38.5206 # generation 76: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.65 cost/residue, 134 clashes 0.0378482 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 104 ## CrossAndInsert 25 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 391 ## OptSubtree 1091 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.2892 0.0630955 -0.746708 0.595658 -19.3326 -43.2049 -43.882 # Removing break before 54 # jumping subtree containing T0136:Q 41 (40) jump= -0.872238 -0.082058 -0.29718 0.379673 -8.66483 -24.5118 -15.9741 # jumping subtree containing T0136:Q 41 (40) jump= -0.950508 -0.0862356 -0.1907 -0.229635 -7.9264 -11.8772 37.3411 # jumping subtree containing T0136:D 60 (59) jump= -0.993146 0.0709254 -0.00677723 -0.0926522 1.69765 -9.36862 0.623112 # Removing break before 54 # jumping subtree containing T0136:Q 22 (21) jump= -0.675595 -0.632328 0.374624 -0.0582147 -55.9343 -67.5764 15.8827 # jumping subtree containing T0136:Q 41 (40) jump= 0.957271 0.0307607 0.0409248 0.284623 -31.6167 -0.24187 22.4855 # generation 77: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.65 cost/residue, 134 clashes 0.037848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 104 ## CrossAndInsert 25 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 399 ## OptSubtree 1113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.67026 -0.25526 0.6488 -0.254268 -72.0271 -21.1221 9.0345 # Removing break before 54 # Removing break before 54 # jumping subtree containing T0136:D 60 (59) jump= -0.845753 0.0140881 0.254905 0.468537 -32.5186 -34.4074 40.1969 # jumping subtree containing T0136:Q 41 (40) jump= -0.410857 -0.403164 0.589677 0.566513 -57.7894 -70.2806 28.3197 # jumping subtree containing T0136:R 15 (14) jump= -0.6443 -0.406427 0.580619 -0.287361 -76.1987 -5.73699 99.1172 # generation 78: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.65 cost/residue, 134 clashes 0.037848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 105 ## CrossAndInsert 25 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 402 ## OptSubtree 1133 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.700029 0.628377 -0.14767 0.305444 -6.00867 -37.6567 48.7718 # jumping subtree containing T0136:V 62 (61) jump= 0.820299 -0.238938 -0.412971 -0.315393 -6.561 -24.9321 37.2896 # jumping subtree containing T0136:D 60 (59) jump= 0.704125 0.511034 0.194289 0.453104 -45.2852 23.2885 38.7796 # jumping subtree containing T0136:Q 41 (40) jump= -0.675258 0.67692 0.251379 -0.150379 -5.61217 15.547 1.20969 # jumping subtree containing T0136:R 33 (32) jump= -0.998177 -0.0406524 0.0143029 0.0422513 -27.7224 -1.90871 8.94316 # jumping subtree containing T0136:D 60 (59) jump= -0.339898 0.751413 -0.439963 -0.35536 -38.7256 -35.0189 -48.0926 # jumping subtree containing T0136:D 60 (59) jump= 0.951007 -0.130589 0.167412 0.224733 -37.4948 11.7182 -18.5139 # jumping subtree containing T0136:G 74 (73) jump= -0.0515203 -0.428866 0.778173 0.455924 -98.3934 -77.2381 49.5736 # jumping subtree containing T0136:D 55 (54) jump= 0.215663 0.355711 -0.546941 0.726508 -50.4532 -77.8924 -17.9209 # jumping subtree containing T0136:Q 41 (40) jump= 0.04434 -0.407615 -0.808906 0.421372 -89.9046 7.24351 -15.3164 # generation 79: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.487 cost/residue, 128 clashes 0.037848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 107 ## CrossAndInsert 25 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 406 ## OptSubtree 1150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.928433 -0.0858679 -0.24173 -0.26871 -4.51696 -19.1689 48.796 # jumping subtree containing T0136:Q 22 (21) jump= -0.376325 -0.112838 -0.77508 0.494871 -96.8667 -10.7377 -1.59163 # jumping subtree containing T0136:D 55 (54) jump= 0.810008 -0.2391 0.497069 -0.199098 -28.9844 -42.761 -31.0475 # jumping subtree containing T0136:F 59 (58) jump= -0.834101 0.46529 0.0345958 -0.294252 13.8671 11.4225 -29.1878 # jumping subtree containing T0136:Q 41 (40) jump= 0.63668 0.440495 0.233742 -0.58819 17.4287 -57.9095 2.34405 # jumping subtree containing T0136:G 74 (73) jump= 0.219857 -0.36272 -0.0191241 -0.90539 -3.29718 -83.5999 12.2452 # jumping subtree containing T0136:Q 41 (40) jump= -0.969218 0.116735 -0.216676 0.00636213 -23.177 -19.0165 -46.978 # jumping subtree containing T0136:A 1 (0) jump= -0.920538 -0.0458962 0.119807 0.368984 -5.86969 -48.7193 8.9697 # jumping subtree containing T0136:A 1 (0) jump= 0.341266 -0.16604 0.753058 -0.537469 -116.328 -41.514 -32.2748 # jumping subtree containing T0136:A 1 (0) jump= 0.115108 -0.0039934 0.0539887 -0.991877 -119.568 -44.1802 -17.6515 # jumping subtree containing T0136:Q 22 (21) jump= -0.733065 0.171271 0.594098 0.283424 -19.2695 -26.1627 56.2862 # jumping subtree containing T0136:A 1 (0) jump= -0.92041 0.148392 -0.358673 0.0466828 -21.2879 0.567193 -28.5237 # jumping subtree containing T0136:T 45 (44) jump= 0.995579 0.0143381 0.079796 -0.0474377 0.0482028 -25.7503 12.9809 # generation 80: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.487 cost/residue, 128 clashes 0.0378482 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 107 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 412 ## OptSubtree 1168 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.735412 -0.485246 0.461857 -0.101946 -21.7841 -11.6642 42.2501 # jumping subtree containing T0136:D 55 (54) jump= -0.643106 -0.718607 0.263272 -0.0265806 -7.80539 -11.958 51.9386 # jumping subtree containing T0136:D 60 (59) jump= -0.329124 0.637592 -0.465045 -0.518544 -63.7775 -75.8995 -0.777067 # jumping subtree containing T0136:D 60 (59) jump= 0.991976 -0.0158803 0.125209 0.00729532 -13.9587 -3.46066 2.90886 # jumping subtree containing T0136:R 49 (48) jump= 0.489403 0.783713 -0.308094 0.226621 -20.6032 -3.08961 94.5166 # jumping subtree containing T0136:M 75 (74) jump= 0.999853 0.00573165 -0.0114622 0.0114301 -10.4787 -8.84752 13.4469 # jumping subtree containing T0136:D 60 (59) jump= 0.961268 -0.178944 -0.110905 -0.177887 -11.9459 -36.1953 6.69943 # jumping subtree containing T0136:V 35 (34) jump= -0.786494 0.532011 0.136644 0.282348 10.5833 -20.484 19.3137 # jumping subtree containing T0136:Q 41 (40) jump= -0.00422227 0.423945 -0.0649059 -0.903349 -81.8165 -44.0316 -43.7964 # jumping subtree containing T0136:D 55 (54) jump= -0.312401 0.75949 0.470156 -0.323317 -15.6165 43.625 19.7861 # jumping subtree containing T0136:Q 41 (40) jump= -0.488392 0.0813654 -0.859851 -0.124534 -77.2142 -10.6432 -33.5692 # jumping subtree containing T0136:D 60 (59) jump= 0.356641 0.0533549 0.71978 -0.593192 -85.6334 -9.736 1.18945 # generation 81: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.487 cost/residue, 128 clashes 0.037848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 107 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 421 ## OptSubtree 1191 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:D 55 (54) jump= 0.0976962 0.0558385 0.816762 0.565894 -108.733 4.95061 21.6858 # Removing break before 54 # jumping subtree containing T0136:E 21 (20) jump= -0.138021 0.750524 0.177406 0.621443 -81.5046 -61.7978 84.6468 # jumping subtree containing T0136:D 60 (59) jump= 0.999023 0.03653 0.0215707 -0.0123812 17.3287 -11.7718 -9.51029 # jumping subtree containing T0136:Q 22 (21) jump= 0.785932 0.362542 -0.499091 -0.0422162 -58.0745 -48.2802 58.1132 # generation 82: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4831 cost/residue, 128 clashes 0.037848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 111 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 425 ## OptSubtree 1207 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.944943 0.0788137 -0.263146 -0.177836 -49.8051 8.17417 -25.6678 # Removing break before 54 # Removing break before 54 # jumping subtree containing T0136:G 74 (73) jump= -0.999396 0.0260563 0.0103054 -0.0205402 12.4722 17.6994 19.0556 # Removing break before 54 # jumping subtree containing T0136:D 55 (54) jump= -0.34194 -0.23378 -0.676164 0.609284 -85.503 -48.6723 -46.0254 # jumping subtree containing T0136:M 75 (74) jump= -0.0930324 -0.198406 0.877106 -0.427393 -135.752 -25.3553 -1.65813 # jumping subtree containing T0136:L 8 (7) jump= 0.765819 0.129541 -0.0232017 0.629445 -40.5913 37.8784 -0.357397 # generation 83: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4831 cost/residue, 128 clashes 0.0378481 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 114 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 428 ## OptSubtree 1227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.0923573 -0.894779 -0.166906 0.403711 0.773296 -21.1597 1.84721 # jumping subtree containing T0136:L 8 (7) jump= 0.950715 -0.150347 0.270619 0.017396 -11.6337 15.5703 -37.7836 # Removing break before 54 # jumping subtree containing T0136:D 55 (54) jump= -0.264095 0.60081 -0.532286 -0.534746 -55.2646 -77.6618 0.769571 # jumping subtree containing T0136:D 60 (59) jump= -0.850415 -0.311003 -0.409803 -0.110151 -18.5991 32.6047 -26.5611 # jumping subtree containing T0136:Q 41 (40) jump= 0.999323 -0.0138697 -0.0325708 -0.00999943 0.119029 14.232 -3.77642 # Removing break before 54 # generation 84: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.483 cost/residue, 128 clashes 0.0378479 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 116 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 435 ## OptSubtree 1251 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.959483 -0.179894 0.0602509 0.208329 -3.82303 2.47576 14.6194 # jumping subtree containing T0136:Q 22 (21) jump= 0.994357 -0.105282 0.00627611 0.0114419 14.8446 -12.2348 -21.4829 # jumping subtree containing T0136:D 60 (59) jump= -0.405215 -0.315787 0.497924 -0.698679 -144.29 5.656 52.5032 # jumping subtree containing T0136:D 55 (54) jump= -0.980903 -0.146164 -0.126197 -0.0232272 4.88806 -18.2235 -4.80162 # jumping subtree containing T0136:D 55 (54) jump= 0.999351 0.0300315 0.0169071 -0.0104586 -27.4314 -1.18696 -13.179 # jumping subtree containing T0136:D 60 (59) jump= -0.380488 0.0825721 0.903426 0.179531 -101.588 3.63156 68.8527 # jumping subtree containing T0136:A 1 (0) jump= -0.986588 0.0649256 0.0483514 0.141745 8.3694 -35.8726 9.71312 # jumping subtree containing T0136:D 60 (59) jump= -0.311844 0.928992 -0.181402 -0.0825859 -6.15391 -80.2968 -11.514 # jumping subtree containing T0136:A 1 (0) jump= 0.98608 -0.0951128 0.0876985 -0.104449 -9.37219 -7.94456 -8.70104 # generation 85: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.483 cost/residue, 128 clashes 0.0378479 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 119 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 440 ## OptSubtree 1269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.284203 0.131445 0.806199 -0.50199 -91.2468 -5.72545 -58.7137 # jumping subtree containing T0136:A 78 (77) jump= 0.157156 -0.19465 -0.874165 -0.416231 -78.3643 -1.84793 43.2144 # jumping subtree containing T0136:D 60 (59) jump= -0.630702 0.379681 -0.512882 -0.441599 -98.279 -59.0758 -16.0583 # jumping subtree containing T0136:Q 22 (21) jump= 0.801216 -0.0667491 0.591415 0.061851 -86.5406 -0.58567 -11.0979 # jumping subtree containing T0136:D 60 (59) jump= 0.95583 0.00789832 0.150329 0.252445 -47.8027 30.3536 -15.0973 # jumping subtree containing T0136:Q 22 (21) jump= -0.0127473 0.106607 -0.217193 0.970206 -158.301 -46.1393 7.6303 # jumping subtree containing T0136:Q 41 (40) jump= -0.0160752 0.599981 0.619325 0.506163 -64.2353 44.4136 67.0052 # jumping subtree containing T0136:Q 22 (21) jump= 0.97593 0.0770085 0.112685 0.170097 1.06424 16.6373 -10.7871 # jumping subtree containing T0136:A 1 (0) jump= -0.961696 -0.127006 -0.0797865 -0.229446 -27.5141 39.3826 -20.1369 # generation 86: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.483 cost/residue, 128 clashes 0.0378481 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 120 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 444 ## OptSubtree 1288 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:D 55 (54) jump= -0.259599 0.153435 -0.104734 -0.94768 -106.86 11.7884 -33.261 # jumping subtree containing T0136:D 60 (59) jump= -0.954255 -0.0413519 0.253173 0.153595 -9.79209 -29.2294 49.9052 # jumping subtree containing T0136:D 60 (59) jump= -0.401753 -0.424455 0.272701 -0.764243 -116.485 -20.9982 50.3775 # jumping subtree containing T0136:Q 41 (40) jump= -0.154265 -0.606629 -0.360189 0.691714 -76.4512 -38.3711 -65.4311 # jumping subtree containing T0136:D 60 (59) jump= 0.430954 0.811631 0.389434 0.0622421 -36.5423 45.6907 53.7606 # jumping subtree containing T0136:Q 41 (40) jump= 0.987393 0.0235361 -0.13384 -0.0811686 24.4218 -11.3897 28.5112 # jumping subtree containing T0136:A 1 (0) jump= 0.496816 0.459668 0.0290895 -0.735549 -28.9755 -83.6132 -34.364 # jumping subtree containing T0136:D 60 (59) jump= 0.322057 -0.118858 0.806849 -0.480776 -138.217 -48.7299 -55.5717 # jumping subtree containing T0136:L 8 (7) jump= 0.946384 0.235973 0.0562502 0.213333 -10.7231 42.0866 -9.6906 # jumping subtree containing T0136:Q 41 (40) jump= -0.551287 -0.705873 -0.415456 -0.158817 -22.0535 12.3275 18.3566 # jumping subtree containing T0136:Q 22 (21) jump= 0.82619 0.552986 -0.102578 -0.033083 -9.79462 15.9658 57.841 # jumping subtree containing T0136:Q 41 (40) jump= 0.0786178 -0.755998 0.378584 -0.528167 -79.5557 -62.3123 35.6083 # jumping subtree containing T0136:D 60 (59) jump= 0.798657 0.543684 0.179179 -0.185603 5.412 0.201903 24.8663 # generation 87: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378479 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 122 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 446 ## OptSubtree 1308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.913263 -0.0241808 -0.371969 0.164333 -26.0597 -15.1855 -17.5599 # jumping subtree containing T0136:D 60 (59) jump= -0.710009 -0.560361 0.416942 0.0896791 -27.682 -55.9504 57.8022 # jumping subtree containing T0136:Q 41 (40) jump= -0.0860071 -0.658317 0.427665 -0.613453 -97.4532 -93.7795 53.9432 # jumping subtree containing T0136:A 1 (0) jump= -0.458457 -0.453258 0.716008 -0.267781 -66.979 -30.7099 71.163 # jumping subtree containing T0136:S 40 (39) jump= -0.853753 -0.0875303 0.452213 -0.242792 -72.8715 6.47217 56.5008 # jumping subtree containing T0136:Q 41 (40) jump= 0.342363 0.0957155 -0.227474 -0.906577 -115.635 -64.9229 13.5558 # jumping subtree containing T0136:Q 41 (40) jump= -0.998667 0.0148204 -0.0277423 0.0409302 10.0836 -12.2463 7.11839 # jumping subtree containing T0136:Q 41 (40) jump= -0.78866 0.266521 -0.375159 0.407722 -35.1979 -45.7275 -39.4356 # jumping subtree containing T0136:D 60 (59) jump= -0.154582 -0.0105661 -0.885314 -0.438419 -125.21 -6.67741 45.2404 # jumping subtree containing T0136:A 1 (0) jump= -0.573562 -0.0171731 0.0463002 0.817673 -77.5241 -73.7575 3.94573 # jumping subtree containing T0136:D 60 (59) jump= 0.654495 -0.00315509 0.214079 -0.725119 -19.7312 -25.0169 -9.38419 # generation 88: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378479 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 122 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 453 ## OptSubtree 1333 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.494783 0.648128 -0.475277 0.330501 -93.9517 -56.3288 96.0211 # jumping subtree containing T0136:Q 41 (40) jump= 0.737105 -0.500335 0.113135 0.439934 -48.2203 27.0642 -71.5605 # jumping subtree containing T0136:K 7 (6) jump= -0.932556 -0.218318 -0.0410692 0.284588 2.92515 -45.8804 -1.3513 # jumping subtree containing T0136:D 60 (59) jump= -0.231447 0.878506 -0.353673 0.222654 -67.5916 -117.907 39.4297 # jumping subtree containing T0136:L 8 (7) jump= -0.507574 0.368107 0.622186 -0.468775 -54.6194 39.1963 -10.1855 # Removing break before 40 # jumping subtree containing T0136:D 60 (59) jump= -0.999483 -0.00810945 0.0187197 0.0248541 -20.4345 1.2309 2.91143 # jumping subtree containing T0136:L 8 (7) jump= -0.62896 -0.550514 -0.145216 -0.529392 -52.083 26.5552 38.3038 # jumping subtree containing T0136:D 60 (59) jump= -0.16622 0.54231 0.677041 0.46892 -77.1956 -22.9897 83.4296 # jumping subtree containing T0136:D 55 (54) jump= 0.760445 -0.116045 -0.0419475 0.637572 -76.3691 39.4762 -19.2407 # Removing break before 54 # generation 89: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378479 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 122 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 459 ## OptSubtree 1351 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= -0.680068 -0.235488 -0.43352 -0.542322 -86.24 11.7334 19.6134 # jumping subtree containing T0136:Q 41 (40) jump= -0.443831 -0.626111 0.53395 0.354819 -54.1355 -67.6108 35.964 # jumping subtree containing T0136:Q 41 (40) jump= 0.320168 -0.750434 0.512096 0.268512 -51.4259 -64.965 -68.5043 # jumping subtree containing T0136:D 60 (59) jump= 0.730233 -0.0529233 -0.582943 0.35233 -93.086 47.662 30.9129 # jumping subtree containing T0136:D 60 (59) jump= 0.981213 -0.188198 -0.00196947 0.0424145 -4.12524 -21.6198 -15.3332 # jumping subtree containing T0136:D 60 (59) jump= -0.981729 0.16486 -0.0454068 -0.083476 -27.6281 -15.2256 -30.9165 # jumping subtree containing T0136:K 77 (76) jump= 0.982723 0.0311599 -0.00165119 -0.182431 13.7266 -16.4744 -9.88912 # generation 90: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378479 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 125 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 462 ## OptSubtree 1369 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.998824 0.015203 -0.0373454 -0.0269214 -1.0112 1.42829 -32.7435 # jumping subtree containing T0136:D 60 (59) jump= -0.834492 -0.192097 -0.376234 -0.353793 -50.7337 43.3217 -5.05529 # jumping subtree containing T0136:Q 41 (40) jump= 0.501011 0.70552 0.457453 -0.204859 -25.0915 -9.01631 -51.4468 # jumping subtree containing T0136:D 55 (54) jump= -0.753597 0.547069 -0.0636284 0.358828 -14.8911 -90.7296 21.3254 # jumping subtree containing T0136:D 55 (54) jump= -0.0597325 0.7902 0.0784155 -0.604869 -42.121 -20.1804 -31.93 # jumping subtree containing T0136:D 60 (59) jump= -0.951998 0.0394023 0.298769 0.0537119 7.10265 -6.89963 33.1458 # jumping subtree containing T0136:Q 41 (40) jump= -0.646377 0.723201 0.222251 -0.0989013 -9.9781 20.2803 -19.5794 # Removing break before 54 # jumping subtree containing T0136:A 46 (45) jump= -0.890702 0.0447173 0.296772 0.341433 -23.7263 -61.4115 37.9535 # jumping subtree containing T0136:D 60 (59) jump= -0.0783042 -0.0162307 0.943618 -0.321233 -134.986 29.0347 25.2839 # generation 91: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378479 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 128 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 468 ## OptSubtree 1384 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.461081 -0.222238 0.769883 -0.381175 -77.418 -45.5798 -48.4567 # jumping subtree containing T0136:Q 41 (40) jump= -0.819239 0.21456 0.364648 -0.387097 -46.4152 12.5703 14.0584 # jumping subtree containing T0136:G 31 (30) jump= -0.711314 0.143381 0.584481 0.36312 -23.9556 -51.1448 59.7754 # jumping subtree containing T0136:A 1 (0) jump= 0.131746 -0.738781 0.460031 -0.474571 -70.4994 -70.7555 31.4932 # jumping subtree containing T0136:D 60 (59) jump= 0.249937 -0.613655 -0.601424 0.446372 -23.1994 9.33354 -24.1488 # jumping subtree containing T0136:A 1 (0) jump= -0.993419 0.0736562 -0.0289926 -0.0827799 4.52076 8.78524 6.37942 # jumping subtree containing T0136:D 60 (59) jump= -0.176101 -0.383333 -0.893666 -0.15299 -95.1838 33.4715 65.4417 # generation 92: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.037848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 133 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 469 ## OptSubtree 1402 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.99173 0.0146698 -0.0343379 0.12279 -5.08359 21.8593 -21.9697 # jumping subtree containing T0136:D 60 (59) jump= 0.831261 0.0207616 0.540163 -0.129605 -43.2133 -4.47235 -45.1946 # jumping subtree containing T0136:Q 41 (40) jump= 0.700653 -0.421201 -0.498425 0.288527 -6.96934 24.0832 32.2363 # jumping subtree containing T0136:R 33 (32) jump= 0.650221 0.0799697 -0.175243 -0.73492 -32.5738 -114.352 33.6898 # jumping subtree containing T0136:L 8 (7) jump= -0.379637 -0.766477 0.0702177 -0.513282 -93.4801 -32.5319 105.534 # jumping subtree containing T0136:Q 22 (21) jump= -0.998912 -0.00394691 0.0388567 0.0254955 6.60778 2.81961 29.8787 # jumping subtree containing T0136:A 1 (0) jump= 0.806596 -0.116712 0.575034 -0.0715368 -95.2819 -9.33813 -82.6586 # jumping subtree containing T0136:D 60 (59) jump= 0.649441 0.670188 0.0901578 0.347773 -54.5315 -13.6449 77.8925 # jumping subtree containing T0136:Q 41 (40) jump= -0.888599 -0.414447 -0.0870532 -0.176201 -14.5421 -6.43638 19.8578 # generation 93: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378478 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 138 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 473 ## OptSubtree 1417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.0561989 0.470801 -0.845382 -0.246003 -108.128 -72.6741 67.3853 # jumping subtree containing T0136:D 60 (59) jump= -0.987836 -0.0089612 -0.0350379 0.151233 -15.2111 -10.2558 -4.46749 # jumping subtree containing T0136:D 60 (59) jump= 0.0505333 -0.130588 0.442983 0.885527 -134.816 -104.383 36.9562 # jumping subtree containing T0136:A 1 (0) jump= 0.238504 -0.0916713 0.095879 -0.962039 -143.146 -93.4731 28.4158 # jumping subtree containing T0136:D 60 (59) jump= -0.924579 -0.126508 0.241128 0.266471 16.7301 -23.4171 51.842 # jumping subtree containing T0136:D 60 (59) jump= -0.921351 0.0821539 -0.30917 -0.220856 -61.3004 25.4307 -26.4076 # generation 94: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378478 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 141 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 474 ## OptSubtree 1437 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.64224 0.528958 0.508154 -0.222511 -62.9047 32.1762 -30.6691 # jumping subtree containing T0136:N 52 (51) jump= 0.688853 0.387755 0.373814 0.485171 -96.0455 75.6061 26.149 # jumping subtree containing T0136:D 55 (54) jump= -0.68895 0.282275 0.468125 0.47595 -30.1018 -72.2653 93.3515 # jumping subtree containing T0136:D 55 (54) jump= -0.933775 0.193967 0.300493 0.0120306 -1.59103 -4.04879 17.6018 # jumping subtree containing T0136:V 79 (78) jump= -0.351244 -0.30886 -0.518423 0.71587 -73.6893 -35.5753 -72.5258 # jumping subtree containing T0136:K 77 (76) jump= -0.90855 -0.210699 0.295421 0.207048 0.84501 -21.6536 28.1137 # jumping subtree containing T0136:D 55 (54) jump= 0.410551 0.290678 0.797341 0.333469 -159.111 21.9415 17.6652 # jumping subtree containing T0136:A 1 (0) jump= 0.95356 -0.056189 0.245163 -0.165716 -0.167566 -13.6353 -15.7254 # jumping subtree containing T0136:D 60 (59) jump= 0.703641 0.618029 -0.341339 -0.0801057 -26.0798 -13.5456 89.6902 # jumping subtree containing T0136:M 75 (74) jump= -0.650758 -0.0333668 0.716453 -0.249191 -83.3388 11.5207 82.9798 # jumping subtree containing T0136:L 8 (7) jump= 0.772077 0.136041 0.554445 0.27925 -73.0006 46.3738 -11.2761 # generation 95: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378478 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 144 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 477 ## OptSubtree 1455 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= 0.893952 -0.145177 -0.301111 0.298506 -13.7927 23.4534 10.2695 # jumping subtree containing T0136:Q 22 (21) jump= -0.999551 -0.0011386 -0.00666982 0.0291907 1.63437 5.87976 -5.7713 # jumping subtree containing T0136:D 60 (59) jump= 0.856431 0.474276 -0.133644 -0.154036 -11.6457 -4.7276 37.8257 # jumping subtree containing T0136:N 52 (51) jump= 0.96235 0.231297 0.139794 0.0290229 -6.82835 38.1152 10.7996 # jumping subtree containing T0136:Q 22 (21) jump= 0.761378 0.463628 0.14251 -0.430167 -19.5028 -50.1453 -19.8193 # jumping subtree containing T0136:D 60 (59) jump= -0.982858 0.183292 -0.0122499 -0.0156593 -22.8955 -32.9785 -9.58835 # jumping subtree containing T0136:D 60 (59) jump= 0.954473 0.186818 0.185575 0.140149 -41.7673 51.339 -21.8818 # jumping subtree containing T0136:Q 22 (21) jump= 0.981725 0.116141 0.0586453 -0.138882 -2.85641 0.160477 8.21583 # jumping subtree containing T0136:Q 22 (21) jump= -0.37006 0.0974328 0.892428 -0.23903 -114.12 24.7325 19.9298 # jumping subtree containing T0136:Q 22 (21) jump= 0.386145 0.248536 0.801773 0.382467 -105.921 38.3287 -11.6645 # jumping subtree containing T0136:Q 22 (21) jump= -0.771127 0.465189 -0.416585 0.124178 -52.2363 -73.7534 -29.6619 # generation 96: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4829 cost/residue, 128 clashes 0.0378478 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 149 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 477 ## OptSubtree 1474 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:Q 22 (21) jump= 0.789143 -0.132775 -0.169349 0.575278 -65.4124 46.1164 -21.9806 # Removing break before 54 # jumping subtree containing T0136:Q 22 (21) jump= 0.63491 0.604983 0.389155 0.281856 -32.3486 69.8718 39.9561 # jumping subtree containing T0136:D 60 (59) jump= -0.867317 0.16573 -0.182661 0.432354 -39.9585 -99.1755 -24.1026 # jumping subtree containing T0136:Q 22 (21) jump= 0.987184 0.100575 -0.0070162 0.123705 -4.16615 9.97149 27.4076 # jumping subtree containing T0136:Q 22 (21) jump= 0.940446 0.0393928 -0.280124 0.188523 -41.2986 22.1169 45.8638 # Removing break before 40 # jumping subtree containing T0136:Q 22 (21) jump= -0.738905 -0.274958 -0.0895773 -0.6086 -98.4979 51.9859 19.6318 # jumping subtree containing T0136:Q 22 (21) jump= -0.994348 0.00597751 -0.0881155 -0.0589271 -21.9075 9.56931 -19.8648 # jumping subtree containing T0136:G 30 (29) jump= 0.0429286 0.812353 0.0770626 0.576456 -97.1116 -44.5684 110.601 # generation 97: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.3474 cost/residue, 126 clashes 0.0278924 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 151 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 477 ## OptSubtree 1495 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.155883 0.132103 0.47448 -0.856223 -126.297 27.8501 -9.22262 # jumping subtree containing T0136:D 60 (59) jump= -0.343783 -0.879958 -0.327106 0.0221128 -8.80058 46.7802 58.109 # jumping subtree containing T0136:D 60 (59) jump= 0.999935 -0.00402443 -0.00921216 -0.00544264 11.6663 -23.2375 11.7327 # Removing break before 54 # jumping subtree containing T0136:D 60 (59) jump= -0.443148 0.645355 -0.621274 -0.0339842 -110.969 -105.26 -6.76545 # jumping subtree containing T0136:Q 22 (21) jump= 0.992161 -0.046165 -0.0466227 0.106356 -11.471 8.91339 27.5025 # Removing break before 50 # jumping subtree containing T0136:Q 22 (21) jump= -0.999465 -0.0304011 -0.00317459 -0.0116332 -14.5614 -0.0601466 -17.596 # generation 98: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.3406 cost/residue, 126 clashes 0.0278923 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 154 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 478 ## OptSubtree 1515 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 51 (50) jump= 0.998933 -0.032601 0.00093798 0.0327096 20.5332 -4.43668 11.6506 # jumping subtree containing T0136:Q 22 (21) jump= -0.991166 -0.106122 -0.0787084 -0.0115396 -30.0389 17.8863 -8.82695 # jumping subtree containing T0136:D 60 (59) jump= -0.484324 0.255612 0.649247 0.527799 -62.6503 -50.2142 120.604 # jumping subtree containing T0136:D 60 (59) jump= 0.632171 -0.630189 -0.399104 -0.209613 -17.6088 -23.4184 67.289 # jumping subtree containing T0136:V 80 (79) jump= -0.69258 0.0724469 -0.559215 0.449848 -56.4624 -77.3264 -70.5899 # generation 99: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.3363 cost/residue, 126 clashes 0.0278925 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 154 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 483 ## OptSubtree 1543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= 0.239822 -0.519284 0.563904 -0.595686 -120.845 -110.454 42.4943 # jumping subtree containing T0136:L 8 (7) jump= -0.629828 -0.541849 -0.442328 0.337731 -47.0869 0.838033 -38.2218 # jumping subtree containing T0136:Q 41 (40) jump= -0.162399 -0.558505 -0.410465 0.702294 -85.2666 -20.6835 -88.5602 # jumping subtree containing T0136:Q 22 (21) jump= 0.0478732 0.673533 -0.72156 0.15301 -126.728 -85.2035 40.5819 # jumping subtree containing T0136:L 8 (7) jump= -0.210778 -0.0544826 0.874066 0.434296 -176.574 -41.0388 82.9791 # jumping subtree containing T0136:R 15 (14) jump= 0.561783 0.232797 -0.724551 -0.324394 -112.501 -58.7934 58.0473 # jumping subtree containing T0136:Q 41 (40) jump= -0.477487 0.0784685 -0.700397 0.524683 -146.902 -68.0044 -39.6434 # generation 100: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.3363 cost/residue, 126 clashes 0.0278925 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 76 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 157 ## CrossAndInsert 25 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 495 ## OptSubtree 1564 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1603443065.pdb -s /projects/compbio/tmp/to_scwrl_1603443065.seq -o /projects/compbio/tmp/from_scwrl_1603443065.pdb -a /projects/compbio/tmp/from_scwrl_1603443065_a.pdb -b /projects/compbio/tmp/from_scwrl_1603443065_b.pdb > /projects/compbio/tmp/scwrl_1603443065.log # T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA-scwrl 61.024 cost/residue 126 clashes 0.0278925 breaks # iteration 11 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 70.2134 cost/residue, 124 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 15 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 0 ## 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+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 70.2134 cost/residue, 124 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 31 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.4169 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 46 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 9 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.4169 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 63 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.4169 cost/residue, 135 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 81 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 12 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.1689 cost/residue, 143 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 92 ## TwoFragment 7 ## CrossOver 2 ## CrossAndInsert 13 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.1689 cost/residue, 143 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 48 ## InsertFragment 108 ## TwoFragment 7 ## CrossOver 3 ## CrossAndInsert 15 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.9693 cost/residue, 165 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 50 ## InsertFragment 124 ## TwoFragment 7 ## CrossOver 4 ## CrossAndInsert 17 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.9041 cost/residue, 116 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 54 ## InsertFragment 138 ## TwoFragment 7 ## CrossOver 5 ## CrossAndInsert 21 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.9041 cost/residue, 116 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 153 ## TwoFragment 7 ## CrossOver 8 ## CrossAndInsert 23 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.517 cost/residue, 128 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 170 ## TwoFragment 7 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.517 cost/residue, 128 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 189 ## TwoFragment 7 ## CrossOver 9 ## CrossAndInsert 27 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.2647 cost/residue, 149 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 204 ## TwoFragment 7 ## CrossOver 13 ## CrossAndInsert 28 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 23 # generation 14: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.2647 cost/residue, 149 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 61 ## InsertFragment 219 ## TwoFragment 7 ## CrossOver 13 ## CrossAndInsert 29 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 8 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.2647 cost/residue, 149 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 232 ## TwoFragment 7 ## CrossOver 15 ## CrossAndInsert 30 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.1216 cost/residue, 131 clashes 0.0108702 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 247 ## TwoFragment 8 ## CrossOver 15 ## CrossAndInsert 31 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 12 ## OptSubtree 23 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.1189 cost/residue, 131 clashes 0.0108702 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 256 ## TwoFragment 8 ## CrossOver 20 ## CrossAndInsert 32 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 12 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # Removing break before 32 # Removing break moved up 3 to before 38 # generation 18: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.9107 cost/residue, 132 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 63 ## InsertFragment 265 ## TwoFragment 8 ## CrossOver 26 ## CrossAndInsert 33 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 14 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # jumping subtree containing T0136:A 1 (0) jump= -0.999296 -0.0280151 -0.0102701 -0.0227516 -1.49223 6.70216 28.6931 # Removing break moved up 3 to before 38 # generation 19: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.9107 cost/residue, 132 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 275 ## TwoFragment 8 ## CrossOver 29 ## CrossAndInsert 35 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 15 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.6227 cost/residue, 128 clashes 0.0194727 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 280 ## TwoFragment 8 ## CrossOver 35 ## CrossAndInsert 37 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 19 ## OptSubtree 48 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:F 73 (72) jump= -0.869164 0.463491 0.14838 0.0878239 5.23922 4.5831 -1.47333 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:E 36 (35) jump= 0.00239983 -0.773049 0.631977 -0.0547326 -19.9517 3.59103 -4.0269 # generation 21: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.6227 cost/residue, 128 clashes 0.0194727 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 285 ## TwoFragment 8 ## CrossOver 36 ## CrossAndInsert 40 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 23 ## OptSubtree 58 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:A 1 (0) jump= -0.389374 0.51712 -0.441595 -0.621264 -9.54251 3.34884 29.2998 # generation 22: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.346 cost/residue, 137 clashes 0.0194727 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 65 ## InsertFragment 296 ## TwoFragment 8 ## CrossOver 37 ## CrossAndInsert 40 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 28 ## OptSubtree 65 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.657378 0.198594 -0.368431 -0.626636 -8.35712 -1.18012 -18.3948 # generation 23: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.346 cost/residue, 137 clashes 0.0194727 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 66 ## InsertFragment 303 ## TwoFragment 8 ## CrossOver 41 ## CrossAndInsert 40 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 30 ## OptSubtree 75 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # generation 24: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.346 cost/residue, 137 clashes 0.0194727 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 67 ## InsertFragment 307 ## TwoFragment 8 ## CrossOver 44 ## CrossAndInsert 43 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 36 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 25: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.2881 cost/residue, 132 clashes 0.0194727 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 309 ## TwoFragment 8 ## CrossOver 49 ## CrossAndInsert 43 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 39 ## OptSubtree 95 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 37 # jumping subtree containing T0136:R 23 (22) jump= 0.460118 -0.752277 -0.0480761 0.469104 10.7976 -59.3564 -24.4679 # generation 26: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.8138 cost/residue, 134 clashes 0.0128128 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 312 ## TwoFragment 8 ## CrossOver 51 ## CrossAndInsert 44 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 44 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= -1 0.000105678 -5.45546e-05 -0.000131392 11.6643 27.3285 -2.20117 # generation 27: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.8138 cost/residue, 134 clashes 0.0128128 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 315 ## TwoFragment 8 ## CrossOver 55 ## CrossAndInsert 44 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 50 ## OptSubtree 119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= -0.479528 -0.685408 -0.528163 -0.145991 14.7906 16.8419 -6.58197 # jumping subtree containing T0136:A 78 (77) jump= -0.783743 -0.24503 0.170854 0.544533 -2.5686 -20.5678 -8.94705 # jumping subtree containing T0136:A 64 (63) jump= -0.645247 -0.416489 0.154862 0.621459 -14.1661 -10.9504 -19.3281 # jumping subtree containing T0136:Q 38 (37) jump= 0.993419 -0.00241117 0.114401 0.00510476 15.3798 -6.01967 20.0678 # jumping subtree containing T0136:S 40 (39) jump= -0.729002 0.247722 -0.39886 0.498098 28.144 -7.61541 -22.3229 # Removing break before 37 # Removing break before 37 # generation 28: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5041 cost/residue, 126 clashes 0.0128128 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 317 ## TwoFragment 8 ## CrossOver 60 ## CrossAndInsert 44 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 52 ## OptSubtree 134 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 39 # jumping subtree containing T0136:A 1 (0) jump= 0.592921 -0.705308 -0.292186 0.256148 -28.7247 31.413 -82.8448 # jumping subtree containing T0136:A 1 (0) jump= 0.506721 -0.702741 0.463893 -0.184909 41.4936 8.14718 -65.4795 # jumping subtree containing T0136:S 40 (39) jump= -0.986723 0.126147 0.0733477 0.071308 6.60458 17.7074 17.1041 # Removing break before 37 # jumping subtree containing T0136:S 40 (39) jump= 0.902878 -0.206622 0.214936 0.309711 -17.0005 23.2484 -35.9515 # generation 29: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5041 cost/residue, 126 clashes 0.0128128 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 322 ## TwoFragment 8 ## CrossOver 64 ## CrossAndInsert 45 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 55 ## OptSubtree 149 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 27 (26) jump= -0.882556 0.108873 -0.24101 0.388788 26.9265 -19.5008 -3.66509 # jumping subtree containing T0136:V 16 (15) jump= 0.115684 0.918827 0.339547 0.164567 31.0622 -30.6755 -79.6399 # jumping subtree containing T0136:A 64 (63) jump= -0.965025 -0.13299 -0.221593 -0.0440129 0.777191 14.1143 -11.1177 # jumping subtree containing T0136:A 64 (63) jump= -0.708204 -0.160029 0.297638 0.619878 -56.6391 11.067 -3.94478 # Removing break before 39 # jumping subtree containing T0136:A 64 (63) jump= -0.869191 -0.0404283 0.462083 0.171326 -24.5482 -2.88051 -31.4633 # generation 30: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.4795 cost/residue, 125 clashes 0.0124083 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 328 ## TwoFragment 8 ## CrossOver 69 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 58 ## OptSubtree 160 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.46305 0.139062 -0.782585 -0.392183 -61.9178 6.91919 -51.5781 # jumping subtree containing T0136:S 40 (39) jump= 0.568696 0.397228 0.568553 -0.442202 21.7417 -58.5165 -22.3825 # jumping subtree containing T0136:A 64 (63) jump= -0.836087 0.268871 -0.00375781 0.478176 -2.58712 21.77 9.65006 # generation 31: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.4541 cost/residue, 134 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 329 ## TwoFragment 8 ## CrossOver 70 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 60 ## OptSubtree 180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.647941 0.123991 -0.0633802 0.748854 -43.3315 -19.2579 21.8417 # Removing break before 39 # jumping subtree containing T0136:A 64 (63) jump= -0.657899 -0.602038 0.441246 0.100106 -24.2085 -15.8899 -52.9093 # generation 32: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.3662 cost/residue, 129 clashes 0.0128128 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 331 ## TwoFragment 8 ## CrossOver 73 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 66 ## OptSubtree 193 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 40 (39) jump= 0.12036 -0.0143281 -0.6738 -0.728904 -22.7989 39.051 -51.0986 # jumping subtree containing T0136:E 27 (26) jump= -0.631907 -0.484087 0.536343 -0.280516 -47.7779 -20.2543 3.93773 # Removing break before 39 # generation 33: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.2674 cost/residue, 124 clashes 0.030956 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 334 ## TwoFragment 8 ## CrossOver 76 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 67 ## OptSubtree 216 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 52 # jumping subtree containing T0136:E 61 (60) jump= -0.362134 -0.56196 -0.6999 -0.251396 -34.8854 39.4024 -15.2071 # jumping subtree containing T0136:A 64 (63) jump= -0.526332 0.454668 0.261936 -0.66906 -53.3773 6.60573 -14.0501 # jumping subtree containing T0136:A 64 (63) jump= -0.527832 -0.802646 0.0432141 -0.274382 -10.2265 26.145 -5.59869 # jumping subtree containing T0136:A 64 (63) jump= 0.0254962 -0.587317 0.100343 -0.802708 0.909305 21.811 28.4607 # generation 34: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.2674 cost/residue, 124 clashes 0.030956 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 334 ## TwoFragment 8 ## CrossOver 77 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 69 ## OptSubtree 237 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= -0.0154497 0.418122 -0.690332 0.590235 41.3327 -59.7175 -65.3802 # jumping subtree containing T0136:A 1 (0) jump= -0.999813 -0.00930644 -0.0166374 0.00326462 12.9532 -0.290392 -13.7245 # jumping subtree containing T0136:G 74 (73) jump= -0.744593 -0.071896 0.083634 0.658344 -14.509 -25.8641 -16.8959 # generation 35: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.2584 cost/residue, 133 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 334 ## TwoFragment 8 ## CrossOver 79 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 73 ## OptSubtree 257 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.821204 -0.517566 -0.0816295 0.22602 10.1253 -56.38 -7.74521 # jumping subtree containing T0136:A 64 (63) jump= -0.85254 -0.126666 0.49213 -0.122228 3.744 -4.1248 4.72672 # jumping subtree containing T0136:A 64 (63) jump= 0.498037 0.582809 0.5206 -0.375855 -29.3731 45.9956 -24.6899 # jumping subtree containing T0136:A 64 (63) jump= -0.976538 -0.188929 0.0616255 0.0829499 12.4569 -0.366989 -12.1847 # generation 36: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1325 cost/residue, 127 clashes 0.030956 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 334 ## TwoFragment 8 ## CrossOver 82 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 76 ## OptSubtree 277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 62 (61) jump= 0.995874 0.0864704 -0.02301 0.015136 -1.24475 16.3822 16.5605 # Removing break before 52 # generation 37: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.8954 cost/residue, 147 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 335 ## TwoFragment 8 ## CrossOver 85 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 79 ## OptSubtree 297 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 29 (28) jump= -0.905103 0.11787 -0.39265 0.112786 12.1002 0.547127 -7.56193 # jumping subtree containing T0136:S 40 (39) jump= -0.332932 -0.300342 0.831575 0.327773 -4.1251 31.6386 -17.7417 # jumping subtree containing T0136:S 40 (39) jump= 0.218999 -0.197653 -0.0701395 -0.952918 -23.7308 -51.7358 34.2841 # jumping subtree containing T0136:S 40 (39) jump= -0.793855 -0.146326 0.556878 0.195628 -37.1171 -12.959 -0.884812 # generation 38: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.8954 cost/residue, 147 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 69 ## InsertFragment 335 ## TwoFragment 8 ## CrossOver 88 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 80 ## OptSubtree 321 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.849863 0.370651 -0.370785 -0.0535717 -6.25896 13.6401 -15.2927 # jumping subtree containing T0136:H 57 (56) jump= -0.750231 -0.153467 0.326769 -0.553916 -47.9331 -6.3854 15.1317 # jumping subtree containing T0136:F 73 (72) jump= 0.927836 -0.152428 0.250626 0.230373 -11.8478 8.90353 -9.94633 # generation 39: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7618 cost/residue, 133 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 336 ## TwoFragment 8 ## CrossOver 92 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 83 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= 0.0993729 -0.0936361 0.743488 -0.654662 -5.83133 37.0835 7.44186 # jumping subtree containing T0136:K 67 (66) jump= 0.740221 -0.347055 0.269211 -0.509068 -21.4965 -11.7889 3.03067 # generation 40: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7618 cost/residue, 133 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 336 ## TwoFragment 8 ## CrossOver 94 ## CrossAndInsert 47 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 88 ## OptSubtree 354 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.651403 -0.532938 0.0796189 0.534145 -23.24 21.7744 -41.2027 # Removing break before 26 # jumping subtree containing T0136:K 67 (66) jump= 0.215937 -0.592498 -0.100965 0.769495 -38.1067 61.5995 7.09633 # Removing break before 39 # generation 41: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7618 cost/residue, 133 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 336 ## TwoFragment 8 ## CrossOver 95 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 94 ## OptSubtree 374 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.823352 -0.511232 0.200488 0.143313 18.9662 7.51576 -7.1528 # jumping subtree containing T0136:D 55 (54) jump= 0.684118 -0.652413 -0.220787 -0.239985 6.12704 20.8671 20.9787 # jumping subtree containing T0136:K 67 (66) jump= -0.980667 -0.185651 -0.0550426 0.028211 1.36647 10.0681 5.10466 # jumping subtree containing T0136:A 64 (63) jump= 0.269516 0.205704 0.816729 0.466905 -83.121 29.9585 -36.5813 # jumping subtree containing T0136:A 1 (0) jump= -0.460843 -0.854766 -0.172203 0.165366 -9.72826 30.4468 -36.1679 # generation 42: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7618 cost/residue, 133 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 336 ## TwoFragment 8 ## CrossOver 95 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 99 ## OptSubtree 393 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.969392 -0.096391 -0.000100445 0.225803 -19.0638 -1.43539 -24.5089 # jumping subtree containing T0136:K 67 (66) jump= 0.347973 0.838806 0.0540635 0.415207 -16.7313 38.726 3.46829 # jumping subtree containing T0136:K 37 (36) jump= 0.999689 0.0182863 -0.0100765 0.0136027 -12.8788 25.4334 -8.95988 # jumping subtree containing T0136:A 1 (0) jump= 0.656279 -0.247527 0.679144 0.216315 16.7455 8.68343 -43.0224 # generation 43: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7104 cost/residue, 129 clashes 0.0390209 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 70 ## InsertFragment 337 ## TwoFragment 8 ## CrossOver 97 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 103 ## OptSubtree 410 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.0756315 -0.776174 -0.321786 0.536924 -27.7572 48.9863 28.1406 # jumping subtree containing T0136:A 64 (63) jump= 0.0419788 0.772054 -0.282305 -0.567868 1.63541 23.6822 8.6551 # generation 44: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.3328 cost/residue, 122 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 337 ## TwoFragment 8 ## CrossOver 101 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 106 ## OptSubtree 426 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.882186 0.46126 -0.0521337 0.0791797 -8.89453 10.8319 -44.5915 # jumping subtree containing T0136:S 40 (39) jump= -0.396317 0.263529 -0.872184 0.113045 -14.8384 -17.1111 -53.612 # generation 45: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.3267 cost/residue, 122 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 340 ## TwoFragment 8 ## CrossOver 102 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 119 ## OptSubtree 441 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 37 (36) jump= 0.984721 0.024265 -0.123159 0.120695 0.333035 29.6195 -8.57751 # jumping subtree containing T0136:L 8 (7) jump= 0.946429 0.277889 -0.0142037 0.163855 4.47697 13.7299 -38.7717 # jumping subtree containing T0136:A 1 (0) jump= 0.947585 -0.176812 0.204545 0.170242 4.50287 -18.8575 2.3002 # jumping subtree containing T0136:K 37 (36) jump= -0.992731 -0.0800183 -0.0886844 0.0147553 -12.7851 -5.18381 17.6807 # jumping subtree containing T0136:K 67 (66) jump= -0.288929 0.600453 0.676635 -0.313273 -8.04476 12.1108 36.9607 # jumping subtree containing T0136:S 40 (39) jump= 0.145843 -0.769117 -0.617151 0.0794529 -60.0916 63.2247 -18.1803 # generation 46: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.3267 cost/residue, 122 clashes 0.0179394 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 340 ## TwoFragment 8 ## CrossOver 102 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 126 ## OptSubtree 465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 8 (7) jump= 0.506724 0.197667 -0.0810185 0.835221 -23.8812 72.9469 -3.16119 # jumping subtree containing T0136:A 1 (0) jump= -0.999778 0.00196404 -0.0179861 -0.0107555 -14.6533 -7.54619 5.28565 # jumping subtree containing T0136:K 37 (36) jump= 0.846927 -0.383513 0.239432 0.279831 0.0189586 20.6701 -7.41829 # jumping subtree containing T0136:K 37 (36) jump= -0.790637 -0.118144 0.559861 -0.217923 -49.0413 -11.9678 -0.265941 # jumping subtree containing T0136:S 40 (39) jump= -0.0705148 -0.935216 -0.21892 -0.269207 -1.65366 112.197 -25.6507 # jumping subtree containing T0136:L 54 (53) jump= -0.828718 -0.228492 -0.378823 -0.3428 27.0458 38.8155 -56.4739 # jumping subtree containing T0136:K 37 (36) jump= -0.737775 -0.0790028 -0.149547 -0.653515 6.44434 40.2897 0.594828 # generation 47: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.2404 cost/residue, 124 clashes 0.0252566 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 341 ## TwoFragment 8 ## CrossOver 102 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 134 ## OptSubtree 489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 37 (36) jump= 0.195902 -0.230598 -0.737501 -0.60377 -54.7983 57.2905 -57.2671 # jumping subtree containing T0136:D 55 (54) jump= 0.319963 -0.672254 -0.234112 0.625212 -34.1602 79.9422 14.6462 # jumping subtree containing T0136:D 55 (54) jump= 0.953212 -0.00750059 -0.0950545 0.28687 26.1287 13.6304 31.865 # jumping subtree containing T0136:D 55 (54) jump= 0.104206 0.42914 0.451636 -0.775245 -70.8155 42.5904 -11.8513 # generation 48: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.2404 cost/residue, 124 clashes 0.0252566 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 341 ## TwoFragment 8 ## CrossOver 103 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 140 ## OptSubtree 506 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # jumping subtree containing T0136:K 37 (36) jump= 0.398158 -0.666996 -0.237174 0.583382 1.2115 83.2448 -2.92067 # jumping subtree containing T0136:D 55 (54) jump= 0.701028 -0.484268 0.195393 -0.48566 -37.6648 6.16865 22.3351 # jumping subtree containing T0136:E 27 (26) jump= 0.855193 0.0668485 0.149566 -0.491737 -34.7489 -24.7156 10.0006 # jumping subtree containing T0136:A 1 (0) jump= 0.23916 0.741701 0.530558 0.333454 -45.0975 92.9998 -50.4469 # generation 49: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.2404 cost/residue, 124 clashes 0.0252566 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 341 ## TwoFragment 8 ## CrossOver 107 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 143 ## OptSubtree 523 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 16 (15) jump= 0.856969 -0.45725 0.221975 0.0851666 33.7613 51.9129 16.4385 # jumping subtree containing T0136:D 55 (54) jump= -0.919008 0.367733 -0.130465 0.0563495 9.05139 -5.77465 27.443 # jumping subtree containing T0136:D 55 (54) jump= -0.999651 -0.00489279 0.0192447 -0.0174137 5.93033 -5.31008 20.4347 # jumping subtree containing T0136:E 21 (20) jump= -0.799485 -0.154919 -0.41972 -0.400824 40.1439 58.4542 -65.2896 # jumping subtree containing T0136:K 37 (36) jump= 0.116256 0.252979 0.616989 0.736077 -16.5017 90.075 -79.4073 # jumping subtree containing T0136:D 55 (54) jump= -0.803171 -0.262568 0.426914 0.322056 -40.5916 0.520983 -8.22154 # jumping subtree containing T0136:L 72 (71) jump= -0.870829 0.325977 0.21154 0.301076 -49.4282 37.0748 14.9989 # generation 50: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1751 cost/residue, 101 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 341 ## TwoFragment 8 ## CrossOver 109 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 150 ## OptSubtree 540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.687378 0.635419 -0.313081 0.160418 -7.3467 25.8594 23.6297 # jumping subtree containing T0136:G 42 (41) jump= 0.534803 0.665692 -0.127966 -0.504445 -51.1899 49.4414 -48.7879 # jumping subtree containing T0136:D 55 (54) jump= 0.587918 0.294434 0.447661 -0.60602 -53.1329 -10.7322 1.41682 # jumping subtree containing T0136:V 62 (61) jump= 0.341866 0.0763834 0.200534 0.914921 9.36884 77.5371 -40.8141 # jumping subtree containing T0136:V 16 (15) jump= -0.856977 0.131911 -0.21286 0.450423 -5.15065 -7.54874 19.664 # jumping subtree containing T0136:K 37 (36) jump= 0.997858 0.00664849 -0.0478838 -0.0440612 -21.5506 6.85268 -8.57141 # jumping subtree containing T0136:K 37 (36) jump= 0.723156 0.595136 -0.13421 -0.323799 -53.9995 10.0653 -53.2215 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= -0.984853 -0.13185 0.0606577 -0.0948682 16.1182 8.7185 8.87436 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= -0.600759 -0.336549 -0.256566 -0.678231 17.4626 94.1193 -20.3103 # generation 51: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1751 cost/residue, 101 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 341 ## TwoFragment 8 ## CrossOver 111 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 153 ## OptSubtree 559 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 63 (62) jump= -0.213191 0.698855 -0.221347 -0.645877 -19.6213 55.4586 -61.4551 # jumping subtree containing T0136:Q 41 (40) jump= 0.280618 -0.350643 0.877895 -0.16614 25.9022 17.5838 -27.7735 # jumping subtree containing T0136:Q 41 (40) jump= -0.722353 -0.11442 -0.344319 0.588692 -50.7536 12.6282 24.473 # Removing break before 40 # jumping subtree containing T0136:S 58 (57) jump= 0.996306 -0.0698001 -0.00807561 -0.0493577 8.32397 17.7745 9.23501 # jumping subtree containing T0136:D 55 (54) jump= -0.743167 0.445037 0.0160733 0.499386 -47.0342 72.9187 37.7526 # jumping subtree containing T0136:K 37 (36) jump= 0.0417963 -0.537189 -0.417262 -0.731828 19.9402 89.5116 -43.8131 # jumping subtree containing T0136:Q 41 (40) jump= 0.788627 -0.56134 0.0820959 0.23712 20.48 45.9326 7.27365 # jumping subtree containing T0136:D 55 (54) jump= 0.799114 0.496496 -0.116289 0.318412 49.3787 7.90333 -29.2623 # generation 52: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1751 cost/residue, 101 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 341 ## TwoFragment 8 ## CrossOver 116 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 156 ## OptSubtree 581 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 37 (36) jump= -0.59215 -0.552577 -0.399653 0.429294 -49.3883 18.2581 -41.5343 # Removing break before 40 # jumping subtree containing T0136:L 72 (71) jump= -0.916845 0.344211 -0.0794841 -0.186003 -7.98917 15.4607 -17.5989 # jumping subtree containing T0136:K 37 (36) jump= 0.418191 0.491205 0.749414 -0.149036 -50.1559 18.7326 -67.3099 # jumping subtree containing T0136:K 37 (36) jump= -0.513404 0.210186 -0.16967 -0.814525 14.6553 94.2441 6.98147 # generation 53: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.127 cost/residue, 106 clashes 0.02013 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 71 ## InsertFragment 342 ## TwoFragment 8 ## CrossOver 119 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 156 ## OptSubtree 601 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 37 (36) jump= 0.553475 0.155135 0.636772 0.513927 10.3894 30.4397 -47.0596 # jumping subtree containing T0136:K 37 (36) jump= -0.0922616 0.0508031 -0.978393 -0.177917 -75.338 29.7069 -45.9946 # jumping subtree containing T0136:V 16 (15) jump= 0.646785 0.0419012 -0.664992 -0.371078 -68.7294 -16.0786 6.77991 # generation 54: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.127 cost/residue, 106 clashes 0.02013 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 342 ## TwoFragment 8 ## CrossOver 123 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 158 ## OptSubtree 618 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.927119 0.281549 0.191135 -0.157 7.05569 -19.1207 -33.2522 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= -0.808713 0.0542914 0.553243 0.192244 -65.5871 12.8169 -15.6251 # jumping subtree containing T0136:T 70 (69) jump= -0.437038 0.512716 -0.167199 0.719836 -31.8986 38.3988 10.4174 # jumping subtree containing T0136:V 16 (15) jump= 0.885749 0.0837075 0.185951 0.416971 18.3774 61.8522 -22.6418 # jumping subtree containing T0136:K 43 (42) jump= -0.221533 0.285322 -0.817939 -0.447762 21.8467 40.8305 -73.9601 # jumping subtree containing T0136:L 72 (71) jump= -0.287783 0.744214 -0.531471 -0.284368 -17.2202 35.0608 -50.2565 # jumping subtree containing T0136:E 48 (47) jump= -0.499717 -0.431433 -0.663177 -0.352625 -9.28154 46.5675 -46.2786 # jumping subtree containing T0136:V 79 (78) jump= 0.486974 0.805455 -0.280304 -0.188491 -28.0604 21.6303 -28.0413 # Removing break before 40 # generation 55: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.127 cost/residue, 106 clashes 0.02013 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 342 ## TwoFragment 8 ## CrossOver 124 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 162 ## OptSubtree 645 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.267444 -0.581492 -0.746583 0.181531 -53.7133 48.6912 -12.3435 # jumping subtree containing T0136:V 16 (15) jump= -0.936228 0.0526787 0.217965 0.270542 -40.7114 7.98913 -4.87007 # jumping subtree containing T0136:K 37 (36) jump= 0.948204 0.0268701 0.163661 0.270929 5.96764 11.8858 -31.3437 # jumping subtree containing T0136:D 55 (54) jump= 0.965954 -0.252528 -0.00956646 0.0554235 -9.19633 29.038 -1.5319 # generation 56: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1198 cost/residue, 106 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 342 ## TwoFragment 8 ## CrossOver 127 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 166 ## OptSubtree 663 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 71 (70) jump= -0.388785 -0.389496 -0.436431 0.711806 -33.6082 0.606215 -34.6018 # jumping subtree containing T0136:Q 41 (40) jump= 0.350435 -0.919796 -0.174166 -0.0289415 -11.905 16.1921 42.0571 # Removing break before 40 # jumping subtree containing T0136:V 16 (15) jump= -0.826988 0.381888 -0.0468315 -0.40995 13.4637 64.5963 0.848852 # jumping subtree containing T0136:K 37 (36) jump= 0.813258 -0.437368 0.262886 0.279663 7.51262 44.8772 10.8355 # Removing break before 40 # jumping subtree containing T0136:E 36 (35) jump= -0.0546326 0.642916 -0.692685 -0.322275 38.5283 53.0179 -64.7859 # jumping subtree containing T0136:K 37 (36) jump= 0.879921 -0.0185297 -0.000245094 -0.474759 -37.926 -0.0861855 24.8655 # jumping subtree containing T0136:K 37 (36) jump= 0.67731 -0.566699 0.215124 0.416923 27.0765 81.7528 20.1346 # generation 57: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1198 cost/residue, 106 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 342 ## TwoFragment 8 ## CrossOver 132 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 167 ## OptSubtree 683 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.346015 -0.532063 -0.611584 0.472384 -96.0043 60.7175 -24.0356 # jumping subtree containing T0136:D 55 (54) jump= 0.258068 0.684918 0.652773 0.195383 -31.3039 74.3893 -63.6633 # jumping subtree containing T0136:L 72 (71) jump= -0.625603 0.563762 -0.330973 0.425735 -25.3277 -0.720456 21.5543 # jumping subtree containing T0136:E 36 (35) jump= -0.248234 -0.878601 -0.376727 0.156582 -47.6992 21.6269 -90.4178 # jumping subtree containing T0136:V 16 (15) jump= 0.998544 0.038649 -0.024197 -0.0288161 7.23718 12.216 -10.5533 # jumping subtree containing T0136:V 16 (15) jump= 0.979595 -0.149053 -0.0858488 -0.103957 -30.5145 32.6986 19.2322 # generation 58: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1198 cost/residue, 106 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 342 ## TwoFragment 8 ## CrossOver 136 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 175 ## OptSubtree 703 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 37 (36) jump= 0.0767191 -0.996842 0.0204651 -0.00114425 -18.6908 52.4998 -64.7296 # Removing break before 40 # jumping subtree containing T0136:T 70 (69) jump= -0.0289914 -0.686332 -0.69067 -0.226014 -13.4139 2.78587 -17.808 # jumping subtree containing T0136:T 70 (69) jump= 0.960229 0.0872164 -0.201488 -0.172502 -12.1716 -13.0087 -7.02556 # jumping subtree containing T0136:G 74 (73) jump= 0.923212 -0.235842 -0.227178 0.201117 -15.0817 19.3369 43.0631 # jumping subtree containing T0136:T 70 (69) jump= -0.281869 0.504853 -0.750002 -0.321201 -11.2145 14.1742 -108.937 # generation 59: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1198 cost/residue, 106 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 342 ## TwoFragment 8 ## CrossOver 141 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 180 ## OptSubtree 727 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.923352 -0.146608 0.315506 0.16243 0.112568 15.0002 -15.7308 # jumping subtree containing T0136:T 70 (69) jump= 0.130556 -0.603106 -0.738358 0.272111 -96.139 63.6242 -69.3795 # jumping subtree containing T0136:A 1 (0) jump= 0.857744 -0.0721883 0.330434 0.387139 -1.10394 49.1806 -6.47137 # jumping subtree containing T0136:T 70 (69) jump= 0.779849 0.515259 0.216269 0.282082 28.6316 33.5745 -42.1018 # jumping subtree containing T0136:F 73 (72) jump= 0.967679 0.141099 -0.18855 -0.090206 1.70557 -11.2749 10.8225 # jumping subtree containing T0136:T 70 (69) jump= 0.51541 -0.0431383 0.720766 -0.461507 -32.8974 -61.577 -61.9514 # generation 60: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8203 cost/residue, 114 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 343 ## TwoFragment 8 ## CrossOver 142 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 180 ## OptSubtree 749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.303408 0.651473 -0.687256 -0.105855 23.0473 32.53 -79.8929 # jumping subtree containing T0136:Q 41 (40) jump= -0.686197 0.124259 -0.0705739 0.713241 -71.9037 53.8755 0.186844 # jumping subtree containing T0136:T 70 (69) jump= 0.896121 -0.294137 -0.0283439 0.331129 -56.5518 51.429 -29.9468 # jumping subtree containing T0136:A 1 (0) jump= 0.0206959 -0.562082 0.676806 -0.474941 19.5167 22.9939 -2.20954 # jumping subtree containing T0136:A 1 (0) jump= -0.931408 -0.30317 0.165091 0.11538 -7.88283 -43.109 -3.45812 # Removing break before 40 # jumping subtree containing T0136:K 37 (36) jump= -0.637507 0.369267 0.674667 -0.0453005 -58.838 20.6809 -19.4869 # jumping subtree containing T0136:V 16 (15) jump= 0.00830538 0.0762564 -0.183118 0.980094 -69.3412 0.603809 -2.69892 # jumping subtree containing T0136:K 37 (36) jump= 0.23687 -0.509844 -0.673914 -0.479366 -42.1083 53.1766 -23.0154 # generation 61: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.6163 cost/residue, 120 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 345 ## TwoFragment 8 ## CrossOver 145 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 181 ## OptSubtree 769 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.553557 0.168881 0.581597 -0.571663 -96.7724 -31.7762 -89.0141 # jumping subtree containing T0136:T 70 (69) jump= 0.36876 0.217764 0.868372 -0.25005 -19.2063 -21.0606 -140.754 # jumping subtree containing T0136:V 16 (15) jump= 0.977978 -0.200523 -0.0553271 -0.016963 8.01352 32.8503 3.23588 # jumping subtree containing T0136:K 37 (36) jump= -0.225904 0.0542737 0.880296 0.413644 -64.0687 9.22586 -65.8576 # jumping subtree containing T0136:T 70 (69) jump= -0.886191 -0.180285 -0.285548 -0.317214 -4.97158 -3.2839 -1.89794 # generation 62: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.6163 cost/residue, 120 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 345 ## TwoFragment 8 ## CrossOver 151 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 185 ## OptSubtree 792 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.975128 0.158484 -0.1514 -0.0329566 12.0204 31.5311 -9.42423 # jumping subtree containing T0136:D 55 (54) jump= -0.447564 -0.626969 0.0370599 -0.636571 29.9067 29.4981 -2.1569 # jumping subtree containing T0136:R 69 (68) jump= 0.365186 -0.382983 -0.0870043 -0.844034 -87.2095 74.5237 21.2995 # jumping subtree containing T0136:K 37 (36) jump= 0.917183 0.29043 0.227597 -0.150415 -17.2851 -37.3247 -34.2655 # jumping subtree containing T0136:Q 41 (40) jump= -0.49451 -0.333275 0.686714 0.415706 -98.6307 -14.7663 -52.3234 # jumping subtree containing T0136:D 55 (54) jump= -0.930093 -0.0761177 0.357986 0.0313015 -27.7031 -0.900006 16.2332 # jumping subtree containing T0136:A 28 (27) jump= -0.817061 0.0360298 -0.406188 -0.407585 7.12991 47.1302 -27.0097 # jumping subtree containing T0136:R 34 (33) jump= -0.943437 0.110966 0.172649 0.260394 -31.106 26.7553 -14.8889 # generation 63: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.6162 cost/residue, 120 clashes 0.02013 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 345 ## TwoFragment 8 ## CrossOver 156 ## CrossAndInsert 48 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 194 ## OptSubtree 814 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 16 (15) jump= -0.754623 0.546946 -0.348153 0.100919 33.533 11.7526 -67.749 # jumping subtree containing T0136:T 70 (69) jump= 0.992392 0.0670255 0.0618943 0.0826696 -2.09457 3.61187 -11.0758 # jumping subtree containing T0136:L 50 (49) jump= -0.892344 -0.371 -0.24477 0.0785446 4.47414 -45.6966 -39.367 # jumping subtree containing T0136:Q 41 (40) jump= -0.67685 -0.42538 -0.0649447 -0.59725 78.6715 -24.8184 -64.898 # jumping subtree containing T0136:T 70 (69) jump= 0.37222 -0.835816 -0.0127904 -0.40336 -20.8733 16.6351 31.7223 # jumping subtree containing T0136:T 70 (69) jump= 0.875793 0.156605 -0.115141 -0.441818 -75.0046 -9.28876 -21.4656 # jumping subtree containing T0136:T 70 (69) jump= 0.233057 -0.820377 0.348529 -0.388837 30.3546 10.9669 -55.4896 # jumping subtree containing T0136:K 37 (36) jump= 0.0341307 -0.319702 0.276004 0.905786 -106.752 40.8002 -29.0663 # jumping subtree containing T0136:T 70 (69) jump= 0.991563 0.083968 0.0792557 -0.0589174 31.353 -30.0859 -24.8669 # jumping subtree containing T0136:T 70 (69) jump= -0.992132 -0.0890204 0.0711881 -0.0517874 -26.9005 -26.45 16.0239 # jumping subtree containing T0136:T 70 (69) jump= 0.745119 0.617601 -0.228342 -0.105956 -16.7394 -62.0256 -23.513 # generation 64: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4079 cost/residue, 124 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 159 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 195 ## OptSubtree 835 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 37 (36) jump= 0.723797 0.0265132 0.612371 0.316886 69.4535 54.3687 -73.9931 # jumping subtree containing T0136:Q 41 (40) jump= 0.46752 -0.702164 -0.442442 -0.304363 -36.6884 77.8111 -17.5746 # jumping subtree containing T0136:K 37 (36) jump= 0.871259 0.00479367 0.395206 0.291028 50.6113 19.2478 -32.5672 # jumping subtree containing T0136:T 70 (69) jump= 0.969735 -0.14759 -0.0642937 0.183568 -10.2869 46.6702 21.2249 # jumping subtree containing T0136:T 70 (69) jump= -0.945214 -0.263355 0.0816468 -0.17478 11.1984 -43.1543 -3.45395 # jumping subtree containing T0136:A 1 (0) jump= -0.801896 0.0864125 0.56879 -0.161165 -111.223 4.716 6.94016 # jumping subtree containing T0136:Q 41 (40) jump= -0.84827 -0.166014 0.272443 -0.422674 2.17567 -3.18196 -12.1216 # generation 65: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4079 cost/residue, 124 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 159 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 203 ## OptSubtree 858 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.9293 -0.120807 -0.0995686 -0.334506 -22.3144 10.5736 -14.5965 # jumping subtree containing T0136:T 70 (69) jump= 0.772871 -0.187903 0.40031 0.455099 38.0467 55.4138 -17.4319 # jumping subtree containing T0136:D 55 (54) jump= 0.570506 -0.192737 -0.265322 -0.752981 -39.2266 35.527 17.1002 # jumping subtree containing T0136:K 37 (36) jump= 0.719109 -0.646755 0.224873 0.118414 0.421991 53.2921 -66.3554 # Removing break before 40 # jumping subtree containing T0136:T 70 (69) jump= -0.300008 0.202968 -0.700904 -0.614437 -37.2928 33.7302 -93.0445 # jumping subtree containing T0136:V 16 (15) jump= 0.872647 0.123473 0.411679 -0.231866 4.92585 -10.8095 -67.2518 # jumping subtree containing T0136:T 70 (69) jump= 0.840981 0.329068 -0.00997391 0.429378 -9.90592 0.366995 -7.8484 # jumping subtree containing T0136:V 16 (15) jump= -0.949484 -0.0817029 -0.280765 -0.11391 38.7256 7.56629 -36.2882 # generation 66: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3337 cost/residue, 114 clashes 0.0425457 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 162 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 204 ## OptSubtree 887 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.997702 0.00545568 -0.0110573 -0.0666248 15.6247 2.22782 10.2584 # jumping subtree containing T0136:E 48 (47) jump= -0.70434 0.350216 -0.552424 0.275829 64.0953 1.42877 -19.3845 # jumping subtree containing T0136:T 70 (69) jump= 0.150399 -0.10189 -0.19963 0.962885 -30.2043 14.0786 11.837 # jumping subtree containing T0136:Q 41 (40) jump= 0.149674 -0.19468 0.317556 0.915891 -60.7545 72.5809 -37.4587 # jumping subtree containing T0136:T 70 (69) jump= 0.7052 -0.260135 -0.581951 0.310412 -62.7087 16.8878 -20.9354 # jumping subtree containing T0136:H 57 (56) jump= -0.723588 0.628166 0.0337425 -0.284059 4.22354 90.4429 -17.3191 # jumping subtree containing T0136:V 16 (15) jump= 0.31986 0.785989 0.38078 0.367312 -1.10578 53.9931 -109.028 # jumping subtree containing T0136:Q 41 (40) jump= 0.90811 0.322341 -0.114616 -0.241446 -39.6732 2.54283 -36.7317 # jumping subtree containing T0136:E 32 (31) jump= -0.357301 0.547652 -0.754006 -0.0623569 29.4669 16.8574 -72.3606 # jumping subtree containing T0136:R 15 (14) jump= 0.978281 -0.190051 0.0056033 -0.0825551 -16.7163 1.8315 -5.62992 # jumping subtree containing T0136:Q 41 (40) jump= 0.795511 -0.265044 -0.354462 -0.413848 -54.538 49.4187 1.72314 # jumping subtree containing T0136:Q 41 (40) jump= 0.960051 0.161238 0.172805 -0.149808 -11.5926 -26.9923 -38.238 # jumping subtree containing T0136:Q 41 (40) jump= -0.720183 0.347259 -0.396241 0.451377 22.7564 -10.4338 -7.75696 # jumping subtree containing T0136:K 37 (36) jump= 0.787487 -0.342823 0.431355 -0.27617 20.1984 8.07762 -6.76147 # generation 67: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3337 cost/residue, 114 clashes 0.0425457 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 168 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 207 ## OptSubtree 905 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.285635 -0.613156 -0.38356 0.628756 -48.8283 -24.7704 -76.9902 # jumping subtree containing T0136:T 70 (69) jump= 0.867632 -0.314874 0.383744 0.0284622 39.6335 39.5797 -8.97552 # jumping subtree containing T0136:V 16 (15) jump= 0.0380755 0.518593 -0.852836 -0.0477824 -11.6332 -6.4642 -80.5445 # jumping subtree containing T0136:T 70 (69) jump= 0.502349 -0.395374 -0.705351 0.306276 -114.15 22.0912 -73.4179 # jumping subtree containing T0136:R 69 (68) jump= 0.593514 0.36181 0.680517 0.2318 58.4787 15.0482 -162.105 # jumping subtree containing T0136:L 72 (71) jump= 0.720636 0.312707 -0.185763 0.590246 -6.21083 -28.0968 -23.5483 # jumping subtree containing T0136:D 55 (54) jump= -0.999994 -0.00273801 -0.00197572 0.00091192 2.44461 -29.4009 6.7232 # jumping subtree containing T0136:T 70 (69) jump= 0.750754 0.121076 0.644705 0.0778769 34.557 -4.54932 -81.5961 # jumping subtree containing T0136:V 16 (15) jump= -0.542521 0.747006 0.258807 -0.284027 -45.3878 86.9884 1.11712 # jumping subtree containing T0136:T 70 (69) jump= 0.719782 -0.43169 -0.283273 0.464019 -57.9899 56.916 -31.5418 # jumping subtree containing T0136:T 70 (69) jump= -0.998203 0.044941 0.0364772 0.0154982 -30.7647 -8.48133 5.10617 # jumping subtree containing T0136:A 1 (0) jump= 0.937191 0.172796 -0.224965 -0.20299 -48.0466 6.70901 -32.9997 # jumping subtree containing T0136:V 16 (15) jump= -0.421039 -0.195496 0.739313 -0.487774 -39.6044 -23.0984 -8.91768 # jumping subtree containing T0136:T 70 (69) jump= 0.837088 -0.121123 0.533437 0.00763854 69.2219 -7.12175 -39.5218 # Removing break before 40 # jumping subtree containing T0136:T 70 (69) jump= 0.875715 0.405461 -0.235957 0.114233 -1.10479 -53.2425 -47.6223 # generation 68: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3337 cost/residue, 114 clashes 0.0425457 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 170 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 211 ## OptSubtree 931 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 73 (72) jump= -0.806137 -0.484132 0.0184946 0.33973 -22.3511 -34.697 -44.4696 # jumping subtree containing T0136:T 70 (69) jump= 0.0291151 -0.109341 -0.576215 -0.809427 -43.7897 60.8477 -39.0054 # jumping subtree containing T0136:D 55 (54) jump= 0.989829 -0.0628006 0.0460652 0.119047 28.0112 22.9643 -2.67166 # jumping subtree containing T0136:T 70 (69) jump= 0.123731 0.274307 -0.910837 -0.282529 -51.5884 7.34278 -129.459 # jumping subtree containing T0136:N 4 (3) jump= -0.834573 0.104002 0.188518 0.507082 -52.5601 18.2282 17.1135 # jumping subtree containing T0136:T 70 (69) jump= 0.636624 -0.374079 -0.509097 0.442262 -88.1498 36.0707 -49.7145 # jumping subtree containing T0136:Q 41 (40) jump= 0.804421 0.0375261 0.533578 0.258445 53.787 11.4656 -40.5502 # jumping subtree containing T0136:V 16 (15) jump= -0.833184 -0.06273 0.256762 -0.485739 22.7623 24.3509 12.7263 # generation 69: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.326 cost/residue, 106 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 175 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 214 ## OptSubtree 955 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.487459 0.15084 -0.71674 -0.475305 -76.2339 9.82593 -24.709 # jumping subtree containing T0136:T 70 (69) jump= 0.953441 0.150381 0.231699 -0.12104 24.8823 -22.1871 -19.0076 # jumping subtree containing T0136:V 16 (15) jump= -0.114848 -0.496724 0.552883 0.659087 -91.4118 27.6684 -62.2448 # jumping subtree containing T0136:A 1 (0) jump= 0.921438 0.111183 -0.266906 0.259522 -34.0462 -24.8357 23.3535 # generation 70: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.326 cost/residue, 106 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 178 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 217 ## OptSubtree 977 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.997239 -0.0239192 -0.0110854 0.0694157 21.9857 -13.8267 -7.04651 # jumping subtree containing T0136:T 70 (69) jump= -0.993661 -0.094847 -0.015599 -0.0582894 23.6629 0.347634 13.3784 # jumping subtree containing T0136:V 16 (15) jump= 0.670179 0.530728 0.237405 0.461332 23.1715 10.2633 -28.1381 # jumping subtree containing T0136:V 79 (78) jump= 0.922121 0.366554 0.121556 -0.0235501 32.0599 -27.8541 -37.5559 # jumping subtree containing T0136:A 1 (0) jump= -0.0398306 0.751745 -0.546313 -0.3672 -62.1672 32.29 -116.71 # jumping subtree containing T0136:Q 41 (40) jump= -0.814918 -0.221575 0.00771647 0.535494 -68.4939 -42.8587 -25.5252 # generation 71: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3259 cost/residue, 106 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 180 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 219 ## OptSubtree 1006 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.706773 0.345065 -0.584222 -0.200218 55.1166 65.9609 -83.7087 # jumping subtree containing T0136:V 16 (15) jump= 0.826757 -0.205253 -0.522519 0.0362927 -83.3128 37.204 -16.1291 # jumping subtree containing T0136:V 16 (15) jump= 0.88236 0.0826184 -0.193659 0.420846 -13.2267 13.1752 12.1526 # jumping subtree containing T0136:Q 41 (40) jump= 0.50293 0.794384 -0.0531965 -0.33643 -6.10497 -1.34975 -71.8147 # jumping subtree containing T0136:T 70 (69) jump= 0.783794 -0.560574 -0.025587 -0.266022 22.6008 61.509 -27.4412 # jumping subtree containing T0136:A 1 (0) jump= 0.66159 -0.539042 -0.0390106 0.519818 -20.5295 77.6083 -48.9013 # jumping subtree containing T0136:L 72 (71) jump= -0.80219 -0.454681 0.369558 -0.114819 -27.8014 -38.7334 -64.258 # jumping subtree containing T0136:T 70 (69) jump= 0.793343 0.039895 -0.384239 -0.470505 -56.9258 -9.80094 -25.2908 # jumping subtree containing T0136:V 16 (15) jump= -0.0927157 0.723552 -0.387543 -0.563637 -77.6935 46.7165 -155.219 # jumping subtree containing T0136:A 1 (0) jump= -0.117801 0.664087 0.371661 0.637949 53.5415 32.4221 -57.6032 # jumping subtree containing T0136:V 16 (15) jump= 0.997695 0.0508232 0.0422166 -0.0154931 3.83746 18.7563 -10.9577 # jumping subtree containing T0136:Q 41 (40) jump= 0.055296 -0.991667 -0.100699 0.0583038 -13.5151 27.1251 -82.2072 # jumping subtree containing T0136:T 70 (69) jump= -0.0676132 0.284351 0.0564082 -0.954668 -108.915 -37.1577 -17.6367 # jumping subtree containing T0136:T 70 (69) jump= -0.764638 -0.422261 0.0341894 -0.485649 28.486 -25.7841 -31.9711 # jumping subtree containing T0136:T 70 (69) jump= 0.228861 0.507316 0.233502 -0.797327 -63.9019 -53.7185 -63.5559 # generation 72: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3259 cost/residue, 106 clashes 0.0201296 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 186 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 220 ## OptSubtree 1030 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:T 70 (69) jump= 0.860133 -0.344314 0.188026 -0.325984 26.4521 42.9349 -16.7137 # jumping subtree containing T0136:Q 41 (40) jump= -0.973879 0.0612255 0.0821129 0.202654 -6.98863 15.3844 -12.5138 # jumping subtree containing T0136:A 1 (0) jump= -0.975619 0.0420254 0.0746263 0.202071 -7.17849 -23.4465 4.83758 # jumping subtree containing T0136:V 16 (15) jump= 0.448385 -0.855227 0.0713543 -0.249893 44.8023 121.606 -103.765 # jumping subtree containing T0136:T 70 (69) jump= 0.72181 0.431473 -0.402426 -0.361766 -82.1319 -44.5291 -25.2812 # jumping subtree containing T0136:T 70 (69) jump= -0.783275 0.390857 -0.35687 -0.326123 -4.81786 44.8444 -53.7373 # jumping subtree containing T0136:V 16 (15) jump= 0.468368 0.502235 -0.445772 -0.574176 -82.5471 -5.83215 -100.428 # jumping subtree containing T0136:A 1 (0) jump= -0.897643 -0.388913 -0.111074 0.175061 24.0815 -71.7411 -29.0519 # jumping subtree containing T0136:R 69 (68) jump= -0.853993 0.504773 -0.106616 0.0673235 26.2048 37.1036 -33.9514 # generation 73: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3259 cost/residue, 106 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 190 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 222 ## OptSubtree 1054 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.502136 0.0401235 -0.819529 -0.273169 -85.3514 20.2492 -65.2424 # jumping subtree containing T0136:V 16 (15) jump= 0.824137 0.457096 0.330859 0.0489328 38.5868 -42.0126 -78.2184 # jumping subtree containing T0136:G 74 (73) jump= 0.461687 -0.228712 0.850414 -0.106452 -22.5888 -11.8109 -138.656 # jumping subtree containing T0136:Q 41 (40) jump= 0.585758 -0.37436 -0.197566 -0.691165 -0.887509 47.2546 -20.457 # jumping subtree containing T0136:T 70 (69) jump= -0.961859 0.103463 0.00158759 0.253221 34.8722 -3.21767 -8.19045 # jumping subtree containing T0136:A 78 (77) jump= 0.0739321 -0.136492 -0.351352 0.923285 -74.6718 -51.4147 -37.5188 # jumping subtree containing T0136:Q 41 (40) jump= -0.845414 0.0625517 0.524653 -0.078117 -93.7237 33.5716 -20.7817 # jumping subtree containing T0136:V 16 (15) jump= 0.951132 0.0934387 0.292332 -0.0340419 40.8157 -6.59164 -45.2669 # jumping subtree containing T0136:V 16 (15) jump= -0.386919 0.767926 0.262034 -0.438088 -64.5029 41.5338 -119.5 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= 0.971807 0.19512 0.0147047 -0.131544 -3.63539 -33.4519 -3.46226 # jumping subtree containing T0136:A 1 (0) jump= 0.591023 0.533662 0.491662 0.35237 49.4272 -6.11281 -81.9745 # generation 74: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3259 cost/residue, 106 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 195 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 224 ## OptSubtree 1075 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.376321 -0.713065 -0.510216 0.299335 -123.877 58.3438 -135.585 # jumping subtree containing T0136:L 6 (5) jump= 0.714516 -0.207612 -0.555617 -0.371017 -51.2674 40.6132 4.91651 # jumping subtree containing T0136:T 70 (69) jump= -0.741387 0.545354 -0.380481 -0.0903795 18.36 16.3737 -74.8935 # jumping subtree containing T0136:R 34 (33) jump= -0.144837 0.627085 -0.0100868 0.7653 56.3991 25.2324 -45.0263 # jumping subtree containing T0136:T 70 (69) jump= 0.346467 0.200569 0.00872515 -0.916328 -53.0662 -32.639 -13.7101 # jumping subtree containing T0136:T 70 (69) jump= 0.872256 0.107722 -0.303142 -0.368334 -37.0163 -25.3834 30.1194 # jumping subtree containing T0136:T 70 (69) jump= -0.577484 -0.140106 -0.548468 -0.588273 -6.72396 29.3556 -56.1461 # generation 75: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3259 cost/residue, 106 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 346 ## TwoFragment 8 ## CrossOver 198 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 224 ## OptSubtree 1096 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.919544 -0.368473 -0.129054 -0.044841 30.9587 -51.4738 -8.58799 # jumping subtree containing T0136:R 34 (33) jump= 0.722093 -0.539314 -0.417394 -0.116206 -66.6203 70.4265 -28.9563 # jumping subtree containing T0136:E 48 (47) jump= -0.373421 0.0840316 0.282496 0.879597 -42.4525 33.5369 10.8638 # jumping subtree containing T0136:T 70 (69) jump= 0.613775 0.0742486 -0.761492 0.194673 -74.5241 -12.941 -57.1199 # jumping subtree containing T0136:V 16 (15) jump= 0.981578 -0.00980414 -0.181854 0.0577736 -40.4809 -17.7583 -3.2791 # jumping subtree containing T0136:T 70 (69) jump= 0.909936 -0.350942 0.203421 0.086463 17.0336 54.0366 -37.0655 # jumping subtree containing T0136:R 34 (33) jump= -0.997034 -0.0473243 -0.0494781 -0.0351411 24.9804 3.55399 -11.827 # jumping subtree containing T0136:K 77 (76) jump= 0.221002 -0.644649 -0.723508 -0.1101 -46.3846 66.8036 -124.252 # jumping subtree containing T0136:R 34 (33) jump= 0.285376 0.848467 0.242862 0.373741 48.0957 23.0231 -116.894 # jumping subtree containing T0136:Q 41 (40) jump= 0.975884 0.105808 0.186517 0.0408182 43.2644 -29.6292 -10.2038 # jumping subtree containing T0136:V 16 (15) jump= -0.690519 0.458347 -0.551002 -0.0974556 41.0237 43.5544 -84.5067 # jumping subtree containing T0136:R 34 (33) jump= 0.819006 -0.260799 -0.5093 -0.0427457 -95.1586 56.3526 1.12702 # generation 76: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.2856 cost/residue, 113 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 347 ## TwoFragment 8 ## CrossOver 199 ## CrossAndInsert 48 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 224 ## OptSubtree 1120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.294046 0.0965714 0.835955 -0.453201 -40.3064 -67.6499 -126.485 # jumping subtree containing T0136:T 70 (69) jump= 0.576665 0.753271 -0.0586479 0.310805 29.1931 -68.5588 -45.8582 # jumping subtree containing T0136:T 70 (69) jump= 0.983283 -0.0819149 0.0638281 0.149564 6.04061 15.3024 -12.9741 # jumping subtree containing T0136:T 70 (69) jump= -0.928255 0.109972 0.300766 -0.189178 -39.0791 8.64232 -19.7063 # jumping subtree containing T0136:T 70 (69) jump= 0.998485 0.0393452 0.0238232 0.0301961 -17.8692 -16.3802 -4.0111 # jumping subtree containing T0136:R 34 (33) jump= 0.969143 0.137121 0.18266 0.0927133 34.2378 -1.033 -35.6836 # jumping subtree containing T0136:T 70 (69) jump= 0.4468 -0.692759 0.0617124 0.562713 -89.4861 47.1782 -108.384 # jumping subtree containing T0136:R 34 (33) jump= -0.99275 -0.00954896 -0.0897063 -0.0794286 43.9761 -0.147377 -12.0716 # jumping subtree containing T0136:K 77 (76) jump= 0.808151 -0.487306 0.311385 0.111645 13.4893 47.7383 -73.5469 # generation 77: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.1962 cost/residue, 107 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 348 ## TwoFragment 8 ## CrossOver 201 ## CrossAndInsert 49 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 226 ## OptSubtree 1138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= -0.609559 -0.352157 -0.429221 0.565856 -42.4669 -74.6565 -82.6152 # jumping subtree containing T0136:T 70 (69) jump= 0.754426 0.336973 -0.128181 -0.548508 -50.2788 -45.38 10.7163 # Removing break before 40 # generation 78: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9902 cost/residue, 110 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 203 ## CrossAndInsert 49 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 228 ## OptSubtree 1164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.994311 0.0253401 0.0458233 -0.0927545 -0.778189 -3.48483 11.7709 # jumping subtree containing T0136:T 70 (69) jump= -0.395089 0.361702 0.706247 0.462916 -33.7931 49.7742 -52.3933 # jumping subtree containing T0136:A 1 (0) jump= 0.881078 -0.45633 -0.0888799 -0.0869786 16.9593 70.9773 -24.7951 # jumping subtree containing T0136:T 70 (69) jump= 0.97899 0.0558272 0.161378 0.111441 9.70386 12.6637 13.7529 # jumping subtree containing T0136:T 70 (69) jump= 0.985879 -0.0336654 -0.0428161 0.158355 14.8141 25.198 12.2523 # jumping subtree containing T0136:T 70 (69) jump= 0.708436 -0.0762114 0.490134 -0.502075 18.94 -50.4069 -47.5808 # jumping subtree containing T0136:R 34 (33) jump= -0.494692 -0.485929 0.671666 0.260803 -84.4558 -39.6107 -123.397 # generation 79: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9902 cost/residue, 110 clashes 0.0201298 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 208 ## CrossAndInsert 49 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 233 ## OptSubtree 1186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.651844 0.256763 0.334423 -0.630344 -82.9485 38.4561 -44.9063 # jumping subtree containing T0136:T 70 (69) jump= 0.67764 -0.399842 0.248351 0.565024 -22.472 102.673 -42.4696 # jumping subtree containing T0136:Q 41 (40) jump= 0.992752 0.0588651 0.0989254 0.0345341 15.5989 3.29172 -4.54011 # jumping subtree containing T0136:Q 41 (40) jump= -0.844625 0.262314 0.362912 0.29342 -61.1938 30.4097 -28.9381 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.582384 0.0938721 -0.0174978 0.807286 29.2903 3.06171 -19.6781 # jumping subtree containing T0136:A 1 (0) jump= 0.955585 0.109504 -0.270567 -0.0407364 -36.2346 1.32522 -18.4221 # jumping subtree containing T0136:Q 41 (40) jump= 0.949897 0.158877 -0.268735 -0.0153517 -42.4169 -36.5788 12.7407 # jumping subtree containing T0136:V 16 (15) jump= 0.0712005 -0.778829 0.62296 0.016642 -12.1336 -51.4508 -134.509 # generation 80: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9902 cost/residue, 110 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 211 ## CrossAndInsert 49 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 234 ## OptSubtree 1216 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.169938 0.335658 0.28028 -0.883119 -38.1021 1.77321 -22.3592 # jumping subtree containing T0136:R 34 (33) jump= -0.992058 0.0190741 -0.0981435 -0.0763202 -1.13482 13.0769 14.6236 # jumping subtree containing T0136:R 34 (33) jump= -0.019098 0.534141 -0.766486 -0.356129 -59.6245 44.3479 -168.253 # jumping subtree containing T0136:E 48 (47) jump= 0.637704 0.296258 -0.214976 -0.677753 -75.3558 -36.3914 1.28427 # jumping subtree containing T0136:V 16 (15) jump= 0.599596 -0.5629 0.0919297 0.561407 -57.4755 23.5796 -50.1323 # generation 81: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9902 cost/residue, 110 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 214 ## CrossAndInsert 49 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 236 ## OptSubtree 1238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.456115 0.521411 0.145406 0.706361 32.6247 16.1048 -28.3564 # jumping subtree containing T0136:L 53 (52) jump= -0.244396 -0.519711 -0.461722 0.676006 -74.6676 -55.717 -108.348 # jumping subtree containing T0136:R 34 (33) jump= -0.588587 0.346069 -0.223004 0.695752 75.5436 -3.94161 -7.71086 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.973498 0.069529 0.0419104 -0.213799 -8.90287 -18.398 -13.1451 # jumping subtree containing T0136:Q 41 (40) jump= 0.458219 -0.385942 -0.783432 -0.165282 -120.727 59.9694 -116.259 # jumping subtree containing T0136:T 70 (69) jump= 0.992803 -0.0726765 0.0943412 0.0126302 28.9758 27.5028 -0.314702 # jumping subtree containing T0136:E 48 (47) jump= -0.605658 0.257286 0.529235 -0.535623 -122.768 3.30198 -43.7916 # jumping subtree containing T0136:T 70 (69) jump= 0.755015 0.0969481 0.278168 0.585813 7.8867 30.98 -7.16889 # jumping subtree containing T0136:T 70 (69) jump= -0.239996 -0.42263 -0.344705 0.803097 -76.9365 -77.3092 -49.7003 # jumping subtree containing T0136:Q 41 (40) jump= 0.946401 -0.287077 -0.116695 0.0910741 -13.2398 35.7726 -10.5977 # jumping subtree containing T0136:T 70 (69) jump= -0.92142 -0.165051 0.146393 -0.319864 5.37928 4.46768 17.597 # generation 82: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6112 cost/residue, 114 clashes 0.0201298 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 215 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 236 ## OptSubtree 1260 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= 0.249451 -0.206961 -0.653032 0.684464 -68.1975 -57.7009 -83.0797 # jumping subtree containing T0136:S 10 (9) jump= 0.998792 -0.0125733 -0.0425989 -0.0209951 -8.80447 25.7772 -13.7817 # jumping subtree containing T0136:E 2 (1) jump= 0.939265 -0.283411 -0.039366 0.189501 -14.8988 33.1977 -12.663 # jumping subtree containing T0136:E 48 (47) jump= 0.53146 0.287267 0.643677 -0.469796 3.45768 -81.0152 -126.52 # jumping subtree containing T0136:T 70 (69) jump= -0.694854 -0.653549 0.167845 -0.248757 0.186725 -59.5233 -23.9614 # jumping subtree containing T0136:E 2 (1) jump= 0.26675 0.153611 0.726652 0.614186 13.7796 57.9405 -75.7814 # jumping subtree containing T0136:T 70 (69) jump= 0.806802 -0.250248 0.0300151 0.534364 -53.6107 47.8971 -29.8395 # jumping subtree containing T0136:E 48 (47) jump= 0.867762 -0.271258 -0.115311 0.40014 -19.5879 35.3536 -26.9809 # jumping subtree containing T0136:T 70 (69) jump= 0.80205 -0.515624 -0.223914 0.201765 -24.9344 43.7662 -40.9569 # jumping subtree containing T0136:S 58 (57) jump= -0.267939 -0.920434 0.0800641 0.273128 -39.4431 -68.8322 -127.203 # jumping subtree containing T0136:E 48 (47) jump= -0.519252 0.449585 0.315759 -0.654635 -101.276 27.0499 -56.1945 # jumping subtree containing T0136:T 70 (69) jump= -0.142075 0.308011 -0.818218 -0.46418 -41.1356 56.5497 -123.933 # generation 83: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6111 cost/residue, 114 clashes 0.0201297 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 219 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 239 ## OptSubtree 1277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.00622872 -0.391855 -0.333648 -0.857374 -14.2017 37.6355 -19.5325 # jumping subtree containing T0136:Q 41 (40) jump= -0.085839 0.451548 -0.00809019 0.888071 10.6676 3.79743 -10.891 # jumping subtree containing T0136:T 70 (69) jump= -0.974767 -0.195814 -0.0644846 -0.0856061 -1.48629 -33.8444 18.8956 # jumping subtree containing T0136:T 70 (69) jump= 0.655223 0.247908 0.555494 -0.44794 -42.9874 -74.7956 -82.0252 # jumping subtree containing T0136:R 34 (33) jump= 0.283448 0.449836 -0.0784438 -0.843298 -123.638 -10.4581 -80.9548 # jumping subtree containing T0136:A 1 (0) jump= 0.491152 0.427072 0.556532 0.516383 40.1633 18.318 -75.2491 # jumping subtree containing T0136:R 34 (33) jump= 0.475251 -0.606123 0.480334 0.419561 -18.5021 102.15 -116.98 # jumping subtree containing T0136:T 70 (69) jump= -0.361753 -0.885712 0.284124 -0.0626358 -10.9248 -11.3827 -138.811 # generation 84: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6048 cost/residue, 114 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 224 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 247 ## OptSubtree 1297 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= -0.99923 0.0228935 -0.00486757 -0.0314793 -4.65379 8.86826 -1.31664 # jumping subtree containing T0136:T 70 (69) jump= 0.038425 -0.703613 -0.326549 -0.629935 49.126 20.4336 -57.7657 # jumping subtree containing T0136:T 70 (69) jump= -0.810504 0.373686 -0.269747 -0.361495 -0.404889 51.4469 -43.1533 # jumping subtree containing T0136:T 70 (69) jump= 0.979507 -0.133638 -0.040516 -0.145137 -26.7023 30.8468 2.47595 # jumping subtree containing T0136:T 70 (69) jump= 0.110305 -0.263542 0.948445 -0.137222 -39.7252 -27.2142 -122.57 # jumping subtree containing T0136:V 16 (15) jump= 0.208575 -0.0389463 0.796356 -0.566389 -86.6741 -90.6065 -85.4462 # jumping subtree containing T0136:R 34 (33) jump= 0.997291 0.0336356 0.0369969 0.053949 -1.20237 28.1539 -8.28937 # jumping subtree containing T0136:R 34 (33) jump= -0.746477 -0.125904 -0.24675 -0.605009 3.26013 69.3607 -28.0813 # jumping subtree containing T0136:T 70 (69) jump= -0.154294 -0.258796 0.844354 -0.44304 -18.1872 -115.643 -156.096 # jumping subtree containing T0136:V 16 (15) jump= -0.316841 0.704204 0.443952 -0.454549 -139.166 68.9277 -156.546 # generation 85: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6047 cost/residue, 114 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 227 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 251 ## OptSubtree 1321 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 16 (15) jump= -0.0341344 0.0743405 -0.970228 -0.22796 -75.5988 35.9296 -152.349 # jumping subtree containing T0136:Q 22 (21) jump= -0.0658323 -0.346643 -0.304117 0.884883 -101.861 -33.9501 -48.1434 # jumping subtree containing T0136:V 16 (15) jump= -0.897726 0.118316 0.0823479 0.416303 -13.3728 37.2375 11.0699 # jumping subtree containing T0136:E 36 (35) jump= -0.210186 -0.21241 0.194948 0.934183 -118.731 -33.9375 -27.8829 # jumping subtree containing T0136:R 34 (33) jump= 0.959972 0.0277765 -0.248605 0.126009 -17.9547 -12.1704 -7.56047 # jumping subtree containing T0136:R 34 (33) jump= -0.425074 0.212872 -0.752163 0.456342 20.1939 -40.9358 -57.1585 # jumping subtree containing T0136:A 78 (77) jump= 0.765689 0.414873 0.238167 0.429974 30.112 1.74776 -5.0682 # jumping subtree containing T0136:R 34 (33) jump= 0.822707 -0.0532086 -0.418111 0.381451 -83.1439 2.9777 7.45462 # jumping subtree containing T0136:R 33 (32) jump= 0.697091 0.0494544 0.701079 0.141797 17.6964 23.6026 -115.315 # jumping subtree containing T0136:T 70 (69) jump= 0.859936 -0.233997 -0.198835 0.407701 -60.7723 2.53653 -19.5201 # jumping subtree containing T0136:T 70 (69) jump= 0.963951 0.173811 0.177139 -0.0959722 26.268 -24.9378 -19.302 # jumping subtree containing T0136:K 77 (76) jump= 0.822755 -0.0124758 -0.4714 0.317334 -103.463 -16.6617 -11.9451 # jumping subtree containing T0136:R 34 (33) jump= -0.95033 -0.266724 -0.0975447 0.127341 7.19471 -34.2842 -12.5509 # jumping subtree containing T0136:H 57 (56) jump= 0.392277 0.519686 -0.154736 -0.743036 -77.2409 -71.5544 -38.3058 # generation 86: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6047 cost/residue, 114 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 231 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 252 ## OptSubtree 1345 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.453101 0.381952 -0.268726 0.759341 -1.07739 -53.2037 -25.5342 # jumping subtree containing T0136:T 70 (69) jump= 0.94179 0.082496 0.320754 -0.0578154 28.0021 -25.5598 -47.8707 # jumping subtree containing T0136:T 70 (69) jump= 0.999775 -0.00454515 -0.0149079 -0.0144164 -0.415151 -12.0274 0.432541 # jumping subtree containing T0136:H 57 (56) jump= -0.999989 -0.00171833 -0.00348985 0.00268826 12.0954 5.72969 -2.49991 # jumping subtree containing T0136:T 70 (69) jump= -0.765146 0.119954 -0.0412138 -0.63124 -29.7463 3.06048 2.01621 # jumping subtree containing T0136:E 36 (35) jump= 0.500028 0.700412 0.113703 0.496454 18.4266 -16.0244 -44.7465 # jumping subtree containing T0136:T 70 (69) jump= -0.371794 -0.6818 -0.486812 0.399915 -11.2797 -71.9456 -83.9533 # jumping subtree containing T0136:T 70 (69) jump= -0.461106 0.69174 -0.128598 0.540685 52.815 22.0307 -68.1015 # jumping subtree containing T0136:V 16 (15) jump= 0.986129 -0.146692 0.035371 0.0691349 -0.752353 35.9829 -9.68175 # jumping subtree containing T0136:T 70 (69) jump= 0.721547 0.0283333 -0.610967 -0.32448 -79.9862 28.5619 -47.4038 # jumping subtree containing T0136:A 28 (27) jump= 0.391892 0.233886 -0.126122 0.880801 -31.2011 -4.12206 -8.97208 # generation 87: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6047 cost/residue, 114 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 236 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 252 ## OptSubtree 1367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.773178 0.134192 0.52111 0.335609 63.589 24.0132 -37.8019 # jumping subtree containing T0136:F 59 (58) jump= -0.949849 -0.305623 0.0379528 0.0542274 -3.54932 -36.9759 18.3462 # jumping subtree containing T0136:R 34 (33) jump= 0.963709 -0.065096 0.242221 -0.0914083 17.4041 -4.2402 -11.9154 # jumping subtree containing T0136:E 36 (35) jump= -0.839911 0.180845 0.201308 0.470446 -30.3877 -14.7617 -2.03742 # generation 88: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6047 cost/residue, 114 clashes 0.0201299 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 350 ## TwoFragment 8 ## CrossOver 240 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 252 ## OptSubtree 1387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.984694 0.0863284 0.149132 -0.0261676 -22.8305 35.8081 4.21802 # jumping subtree containing T0136:T 70 (69) jump= -0.492946 -0.263433 -0.333154 -0.759353 -7.65611 34.9021 -14.7537 # jumping subtree containing T0136:A 1 (0) jump= -0.0193581 -0.295582 0.725718 0.620959 -65.6617 23.4113 -91.4997 # jumping subtree containing T0136:R 49 (48) jump= -0.796967 -0.574503 -0.0658379 -0.174517 8.27119 -73.4857 -51.4912 # jumping subtree containing T0136:E 36 (35) jump= -0.406619 -0.654048 0.437331 -0.464353 -33.132 -84.1321 -22.4392 # jumping subtree containing T0136:F 65 (64) jump= 0.935643 -0.317412 -0.0329307 0.150791 -26.7847 50.2547 -2.71863 # jumping subtree containing T0136:E 36 (35) jump= 0.996716 0.00886709 0.0726953 -0.0345646 14.6431 -3.48991 -9.95222 # jumping subtree containing T0136:T 70 (69) jump= -0.0922491 -0.275562 0.237576 0.926884 -51.2516 10.7456 -31.0228 # jumping subtree containing T0136:V 79 (78) jump= 0.999977 0.00588679 0.00308754 -0.000910008 13.8017 -1.07767 -7.55946 # jumping subtree containing T0136:T 70 (69) jump= 0.614147 -0.283635 0.574695 -0.460543 35.2778 -38.5235 -74.2131 # jumping subtree containing T0136:R 49 (48) jump= -0.30266 0.765635 0.541238 -0.171062 -46.6941 13.8735 -155.688 # jumping subtree containing T0136:L 72 (71) jump= 0.941299 0.282654 -0.0917664 0.160128 -15.6676 -10.6992 4.01188 # jumping subtree containing T0136:A 1 (0) jump= 0.943107 0.102374 -0.0418749 0.313554 -19.1968 -3.67815 0.353953 # generation 89: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5881 cost/residue, 114 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 351 ## TwoFragment 8 ## CrossOver 240 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 252 ## OptSubtree 1412 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.193817 -0.833018 0.171535 0.48897 -57.2007 -0.708251 -119.971 # jumping subtree containing T0136:E 36 (35) jump= 0.303222 -0.215075 0.717599 -0.588941 -39.1426 -93.3985 -80.7662 # jumping subtree containing T0136:Q 41 (40) jump= 0.614041 0.0583808 -0.0546862 -0.78521 -64.1495 -67.1903 25.8913 # jumping subtree containing T0136:A 1 (0) jump= 0.722468 -0.650109 0.113016 -0.206459 16.8365 49.8033 -58.4021 # jumping subtree containing T0136:T 70 (69) jump= 0.605969 -0.0630426 0.0976629 -0.78695 8.56411 -62.1362 -2.41715 # jumping subtree containing T0136:R 34 (33) jump= -0.939969 -0.159407 0.203698 0.222609 -47.0759 -51.157 -3.46961 # generation 90: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5881 cost/residue, 114 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 351 ## TwoFragment 8 ## CrossOver 240 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 256 ## OptSubtree 1432 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 57 (56) jump= 0.868978 0.324039 -0.294248 0.230855 -55.1397 -50.1469 -1.71974 # jumping subtree containing T0136:E 36 (35) jump= 0.361696 -0.273236 -0.172058 -0.874594 -66.5827 18.7893 19.6656 # jumping subtree containing T0136:A 1 (0) jump= -0.643707 -0.678563 0.351972 -0.0361898 -45.1368 -90.772 -53.0361 # jumping subtree containing T0136:T 70 (69) jump= 0.40826 0.290129 -0.857999 -0.113957 -91.7797 -21.2355 -95.8174 # jumping subtree containing T0136:E 36 (35) jump= -0.60004 -0.0484282 -0.793943 -0.0852182 -14.0531 11.1993 -146.222 # jumping subtree containing T0136:E 36 (35) jump= 0.927544 0.0156601 -0.0668815 0.367346 -5.90873 32.7995 23.5234 # jumping subtree containing T0136:T 70 (69) jump= 0.871194 -0.300575 0.267532 -0.281251 19.4935 9.97598 -35.0629 # jumping subtree containing T0136:V 80 (79) jump= 0.23514 -0.405423 -0.724351 0.505625 -74.1884 -31.3435 -94.2127 # jumping subtree containing T0136:T 70 (69) jump= 0.0902239 -0.412361 0.839095 0.343128 -29.7156 28.2222 -122.746 # jumping subtree containing T0136:T 70 (69) jump= 0.979533 0.022726 0.0396756 -0.196021 -10.5168 -8.7478 13.5179 # jumping subtree containing T0136:V 25 (24) jump= 0.855492 0.121361 -0.303578 0.401553 -54.7574 -13.0958 33.2661 # jumping subtree containing T0136:T 70 (69) jump= 0.000810384 -0.699936 0.658054 0.277586 -35.2227 6.86747 -130.619 # jumping subtree containing T0136:V 62 (61) jump= -0.836209 0.116289 0.0539462 0.533218 6.06357 -17.5504 -9.16378 # jumping subtree containing T0136:T 70 (69) jump= 0.718824 0.352648 0.142553 -0.581902 -23.0728 -60.6502 -53.1875 # jumping subtree containing T0136:E 36 (35) jump= -0.635762 0.407783 -0.555382 -0.347952 -27.109 46.1237 -114.199 # jumping subtree containing T0136:T 70 (69) jump= 0.413699 0.90434 0.104579 0.00924079 4.23425 -52.2774 -91.4458 # generation 91: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5881 cost/residue, 114 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 351 ## TwoFragment 8 ## CrossOver 243 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 256 ## OptSubtree 1459 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.879236 -0.182386 0.128301 -0.420973 35.3989 -13.7744 -7.05377 # jumping subtree containing T0136:R 34 (33) jump= 0.445714 0.531922 0.130367 0.708098 9.2526 18.2153 -15.196 # jumping subtree containing T0136:T 70 (69) jump= 0.661933 0.109776 0.46998 0.573509 2.52562 46.3699 -30.3228 # jumping subtree containing T0136:V 80 (79) jump= -0.641947 0.14415 0.150047 0.737977 -27.5265 9.65267 -4.89745 # jumping subtree containing T0136:E 36 (35) jump= -0.699156 -0.144945 -0.627839 0.309823 27.1344 -55.2952 -116.593 # jumping subtree containing T0136:A 1 (0) jump= 0.749834 -0.332858 0.430706 -0.376094 41.9622 -46.6448 -60.2649 # jumping subtree containing T0136:T 70 (69) jump= 0.0452573 0.099132 -0.884587 0.453466 -41.9531 -60.0802 -127.902 # jumping subtree containing T0136:E 48 (47) jump= -0.440423 0.323405 -0.712374 -0.440409 -19.5633 34.9654 -113.978 # jumping subtree containing T0136:T 70 (69) jump= 0.820542 -0.379484 0.403266 0.141701 25.049 34.4055 -78.8307 # jumping subtree containing T0136:E 36 (35) jump= -0.131168 0.3674 0.350174 0.851581 -35.0534 42.7125 -17.2683 # jumping subtree containing T0136:F 73 (72) jump= -0.998222 -0.0411197 -0.0304489 -0.0305645 -3.36336 5.71459 -8.42715 # Removing break before 40 # jumping subtree containing T0136:T 70 (69) jump= 0.741943 -0.37693 -0.448087 -0.326592 -14.2019 47.6069 -48.618 # generation 92: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5881 cost/residue, 114 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 351 ## TwoFragment 8 ## CrossOver 245 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 256 ## OptSubtree 1481 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.982213 0.180845 -0.0505236 0.000892127 9.92494 44.1049 5.41451 # jumping subtree containing T0136:T 70 (69) jump= 0.979712 0.144166 -0.102398 0.0943135 -21.2894 -0.312393 -15.2031 # jumping subtree containing T0136:E 36 (35) jump= -0.406306 0.878587 0.201794 -0.149262 -45.9777 55.6076 -118.923 # jumping subtree containing T0136:Q 41 (40) jump= -0.739277 -0.431115 -0.14355 -0.496994 15.088 9.49197 -15.0506 # jumping subtree containing T0136:F 73 (72) jump= 0.966266 0.176253 0.0426459 0.18288 -8.1392 -5.45297 15.0403 # jumping subtree containing T0136:F 73 (72) jump= -0.637503 -0.380266 -0.0736664 0.666003 -26.9535 -87.3666 -22.5876 # generation 93: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.5881 cost/residue, 114 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 351 ## TwoFragment 8 ## CrossOver 250 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 256 ## OptSubtree 1504 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.149495 -0.45852 -0.0233674 0.875708 -95.5881 -20.4102 -49.3128 # jumping subtree containing T0136:N 4 (3) jump= -0.537814 0.135983 -0.778161 -0.294499 -17.2901 38.1855 -95.9724 # jumping subtree containing T0136:A 1 (0) jump= 0.167958 0.373206 0.852059 0.326347 9.92184 52.6665 -126.12 # jumping subtree containing T0136:E 36 (35) jump= -0.747321 0.109468 0.149551 0.638093 -12.9988 -30.3794 25.2482 # jumping subtree containing T0136:A 1 (0) jump= -0.332307 -0.448147 -0.822068 -0.113757 -3.78048 3.45665 -155.08 # jumping subtree containing T0136:A 1 (0) jump= 0.933185 -0.271106 -0.179587 -0.153023 8.13614 44.1789 -16.3009 # jumping subtree containing T0136:T 70 (69) jump= -0.888811 0.256448 0.0648242 0.374229 21.7683 14.7351 8.35849 # jumping subtree containing T0136:A 1 (0) jump= 0.968928 -0.0701549 0.0729909 -0.225676 5.55418 -2.33925 19.7106 # generation 94: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.447 cost/residue, 104 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 352 ## TwoFragment 8 ## CrossOver 254 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 256 ## OptSubtree 1523 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:T 70 (69) jump= -0.157113 -0.19287 0.0834867 -0.964959 8.19382 -36.2608 4.67204 # jumping subtree containing T0136:T 70 (69) jump= 0.373036 -0.233198 -0.0427836 -0.897013 -21.6794 -18.0266 -11.5971 # jumping subtree containing T0136:A 1 (0) jump= -0.375358 0.921617 0.0985098 0.00491748 -5.93544 35.5415 -128.184 # jumping subtree containing T0136:Q 41 (40) jump= 0.639246 -0.718196 -0.259878 -0.0895703 3.00063 68.7943 -55.1893 # jumping subtree containing T0136:V 80 (79) jump= -0.960788 0.275478 0.018766 -0.0254109 11.4742 31.2115 2.69471 # jumping subtree containing T0136:G 31 (30) jump= -0.911901 0.226542 0.247432 -0.236418 -45.8846 53.2747 -16.5916 # jumping subtree containing T0136:H 57 (56) jump= 0.168938 0.134807 -0.737057 -0.640339 -112.564 41.9544 -65.8177 # jumping subtree containing T0136:E 36 (35) jump= 0.36194 0.806291 0.268582 0.383091 36.6388 10.8068 -56.7687 # generation 95: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.447 cost/residue, 104 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 352 ## TwoFragment 8 ## CrossOver 255 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 257 ## OptSubtree 1545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:H 57 (56) jump= 0.187937 0.846117 -0.425887 -0.259589 -41.9843 -54.8986 -117.517 # jumping subtree containing T0136:R 34 (33) jump= 0.546566 -0.266996 0.636805 0.47377 -22.2481 65.7903 -86.8093 # jumping subtree containing T0136:F 73 (72) jump= -0.626383 -0.778202 0.0188881 -0.0411021 -3.92819 -52.2708 -44.8273 # jumping subtree containing T0136:T 70 (69) jump= -0.955188 -0.0599215 0.228011 0.178985 -25.4908 5.42927 15.0078 # jumping subtree containing T0136:Q 41 (40) jump= -0.664528 -0.723105 0.00877534 0.188265 -34.3928 -104.29 -97.6031 # jumping subtree containing T0136:E 36 (35) jump= -0.986058 -0.120715 -0.0739162 0.0874896 11.557 -1.69453 -17.2352 # jumping subtree containing T0136:T 70 (69) jump= -0.52885 -0.0584858 0.386494 -0.753339 -57.8951 -29.7974 -38.1681 # jumping subtree containing T0136:A 1 (0) jump= -0.929858 -0.347524 0.00573911 -0.120662 4.89784 -62.1338 -24.8028 # jumping subtree containing T0136:A 1 (0) jump= -0.999635 -0.00552295 0.025236 0.00796235 0.996314 13.4046 -18.6554 # jumping subtree containing T0136:P 56 (55) jump= 0.0750152 0.184898 -0.518156 0.831685 -50.0256 -87.8436 -10.3126 # jumping subtree containing T0136:K 67 (66) jump= 0.505394 -0.797002 0.076376 0.321763 -29.6819 52.4818 -109.903 # jumping subtree containing T0136:I 26 (25) jump= -0.834085 -0.0981118 -0.540441 -0.0509909 54.2475 2.51715 -78.1366 # jumping subtree containing T0136:Q 41 (40) jump= -0.0627592 0.707994 -0.703073 -0.022233 -80.7007 -50.0863 -158.57 # jumping subtree containing T0136:T 70 (69) jump= -0.502213 -0.444787 -0.478356 0.566677 -28.241 -68.4205 -75.3274 # generation 96: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.3937 cost/residue, 118 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 353 ## TwoFragment 8 ## CrossOver 257 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 257 ## OptSubtree 1571 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.0757413 0.781945 -0.371818 0.494547 34.637 -50.1183 -48.9191 # jumping subtree containing T0136:T 70 (69) jump= -0.340913 -0.428189 0.0376273 0.836072 -92.1731 -33.6875 -29.6808 # jumping subtree containing T0136:E 36 (35) jump= -0.743814 0.610702 0.117437 0.244933 -20.8742 51.0383 -33.914 # jumping subtree containing T0136:T 70 (69) jump= -0.106952 0.166628 0.17046 -0.965267 -81.7227 -26.4692 -27.3528 # jumping subtree containing T0136:R 69 (68) jump= 0.834036 0.284151 -0.184894 -0.435266 -25.6398 -64.5848 -1.68181 # jumping subtree containing T0136:Q 41 (40) jump= 0.727792 -0.0124066 -0.392731 -0.562074 -66.8661 3.35048 18.6279 # jumping subtree containing T0136:Q 41 (40) jump= -0.807663 0.321535 0.373385 0.323852 -50.8086 18.8774 -14.3037 # Removing break before 40 # jumping subtree containing T0136:T 70 (69) jump= 0.561569 -0.64598 0.0590964 0.51367 -66.2794 61.0139 -62.8087 # jumping subtree containing T0136:A 1 (0) jump= 0.707459 0.326501 0.619108 0.0979951 64.6542 -23.8179 -74.5041 # jumping subtree containing T0136:Q 41 (40) jump= 0.458653 0.553847 -0.0152346 0.694736 -6.46852 -23.3369 20.8985 # jumping subtree containing T0136:F 73 (72) jump= -0.34856 -0.6723 -0.438876 0.483639 -5.46967 -71.2688 -98.0656 # generation 97: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.3937 cost/residue, 118 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 353 ## TwoFragment 8 ## CrossOver 261 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 258 ## OptSubtree 1590 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.994179 -0.0951001 -0.0502202 0.006426 -30.7593 18.9482 -10.7974 # jumping subtree containing T0136:H 57 (56) jump= 0.864908 -0.293956 0.0821204 0.398472 -36.097 60.413 -9.12665 # jumping subtree containing T0136:Q 41 (40) jump= -0.612677 -0.0566169 0.735821 -0.282823 -112.611 -22.1312 -26.1992 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= -0.859094 0.021266 0.396778 0.322603 -76.2483 13.9869 -7.99851 # jumping subtree containing T0136:Q 41 (40) jump= -0.474081 -0.874721 -0.0322713 -0.0952317 -5.63359 -42.5104 -97.3873 # generation 98: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.3937 cost/residue, 118 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 353 ## TwoFragment 8 ## CrossOver 266 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 258 ## OptSubtree 1615 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.351573 0.456927 0.074164 -0.813704 -68.679 15.7003 -71.1214 # jumping subtree containing T0136:R 34 (33) jump= -0.995705 -0.0878583 0.0254165 -0.0143625 -15.8944 -32.6076 15.7086 # jumping subtree containing T0136:V 79 (78) jump= -0.732043 0.559129 -0.155343 -0.356872 -37.353 49.5464 -77.5036 # jumping subtree containing T0136:R 34 (33) jump= -0.605771 -5.93504e-05 -0.193022 0.77187 -27.6267 -54.3022 -22.4316 # jumping subtree containing T0136:T 70 (69) jump= 0.118276 -0.823472 -0.251034 0.49486 -60.9332 -25.5321 -136.597 # jumping subtree containing T0136:H 57 (56) jump= 0.0461449 0.219613 0.7821 -0.581344 -66.5983 -61.2979 -98.0387 # jumping subtree containing T0136:T 70 (69) jump= -0.95434 0.212914 0.0185333 0.208707 -18.1153 29.1104 -21.2729 # jumping subtree containing T0136:E 36 (35) jump= -0.950361 -0.263003 -0.05397 0.157261 6.50081 -30.4501 1.28668 # jumping subtree containing T0136:R 34 (33) jump= -0.151525 0.94619 0.186858 -0.216447 -26.5836 51.2163 -128.205 # jumping subtree containing T0136:R 34 (33) jump= 0.376745 0.31222 -0.180262 -0.853281 -131.528 -31.1573 -51.9637 # jumping subtree containing T0136:T 70 (69) jump= -0.489667 -0.382207 0.415561 -0.66442 -3.21986 -66.5073 -36.5013 # jumping subtree containing T0136:A 1 (0) jump= -0.431583 -0.574188 -0.478735 0.504834 -39.4948 -109.104 -119.605 # jumping subtree containing T0136:E 36 (35) jump= -0.577032 0.723053 -0.278195 0.258527 37.0968 -15.9528 -102.093 # generation 99: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.2153 cost/residue, 144 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 354 ## TwoFragment 8 ## CrossOver 269 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 258 ## OptSubtree 1635 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.728431 -0.194532 -0.656129 -0.0322539 -94.8059 15.1902 -35.8984 # jumping subtree containing T0136:A 1 (0) jump= -0.590111 -0.117361 -0.235017 0.763389 -3.91967 -86.2086 -38.9729 # jumping subtree containing T0136:T 70 (69) jump= 0.199743 0.619949 -0.74582 0.139707 -46.4563 -37.7858 -116.583 # jumping subtree containing T0136:A 1 (0) jump= 0.35774 -0.347142 0.193962 0.844922 -81.5243 35.6931 -52.8648 # jumping subtree containing T0136:K 77 (76) jump= -0.45803 0.19261 -0.739988 0.453352 15.6863 -55.6581 -80.03 # jumping subtree containing T0136:A 1 (0) jump= 0.301249 -0.707239 -0.512217 -0.383009 11.8361 51.2675 -59.626 # jumping subtree containing T0136:H 57 (56) jump= 0.96062 0.00540494 -0.16924 -0.220314 -40.5091 8.5877 12.6924 # jumping subtree containing T0136:Q 41 (40) jump= 0.925531 -0.300105 -0.12947 0.191224 -40.7736 58.8844 -15.629 # jumping subtree containing T0136:H 57 (56) jump= -0.433144 0.156226 -0.883169 0.0893979 -2.0426 -37.4122 -131.732 # jumping subtree containing T0136:H 57 (56) jump= 0.668094 0.709258 -0.219043 -0.0512241 -37.1856 -77.2334 -50.1246 # generation 100: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.2153 cost/residue, 144 clashes 0.0193927 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 356 ## TwoFragment 8 ## CrossOver 271 ## CrossAndInsert 50 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 259 ## OptSubtree 1657 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1268505976.pdb -s /projects/compbio/tmp/to_scwrl_1268505976.seq -o /projects/compbio/tmp/from_scwrl_1268505976.pdb -a /projects/compbio/tmp/from_scwrl_1268505976_a.pdb -b /projects/compbio/tmp/from_scwrl_1268505976_b.pdb > /projects/compbio/tmp/scwrl_1268505976.log # T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA-scwrl 60.7836 cost/residue 144 clashes 0.0193927 breaks # iteration 12 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 71.8314 cost/residue, 91 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 12 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 0 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0136.try1-al10 71.3653 cost/residue, 115 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 23 ## InsertFragment 25 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 70.2456 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 39 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.3791 cost/residue, 129 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 39 ## InsertFragment 55 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 0 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 67.2882 cost/residue, 129 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 42 ## InsertFragment 72 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 9 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.953 cost/residue, 137 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 48 ## InsertFragment 88 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.788 cost/residue, 123 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 53 ## InsertFragment 105 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.788 cost/residue, 123 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 124 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.6682 cost/residue, 140 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 57 ## InsertFragment 140 ## TwoFragment 2 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 46 # Removing break before 46 # generation 10: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.6682 cost/residue, 140 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 64 ## InsertFragment 147 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 17 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 7 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.6682 cost/residue, 140 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 67 ## InsertFragment 161 ## TwoFragment 2 ## CrossOver 3 ## CrossAndInsert 18 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 8 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 19 (18) jump= -0.561936 -0.210443 -0.240456 0.76297 -8.77546 21.8569 -10.5881 # generation 12: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.5426 cost/residue, 133 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 68 ## InsertFragment 176 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 18 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 10 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.5212 cost/residue, 139 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 72 ## InsertFragment 186 ## TwoFragment 3 ## CrossOver 4 ## CrossAndInsert 19 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 13 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 44 # generation 14: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.5212 cost/residue, 139 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 73 ## InsertFragment 201 ## TwoFragment 3 ## CrossOver 6 ## CrossAndInsert 20 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 14 ## OptSubtree 19 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # generation 15: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.5212 cost/residue, 139 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 78 ## InsertFragment 209 ## TwoFragment 3 ## CrossOver 8 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 17 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 55 # Removing break before 57 # generation 16: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.7713 cost/residue, 163 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 79 ## InsertFragment 225 ## TwoFragment 3 ## CrossOver 9 ## CrossAndInsert 20 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 19 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # generation 17: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.7713 cost/residue, 163 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 80 ## InsertFragment 240 ## TwoFragment 3 ## CrossOver 9 ## CrossAndInsert 21 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 24 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 18: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.7713 cost/residue, 163 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 250 ## TwoFragment 3 ## CrossOver 12 ## CrossAndInsert 21 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 28 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.7543 cost/residue, 163 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 81 ## InsertFragment 257 ## TwoFragment 3 ## CrossOver 15 ## CrossAndInsert 22 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 35 ## OptSubtree 37 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.109528 -0.599179 -0.302199 -0.733256 -13.2733 16.9072 -24.7773 # generation 20: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.5596 cost/residue, 167 clashes 0.029403 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 268 ## TwoFragment 3 ## CrossOver 17 ## CrossAndInsert 22 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 40 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.575275 0.132792 -0.77342 -0.230751 27.6041 25.2144 -3.17681 # generation 21: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.4674 cost/residue, 162 clashes 0.0423817 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 276 ## TwoFragment 4 ## CrossOver 19 ## CrossAndInsert 22 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 48 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.973703 0.188225 -0.00995406 0.127961 -16.2179 -0.0732424 6.90887 # jumping subtree containing T0136:A 1 (0) jump= 0.103171 0.822204 0.323486 0.456828 -7.00144 12.0148 12.4344 # generation 22: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.3432 cost/residue, 157 clashes 0.0213533 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 277 ## TwoFragment 4 ## CrossOver 22 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 59 ## OptSubtree 53 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.3432 cost/residue, 157 clashes 0.0213533 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 280 ## TwoFragment 4 ## CrossOver 24 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 69 ## OptSubtree 62 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= 0.284987 0.642215 0.65574 -0.27631 28.7552 -43.0538 20.8423 # jumping subtree containing T0136:A 1 (0) jump= -0.826951 0.535215 -0.11681 0.1267 12.3232 5.8723 23.2747 # generation 24: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.2282 cost/residue, 159 clashes 0.0423817 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 285 ## TwoFragment 4 ## CrossOver 27 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 75 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 11 (10) jump= 0.88479 0.372752 -0.129527 -0.247841 15.381 3.85261 1.71374 # generation 25: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.7548 cost/residue, 167 clashes 0.0428326 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 288 ## TwoFragment 4 ## CrossOver 28 ## CrossAndInsert 22 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 83 ## OptSubtree 81 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= -0.799669 -0.590379 0.0910069 0.0608283 1.09843 -48.1688 8.21124 # jumping subtree containing T0136:A 1 (0) jump= -0.874093 -0.256462 0.221482 -0.348043 1.46916 21.669 -18.431 # generation 26: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.7548 cost/residue, 167 clashes 0.0428326 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 290 ## TwoFragment 4 ## CrossOver 29 ## CrossAndInsert 22 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 92 ## OptSubtree 93 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.219689 0.736446 0.505696 -0.391988 -9.27394 -0.282978 -27.0961 # jumping subtree containing T0136:F 65 (64) jump= 0.645629 -0.607912 -0.178392 0.42636 -25.5307 -20.0467 -4.76693 # jumping subtree containing T0136:A 1 (0) jump= 0.312963 -0.375496 0.109773 0.865452 -22.0614 33.779 2.4625 # generation 27: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.7548 cost/residue, 167 clashes 0.0428326 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 291 ## TwoFragment 4 ## CrossOver 30 ## CrossAndInsert 22 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 100 ## OptSubtree 107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.937528 -0.201811 -0.0782296 -0.272384 9.72408 -5.73611 -4.89446 # jumping subtree containing T0136:R 69 (68) jump= 0.725198 0.304464 -0.470372 -0.400175 7.38798 -5.27777 31.9399 # generation 28: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.6796 cost/residue, 163 clashes 0.053676 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 292 ## TwoFragment 4 ## CrossOver 30 ## CrossAndInsert 22 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 109 ## OptSubtree 121 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.948073 0.206579 -0.222112 0.0956492 -6.02595 13.3634 -1.56197 # jumping subtree containing T0136:E 36 (35) jump= -0.85327 0.243618 0.327083 0.324957 -0.251279 -10.8947 -17.0256 # jumping subtree containing T0136:R 69 (68) jump= -0.247131 -0.388102 -0.81044 0.362616 -19.6101 -4.90583 32.5391 # generation 29: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5976 cost/residue, 168 clashes 0.0491821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 293 ## TwoFragment 4 ## CrossOver 31 ## CrossAndInsert 22 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 119 ## OptSubtree 133 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing T0136:R 69 (68) jump= -0.791093 0.578028 0.174533 0.0979459 3.25711 -7.37422 33.9715 # jumping subtree containing T0136:E 36 (35) jump= -0.962452 -0.0381563 -0.127928 0.236356 28.5004 3.73857 0.863906 # jumping subtree containing T0136:E 36 (35) jump= -0.779047 0.286521 0.276904 0.484061 10.7383 -26.2817 17.7269 # Removing break before 68 # generation 30: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5976 cost/residue, 168 clashes 0.0491821 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 293 ## TwoFragment 4 ## CrossOver 31 ## CrossAndInsert 22 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 130 ## OptSubtree 146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 31: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.3599 cost/residue, 167 clashes 0.0621539 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 294 ## TwoFragment 4 ## CrossOver 31 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 142 ## OptSubtree 156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # generation 32: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.3599 cost/residue, 167 clashes 0.0621539 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 83 ## InsertFragment 294 ## TwoFragment 4 ## CrossOver 31 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 153 ## OptSubtree 169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.968762 -0.0548686 -0.0913254 0.223939 8.24586 -29.7631 19.0163 # jumping subtree containing T0136:V 62 (61) jump= 0.901604 -0.0214735 0.0839078 0.423802 -32.2195 10.6878 -4.96135 # jumping subtree containing T0136:G 29 (28) jump= 0.626948 0.332267 0.597637 0.373316 -0.862871 20.9002 -10.8821 # generation 33: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.3525 cost/residue, 167 clashes 0.0621539 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 296 ## TwoFragment 4 ## CrossOver 32 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 168 ## OptSubtree 180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= -0.840572 0.0383862 0.0956261 0.531809 -21.9971 -38.5896 13.4048 # jumping subtree containing T0136:V 79 (78) jump= 0.967462 -0.233122 0.0178138 -0.0967172 4.03262 22.9354 18.0541 # generation 34: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.2497 cost/residue, 162 clashes 0.0589891 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 297 ## TwoFragment 4 ## CrossOver 33 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 178 ## OptSubtree 192 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 43 (42) jump= 0.606124 -0.628968 -0.125442 -0.470401 -44.4704 -36.6893 30.4368 # jumping subtree containing T0136:A 78 (77) jump= -0.656688 0.146346 0.726185 -0.141419 -60.3818 -1.20652 -13.987 # jumping subtree containing T0136:V 79 (78) jump= -0.99995 -0.00372513 0.00487651 0.00786429 22.3543 -4.69978 -3.39366 # Removing break before 20 # generation 35: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1404 cost/residue, 160 clashes 0.0487243 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 297 ## TwoFragment 4 ## CrossOver 35 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 185 ## OptSubtree 207 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.949967 -0.128936 0.256795 -0.122453 -2.9318 8.75794 38.7984 # Removing break moved up 3 to before 38 # generation 36: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1404 cost/residue, 160 clashes 0.0487243 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 299 ## TwoFragment 4 ## CrossOver 35 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 198 ## OptSubtree 222 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 38 # generation 37: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1404 cost/residue, 160 clashes 0.0487243 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 301 ## TwoFragment 4 ## CrossOver 35 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 215 ## OptSubtree 238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.480327 -0.658048 -0.567972 -0.116901 -4.68701 19.9923 2.24598 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:E 36 (35) jump= 0.785787 -0.401063 0.241873 0.403962 11.3944 27.7611 10.35 # jumping subtree containing T0136:E 36 (35) jump= -0.69648 0.368703 0.552959 0.270573 -25.0658 16.6616 39.2986 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= -0.957968 0.0349206 0.255862 0.124954 -20.9532 23.237 9.43864 # jumping subtree containing T0136:V 79 (78) jump= -0.885234 0.0319753 0.118508 -0.448659 -14.7541 0.817346 25.1003 # jumping subtree containing T0136:A 1 (0) jump= 0.832847 -0.500663 -0.195928 0.131582 -19.6998 24.1939 19.2937 # generation 38: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7234 cost/residue, 147 clashes 0.0487243 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 303 ## TwoFragment 4 ## CrossOver 35 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 223 ## OptSubtree 252 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= -0.344479 0.636116 -0.63554 0.269777 -12.6218 -49.3526 -32.3599 # jumping subtree containing T0136:V 79 (78) jump= 0.993728 0.0332217 -0.106743 -0.00281152 14.2925 -0.178316 10.0215 # generation 39: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7234 cost/residue, 147 clashes 0.0487242 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 84 ## InsertFragment 305 ## TwoFragment 4 ## CrossOver 37 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 233 ## OptSubtree 262 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # jumping subtree containing T0136:A 28 (27) jump= 0.480307 -0.0344344 0.619181 -0.620269 -63.0572 -64.7885 -37.0474 # generation 40: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7234 cost/residue, 147 clashes 0.0487243 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 306 ## TwoFragment 4 ## CrossOver 38 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 250 ## OptSubtree 276 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 39 (38) jump= 0.40581 0.46227 0.534952 -0.579182 -24.1489 -35.0967 -40.7782 # jumping subtree containing T0136:V 79 (78) jump= -0.519413 0.414785 0.553344 -0.501971 -39.8737 27.4174 -23.1464 # jumping subtree containing T0136:A 1 (0) jump= -0.162669 0.203428 0.892803 0.367504 -31.3175 25.1211 -20.0503 # jumping subtree containing T0136:V 79 (78) jump= -0.897746 -0.339801 0.269125 0.078483 6.09283 -36.9713 -0.260342 # jumping subtree containing T0136:E 36 (35) jump= 0.910481 -0.0740784 -0.366407 -0.176869 -5.50876 15.4008 15.249 # Removing break before 21 # generation 41: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7175 cost/residue, 144 clashes 0.0487242 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 307 ## TwoFragment 4 ## CrossOver 38 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 258 ## OptSubtree 297 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 21 (20) jump= -0.104634 -0.686076 -0.719966 -0.00069092 -36.2711 46.9467 -17.1886 # jumping subtree containing T0136:V 79 (78) jump= 0.332329 -0.516524 0.634548 -0.469158 -11.3018 -6.06466 -16.9722 # jumping subtree containing T0136:E 36 (35) jump= -0.789305 0.0680321 -0.231228 -0.564715 -8.86673 23.4282 4.48534 # jumping subtree containing T0136:I 26 (25) jump= 0.434192 -0.476062 -0.743034 -0.180949 -45.4983 24.6255 8.14766 # jumping subtree containing T0136:R 49 (48) jump= 0.989902 -0.0932722 0.0728419 0.0780321 -2.89488 14.4049 24.1719 # generation 42: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7175 cost/residue, 144 clashes 0.0487242 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 307 ## TwoFragment 4 ## CrossOver 39 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 270 ## OptSubtree 308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.626366 -0.0208593 0.205853 -0.751569 -26.8958 -36.7405 -11.491 # jumping subtree containing T0136:G 63 (62) jump= -0.927192 0.233026 0.276244 -0.0985031 -12.1678 22.3212 0.455071 # jumping subtree containing T0136:R 23 (22) jump= 0.131498 -0.394587 -0.869294 -0.26709 -81.6364 25.8812 11.5169 # jumping subtree containing T0136:E 21 (20) jump= 0.929986 -0.298456 -0.04789 0.209182 4.89782 30.7078 30.557 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:R 47 (46) jump= 0.86356 -0.204786 -0.460629 -0.0121334 4.87131 19.8911 6.91071 # generation 43: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.7117 cost/residue, 147 clashes 0.0487241 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 309 ## TwoFragment 4 ## CrossOver 39 ## CrossAndInsert 22 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 285 ## OptSubtree 324 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.821482 0.516608 0.200084 0.135092 -7.2696 -23.1529 20.0417 # jumping subtree containing T0136:E 36 (35) jump= 0.649816 -0.477428 0.572095 0.150029 -19.8531 7.2122 -49.8739 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= -0.959288 -0.0797882 -0.203733 0.178588 -1.55447 -25.4991 -26.0723 # generation 44: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0306 cost/residue, 164 clashes 0.0487241 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 311 ## TwoFragment 4 ## CrossOver 39 ## CrossAndInsert 22 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 298 ## OptSubtree 335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.980164 -0.0173266 -0.0682415 -0.185259 -12.1335 6.81144 16.1716 # jumping subtree containing T0136:R 23 (22) jump= 0.57502 0.360433 0.577445 0.453869 -47.559 51.1548 -24.5625 # jumping subtree containing T0136:A 1 (0) jump= 0.547073 0.760304 0.117096 0.330057 -7.30812 -5.98334 -31.9714 # jumping subtree containing T0136:E 21 (20) jump= 0.776063 -0.295682 0.496882 0.251808 -2.80189 -16.7372 -33.6766 # jumping subtree containing T0136:A 1 (0) jump= -0.862986 -0.42146 0.25021 -0.122563 2.76212 -27.9637 19.3032 # generation 45: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0306 cost/residue, 164 clashes 0.0487241 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 312 ## TwoFragment 4 ## CrossOver 40 ## CrossAndInsert 22 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 311 ## OptSubtree 352 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.783057 0.0406002 0.609056 -0.119265 -20.6191 -20.5912 21.722 # jumping subtree containing T0136:E 36 (35) jump= 0.99475 0.0891889 0.02979 -0.0403756 -15.6826 -26.3823 5.15145 # generation 46: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0306 cost/residue, 164 clashes 0.0487241 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 312 ## TwoFragment 4 ## CrossOver 40 ## CrossAndInsert 22 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 326 ## OptSubtree 368 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.932677 -0.336251 0.0522563 0.119662 -24.899 6.06256 4.19499 # Removing break before 20 # jumping subtree containing T0136:A 1 (0) jump= -0.884549 0.359443 0.171075 -0.243119 -22.7976 34.1274 -4.36195 # jumping subtree containing T0136:E 21 (20) jump= -0.905327 0.26338 0.0939854 -0.319657 7.46553 -9.53638 -23.134 # jumping subtree containing T0136:T 71 (70) jump= 0.99642 -0.0608531 0.0568557 -0.0145214 10.1977 14.5848 0.842985 # generation 47: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0306 cost/residue, 164 clashes 0.0487241 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 312 ## TwoFragment 4 ## CrossOver 40 ## CrossAndInsert 22 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 341 ## OptSubtree 387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.589339 0.070882 0.671794 0.443112 -24.6305 -50.6864 49.4114 # jumping subtree containing T0136:E 36 (35) jump= -0.19519 -0.940957 -0.0589927 -0.270222 -10.2936 -12.8774 35.5824 # jumping subtree containing T0136:V 79 (78) jump= 0.0461428 0.816613 0.323938 -0.475477 -43.1928 -32.7677 -38.0652 # jumping subtree containing T0136:V 79 (78) jump= 0.699232 0.191083 -0.0810868 -0.684096 -15.4452 -22.4208 -3.16598 # jumping subtree containing T0136:H 57 (56) jump= 0.788566 0.439674 0.239926 0.356772 -23.4673 -19.9393 21.4344 # generation 48: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0306 cost/residue, 164 clashes 0.0487241 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 312 ## TwoFragment 4 ## CrossOver 40 ## CrossAndInsert 22 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 359 ## OptSubtree 400 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 36 (35) jump= 0.0799329 0.67599 0.729967 -0.0616212 21.0135 -40.6812 -15.936 # Removing break moved up 3 to before 38 # Removing break moved up 3 to before 38 # jumping subtree containing T0136:A 1 (0) jump= 0.136012 0.965746 0.0777621 -0.206852 -10.5632 18.9429 -34.4398 # jumping subtree containing T0136:Q 24 (23) jump= 0.899427 -0.391134 -0.192959 0.0284891 7.73464 -15.3474 18.5266 # jumping subtree containing T0136:V 79 (78) jump= 0.966626 -0.0658577 -0.202808 -0.142006 22.246 0.723565 -19.4486 # jumping subtree containing T0136:E 36 (35) jump= -0.59858 -0.54088 0.359329 0.469077 -15.104 -28.0632 0.489008 # jumping subtree containing T0136:V 79 (78) jump= -0.634355 -0.518582 0.399999 -0.410691 -79.009 -31.0271 55.5262 # generation 49: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.0306 cost/residue, 164 clashes 0.0487241 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 312 ## TwoFragment 4 ## CrossOver 41 ## CrossAndInsert 22 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 369 ## OptSubtree 413 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.785623 -0.564823 0.0732182 -0.241683 24.1055 -32.3029 -5.48773 # jumping subtree containing T0136:A 1 (0) jump= 0.975351 0.0189213 0.0244618 -0.218481 5.21331 -1.33202 -11.9421 # jumping subtree containing T0136:S 58 (57) jump= -0.984018 -0.0778398 0.0545659 0.150574 13.3915 -29.6474 -3.96965 # jumping subtree containing T0136:V 79 (78) jump= 0.592419 -0.803374 -0.0567495 -0.0202275 18.539 -1.91151 -53.3125 # jumping subtree containing T0136:K 77 (76) jump= -0.911429 -0.075371 0.210006 0.345708 9.48725 -22.8401 19.3806 # jumping subtree containing T0136:L 50 (49) jump= -0.991761 0.0364072 -0.122817 0.000263467 14.3124 -17.0483 -8.1108 # generation 50: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9098 cost/residue, 165 clashes 0.0382562 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 313 ## TwoFragment 4 ## CrossOver 41 ## CrossAndInsert 22 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 378 ## OptSubtree 426 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.975478 0.00826695 -0.0452728 -0.215231 -9.38056 -9.40575 -10.7917 # jumping subtree containing T0136:E 36 (35) jump= -0.464051 -0.24628 -0.653132 -0.545363 -103.633 -11.6165 28.3762 # generation 51: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8355 cost/residue, 162 clashes 0.0520298 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 316 ## TwoFragment 4 ## CrossOver 42 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 386 ## OptSubtree 437 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 58 (57) jump= 0.0721255 -0.136698 0.692532 0.704636 -33.7932 -55.7053 28.0243 # jumping subtree containing T0136:A 1 (0) jump= 0.747013 0.651306 -0.133051 0.00831546 -15.4376 -6.22888 22.8575 # jumping subtree containing T0136:V 79 (78) jump= -0.663022 -0.652537 0.359668 0.0723578 -7.09007 10.7262 51.8552 # jumping subtree containing T0136:V 79 (78) jump= -0.729575 0.455987 -0.451939 0.235684 -30.4984 -64.1233 -41.9727 # jumping subtree containing T0136:S 58 (57) jump= 0.933207 0.349639 -0.0364955 0.0744632 -17.7729 -10.707 11.9734 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= -0.968219 -0.239702 0.0699378 0.0142514 12.0575 -18.9593 27.0056 # generation 52: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8355 cost/residue, 162 clashes 0.0520298 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 316 ## TwoFragment 4 ## CrossOver 42 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 404 ## OptSubtree 452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 16 (15) jump= 0.195726 0.110884 -0.243304 -0.943504 -38.7589 -82.3161 17.8825 # Removing break before 37 # Removing break before 37 # generation 53: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7753 cost/residue, 158 clashes 0.0312588 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 318 ## TwoFragment 4 ## CrossOver 43 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 415 ## OptSubtree 468 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= -0.911127 -0.300751 -0.232651 -0.158967 -30.4121 8.62782 10.5265 # jumping subtree containing T0136:V 16 (15) jump= 0.851253 -0.482729 -0.205452 -0.0114482 29.3687 0.503981 -29.4164 # jumping subtree containing T0136:V 79 (78) jump= 0.838356 0.250622 0.483499 -0.0239993 -11.5241 -14.8458 -1.88161 # jumping subtree containing T0136:Q 38 (37) jump= -0.0519342 -0.80933 -0.516398 -0.274994 13.2495 -71.9794 17.7235 # jumping subtree containing T0136:R 33 (32) jump= -0.840154 0.442767 -0.221329 0.221612 25.063 -32.042 -65.3102 # jumping subtree containing T0136:V 16 (15) jump= 0.916964 -0.372363 0.130819 0.0583834 -18.4667 0.632656 -19.8492 # jumping subtree containing T0136:V 79 (78) jump= -0.787674 -0.160308 -0.166597 0.571066 16.7327 -39.9328 -22.7934 # Removing break before 37 # Removing break before 37 # generation 54: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7673 cost/residue, 162 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 320 ## TwoFragment 4 ## CrossOver 44 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 428 ## OptSubtree 482 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.827495 0.35564 -0.401163 0.166855 -5.68977 -63.7149 -54.034 # jumping subtree containing T0136:V 79 (78) jump= -0.868775 -0.185943 0.260288 0.378027 -0.0852032 -55.6533 55.3256 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= 0.995228 0.000144751 0.0942893 -0.0251145 -3.16914 26.3855 2.03188 # generation 55: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7242 cost/residue, 159 clashes 0.029481 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 321 ## TwoFragment 4 ## CrossOver 47 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 452 ## OptSubtree 492 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.513032 0.488858 0.491994 -0.505725 -29.7757 0.547772 -16.075 # jumping subtree containing T0136:R 33 (32) jump= -0.0697321 0.33298 0.0385953 0.939559 -12.3677 -126.433 13.0589 # jumping subtree containing T0136:R 33 (32) jump= -0.198406 -0.483039 0.0249022 -0.85246 -34.1958 -87.2214 -1.5042 # jumping subtree containing T0136:V 79 (78) jump= -0.610765 0.0029225 -0.782839 -0.118828 -64.5626 1.41934 -21.5175 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= 0.260114 -0.458758 -0.332077 -0.782053 21.0673 -64.2264 33.8166 # jumping subtree containing T0136:A 1 (0) jump= -0.946964 0.202412 0.0174006 -0.248968 -34.8268 14.2165 2.43941 # generation 56: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.6258 cost/residue, 163 clashes 0.0305175 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 323 ## TwoFragment 4 ## CrossOver 47 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 461 ## OptSubtree 513 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.8014 0.505577 0.209729 -0.241171 6.2244 -51.7607 7.37647 # Removing break before 20 # jumping subtree containing T0136:A 1 (0) jump= 0.965764 -0.202781 0.161736 -0.00471696 -24.3222 -8.16575 -23.0611 # generation 57: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4894 cost/residue, 158 clashes 0.0453416 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 325 ## TwoFragment 4 ## CrossOver 49 ## CrossAndInsert 22 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 475 ## OptSubtree 530 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.116103 0.735318 -0.500045 -0.442474 -76.087 -63.2698 -53.6798 # Removing break before 64 # Removing break before 32 # jumping subtree containing T0136:V 79 (78) jump= -0.782911 0.137685 -0.023672 -0.606245 -86.1363 -1.5791 1.00649 # jumping subtree containing T0136:E 21 (20) jump= 0.858022 -0.506139 -0.082626 0.0281967 -18.6182 -23.3388 -59.2801 # jumping subtree containing T0136:A 1 (0) jump= 0.826836 -0.561797 -0.00744564 -0.0258948 8.62071 -28.7804 -106.142 # jumping subtree containing T0136:E 21 (20) jump= -0.619082 0.328596 -0.551625 -0.452186 -53.3728 -33.2581 -22.2426 # jumping subtree containing T0136:A 1 (0) jump= -0.879289 -0.171901 -0.392444 0.20806 22.1741 -22.0785 2.35004 # jumping subtree containing T0136:R 33 (32) jump= -0.178271 0.426003 0.711951 -0.529024 -34.0694 -39.0348 -92.6098 # generation 58: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4861 cost/residue, 160 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 327 ## TwoFragment 4 ## CrossOver 52 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 490 ## OptSubtree 542 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.578242 0.731155 0.248651 -0.2631 28.5168 -38.7627 -12.4748 # jumping subtree containing T0136:R 15 (14) jump= 0.738038 -0.674165 -0.0127004 0.025291 -24.9132 -64.2237 -65.6455 # jumping subtree containing T0136:A 1 (0) jump= 0.973622 -0.0828936 0.0940142 0.190655 -7.59097 12.0897 9.8917 # Removing break before 20 # jumping subtree containing T0136:A 1 (0) jump= 0.483879 -0.721384 -0.410354 -0.277626 16.4176 -47.0149 19.0314 # generation 59: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3911 cost/residue, 162 clashes 0.0463782 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 327 ## TwoFragment 4 ## CrossOver 53 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 506 ## OptSubtree 559 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= 0.593416 -0.0775156 -0.690318 -0.406583 2.09222 -3.41211 11.9052 # jumping subtree containing T0136:R 33 (32) jump= 0.486319 -0.432013 -0.316032 -0.690639 5.35065 -61.9719 4.42659 # generation 60: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3911 cost/residue, 162 clashes 0.0463782 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 328 ## TwoFragment 4 ## CrossOver 53 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 517 ## OptSubtree 577 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.459005 0.294108 -0.473907 -0.69154 -21.2635 -40.0434 20.3255 # jumping subtree containing T0136:V 79 (78) jump= -0.569136 -0.0410822 0.809877 0.136 -24.3998 -4.53105 16.7599 # jumping subtree containing T0136:R 33 (32) jump= -0.970255 -0.238192 0.00684038 0.0427043 8.4982 -8.98543 22.7555 # jumping subtree containing T0136:A 1 (0) jump= -0.657938 -0.222464 -0.689166 0.206585 -12.9978 -6.54723 -50.176 # jumping subtree containing T0136:A 1 (0) jump= -0.890434 -0.189213 -0.0690917 0.408108 32.8199 -30.2372 21.1022 # generation 61: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3345 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 4 ## CrossOver 54 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 533 ## OptSubtree 591 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.793391 -0.320712 -0.372089 0.359478 -22.571 -7.83482 -23.8752 # jumping subtree containing T0136:E 17 (16) jump= 0.172305 -0.262397 -0.94936 -0.0131674 -73.0794 5.28266 -28.7082 # jumping subtree containing T0136:V 79 (78) jump= -0.468891 0.814962 0.206633 -0.270705 20.1781 -32.9974 -28.3389 # jumping subtree containing T0136:L 50 (49) jump= -0.953237 -0.127347 0.241384 -0.129827 3.72828 14.7372 32.1481 # Removing break before 32 # jumping subtree containing T0136:V 79 (78) jump= -0.657 0.723403 -0.17799 0.115579 -21.0868 -38.9467 -47.1778 # Removing break before 32 # generation 62: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3345 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 4 ## CrossOver 56 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 552 ## OptSubtree 602 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 49 (48) jump= 0.415268 -0.810304 -0.151243 0.384819 -14.4797 -66.9268 -62.569 # jumping subtree containing T0136:R 33 (32) jump= -0.598668 0.632779 -0.332864 -0.361094 -44.3321 11.8811 -82.1873 # jumping subtree containing T0136:V 79 (78) jump= 0.806331 0.119358 -0.560171 -0.147624 -6.49961 -4.24082 63.3627 # Removing break before 64 # Removing break before 32 # generation 63: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3345 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 4 ## CrossOver 56 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 567 ## OptSubtree 621 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 60 (59) jump= 0.576994 0.325056 0.279749 0.695095 -96.9812 37.4428 33.3117 # jumping subtree containing T0136:R 33 (32) jump= 0.563317 -0.373787 0.126123 -0.725982 15.944 -79.2908 -15.4758 # jumping subtree containing T0136:R 33 (32) jump= -0.945855 -0.240933 -0.200664 -0.0839239 -17.7193 -11.7686 -13.7593 # jumping subtree containing T0136:R 33 (32) jump= -0.870499 0.332665 0.227014 -0.282897 -43.2307 3.99818 -20.209 # jumping subtree containing T0136:V 79 (78) jump= 0.696082 -0.522253 0.22764 -0.436922 -7.24218 -69.5395 -22.1489 # jumping subtree containing T0136:R 33 (32) jump= -0.155846 -0.327198 -0.878552 -0.311126 -3.56098 -20.3054 15.7625 # generation 64: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3345 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 4 ## CrossOver 56 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 571 ## OptSubtree 641 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.309079 -0.721364 0.154273 0.600253 -23.3334 -95.5797 -6.91976 # Removing break before 20 # jumping subtree containing T0136:E 21 (20) jump= -0.707553 0.574058 -0.138504 -0.388127 -33.0768 -47.0378 -15.2418 # jumping subtree containing T0136:A 1 (0) jump= 0.75953 0.0238617 -0.407345 0.506571 -54.9273 15.9197 31.6283 # jumping subtree containing T0136:V 79 (78) jump= 0.11083 0.742802 -0.317348 -0.579009 -37.3407 -107.919 -25.163 # generation 65: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3345 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 4 ## CrossOver 58 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 573 ## OptSubtree 661 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.0167048 0.467417 -0.208139 0.859023 -79.7448 -93.576 26.0312 # jumping subtree containing T0136:R 33 (32) jump= 0.969801 -0.0980208 -0.0574942 0.215808 -36.2123 -0.0332842 11.9113 # jumping subtree containing T0136:A 1 (0) jump= -0.974237 0.213462 0.0618261 -0.0383799 2.16953 9.93925 13.436 # Removing break before 20 # jumping subtree containing T0136:L 50 (49) jump= 0.26092 -0.744104 0.469203 0.397592 -49.0229 -66.4862 -8.12132 # jumping subtree containing T0136:R 33 (32) jump= 0.250782 0.542993 -0.629891 -0.495484 -22.1657 -48.8191 28.5481 # jumping subtree containing T0136:R 33 (32) jump= 0.589004 -0.737741 -0.138811 0.299238 5.57641 -34.3661 -49.5979 # generation 66: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3345 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 331 ## TwoFragment 4 ## CrossOver 59 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 576 ## OptSubtree 681 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.922315 0.251866 -0.282583 -0.0777489 -0.466352 -2.57651 17.5866 # Removing break before 32 # Removing break before 20 # generation 67: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3342 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 63 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 577 ## OptSubtree 699 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:A 1 (0) jump= 0.749547 0.153695 0.361782 0.532608 -58.1131 -13.3294 18.5843 # jumping subtree containing T0136:V 79 (78) jump= 0.130615 -0.214746 -0.368889 -0.894843 -62.0811 -96.4264 54.1161 # jumping subtree containing T0136:H 57 (56) jump= 0.959671 0.175491 0.157864 -0.152685 -13.8159 5.35527 -11.2064 # Removing break before 20 # jumping subtree containing T0136:R 33 (32) jump= 0.926507 0.0198694 0.13342 0.351267 -23.838 -0.2584 20.0852 # jumping subtree containing T0136:R 33 (32) jump= -0.236874 -0.576033 -0.43172 0.652453 -21.8029 -59.6605 -31.7544 # Removing break before 32 # jumping subtree containing T0136:V 79 (78) jump= 0.809369 -0.0450505 0.515167 0.27838 -62.1986 -10.3266 -33.0263 # generation 68: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3342 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 65 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 582 ## OptSubtree 716 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.551033 -0.498009 0.612443 -0.270674 -66.2601 -50.4565 -57.1226 # jumping subtree containing T0136:D 76 (75) jump= 0.157533 0.824313 -0.0595608 -0.540503 -22.6574 -94.7698 -6.92094 # jumping subtree containing T0136:H 57 (56) jump= 0.509535 -0.0259137 0.558192 0.654312 -95.8111 -10.5016 15.9986 # generation 69: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3342 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 65 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 596 ## OptSubtree 734 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= 0.445439 0.274696 0.823329 -0.219672 -9.70225 -27.7693 -32.5738 # Removing break before 32 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= 0.192638 0.344979 0.873689 -0.28381 -18.0575 7.23515 -34.2776 # Removing break before 20 # generation 70: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3342 cost/residue, 152 clashes 0.0312612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 65 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 599 ## OptSubtree 757 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:V 16 (15) jump= 0.990357 -0.0782169 0.0354553 0.108711 -8.23204 -1.8427 -17.1717 # jumping subtree containing T0136:E 21 (20) jump= 0.99794 0.0280205 -0.0471278 0.0333253 -13.0149 16.0979 8.70688 # jumping subtree containing T0136:A 78 (77) jump= -0.728482 -0.180614 0.646809 -0.135391 -57.4954 -8.36639 28.6967 # jumping subtree containing T0136:V 79 (78) jump= 0.750551 0.359122 -0.524126 0.181651 -49.2978 -11.807 37.7558 # jumping subtree containing T0136:R 33 (32) jump= -0.80155 0.451169 0.139526 -0.366738 -51.0965 15.9497 -24.8556 # jumping subtree containing T0136:R 33 (32) jump= 0.996877 -0.0714833 0.0335272 -0.00124519 16.3748 18.8141 -5.85812 # jumping subtree containing T0136:G 74 (73) jump= 0.908193 0.406263 0.028988 0.0964153 -4.72804 9.70035 1.13418 # generation 71: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3342 cost/residue, 152 clashes 0.0312612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 332 ## TwoFragment 4 ## CrossOver 67 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 602 ## OptSubtree 776 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.955161 -0.174735 0.192219 -0.142082 -34.3632 0.00251567 10.5651 # jumping subtree containing T0136:P 56 (55) jump= 0.787613 0.0121822 -0.616001 0.007801 -10.0751 -7.96989 13.5023 # jumping subtree containing T0136:A 1 (0) jump= 0.393227 0.380465 0.795753 0.259609 -35.1485 19.0765 23.8763 # jumping subtree containing T0136:R 33 (32) jump= -0.964306 0.0160935 -0.254017 0.0730088 -10.0306 6.63402 -12.9601 # jumping subtree containing T0136:R 33 (32) jump= 0.560703 0.265452 -0.493753 -0.609389 -15.8592 -69.3274 16.1255 # Removing break before 32 # jumping subtree containing T0136:R 49 (48) jump= 0.999936 0.00921886 0.00484493 -0.0043974 -24.6069 -7.92143 -3.55155 # generation 72: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3339 cost/residue, 152 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 333 ## TwoFragment 4 ## CrossOver 68 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 605 ## OptSubtree 795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.971692 -0.193282 0.11091 0.0784601 -14.1004 -11.1712 21.3568 # jumping subtree containing T0136:A 1 (0) jump= 0.776487 0.125354 0.492576 -0.372455 27.3204 -47.7498 -60.2412 # jumping subtree containing T0136:V 79 (78) jump= 0.699769 0.237817 0.236688 -0.630671 -22.5021 -102.276 -33.3997 # jumping subtree containing T0136:R 47 (46) jump= 0.996577 0.0665453 0.00534008 -0.0487544 29.1547 -3.12102 -5.76936 # jumping subtree containing T0136:R 47 (46) jump= -0.98413 -0.0786096 -0.133499 -0.0865302 -16.4747 -1.28951 -27.3251 # jumping subtree containing T0136:R 33 (32) jump= -0.982283 0.0794342 -0.145025 -0.0881968 -11.6309 -20.8629 -5.46062 # jumping subtree containing T0136:V 80 (79) jump= -0.4513 0.375023 -0.293257 0.754776 -51.2087 -84.9307 -5.35173 # jumping subtree containing T0136:A 1 (0) jump= -0.0433518 -0.189621 0.123092 0.973146 -117.996 -71.7245 -12.7868 # jumping subtree containing T0136:E 21 (20) jump= -0.282301 0.0243438 -0.930441 -0.232365 -98.3955 -11.0214 -19.7714 # jumping subtree containing T0136:R 33 (32) jump= -0.268367 0.0512694 0.271003 -0.922989 -146.589 -12.6285 9.14262 # jumping subtree containing T0136:R 33 (32) jump= 0.827427 0.203477 0.119354 -0.509624 -20.5715 -40.3261 -29.2548 # generation 73: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.1387 cost/residue, 155 clashes 0.0312612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 334 ## TwoFragment 4 ## CrossOver 70 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 614 ## OptSubtree 810 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 33 (32) jump= -0.367847 0.0378178 0.926465 0.0701562 -82.8959 -14.2406 -3.95607 # jumping subtree containing T0136:R 33 (32) jump= 0.562736 0.466971 -0.678031 0.0744312 -45.629 -27.953 15.224 # jumping subtree containing T0136:R 33 (32) jump= 0.746292 0.0956427 -0.15403 -0.640449 21.8542 -48.3048 29.6522 # jumping subtree containing T0136:P 56 (55) jump= -0.635321 -0.270076 -0.608894 -0.390735 -49.7735 17.7592 -21.5468 # jumping subtree containing T0136:R 33 (32) jump= -0.504259 -0.849181 -0.0864504 -0.130923 20.5096 -45.8497 28.0625 # jumping subtree containing T0136:R 33 (32) jump= 0.289228 0.0132826 0.442026 0.84899 -150.399 -38.8805 -8.88442 # jumping subtree containing T0136:R 33 (32) jump= -0.0548319 0.868539 0.463358 0.16713 15.8012 -64.66 16.4164 # jumping subtree containing T0136:N 5 (4) jump= -0.549443 0.410746 0.587702 0.42896 -30.3095 -24.6163 80.5122 # jumping subtree containing T0136:R 33 (32) jump= -0.819936 -0.345606 -0.44312 -0.109117 -25.8513 -5.64298 12.2844 # generation 74: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.1387 cost/residue, 155 clashes 0.0312612 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 334 ## TwoFragment 4 ## CrossOver 70 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 628 ## OptSubtree 828 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 21 (20) jump= 0.879393 0.302158 0.313646 -0.192339 -2.80744 -28.9169 -19.4468 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= -0.786224 -0.558292 0.256018 0.0679435 -32.9085 -36.3725 31.9683 # jumping subtree containing T0136:Q 38 (37) jump= 0.712416 0.687263 -0.0973657 0.10321 -33.9252 -27.2871 41.5669 # jumping subtree containing T0136:H 57 (56) jump= -0.518584 -0.0277009 -0.807977 -0.278348 -70.6642 16.5067 -12.36 # generation 75: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.1383 cost/residue, 155 clashes 0.031261 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 334 ## TwoFragment 4 ## CrossOver 71 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 642 ## OptSubtree 845 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.895399 -0.259078 0.158113 -0.32579 18.4752 -53.8943 -51.2477 # jumping subtree containing T0136:R 33 (32) jump= 0.837123 0.316224 0.224358 0.385864 -19.369 9.26465 35.0302 # jumping subtree containing T0136:V 79 (78) jump= 0.0587931 -0.103122 0.918708 0.376676 -69.5956 -24.8364 10.7454 # jumping subtree containing T0136:H 57 (56) jump= -0.896708 -0.219523 -0.00696631 -0.384287 -42.7081 21.6502 28.9923 # jumping subtree containing T0136:R 33 (32) jump= -0.265496 -0.812583 -0.496897 0.149379 -10.3738 -4.69701 -28.2563 # jumping subtree containing T0136:H 57 (56) jump= 0.959421 -0.245864 -0.0431694 0.131142 -8.16845 24.1791 -17.1183 # jumping subtree containing T0136:V 79 (78) jump= -0.0835411 -0.488955 -0.519218 -0.695957 5.91238 -6.46532 6.77523 # jumping subtree containing T0136:G 63 (62) jump= 0.736844 0.647807 0.174192 0.0840441 14.545 -3.56012 6.58756 # jumping subtree containing T0136:V 79 (78) jump= 0.825956 0.219328 0.0731324 -0.514143 -0.594172 -40.7374 -15.2328 # jumping subtree containing T0136:V 79 (78) jump= -0.765773 0.592653 -0.104676 -0.226712 -11.9061 22.1732 -38.2564 # jumping subtree containing T0136:H 57 (56) jump= 0.840213 -0.0473502 -0.152338 0.51826 -56.7154 90.1812 9.07162 # generation 76: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.078 cost/residue, 153 clashes 0.0463174 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 72 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 650 ## OptSubtree 866 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 32 # jumping subtree containing T0136:R 33 (32) jump= -0.490987 -0.524833 -0.463028 0.518736 -29.3369 -24.9127 -43.9542 # jumping subtree containing T0136:H 57 (56) jump= 0.151126 0.62705 -0.698562 0.309806 -77.5697 -73.4915 27.6797 # jumping subtree containing T0136:V 79 (78) jump= -0.690831 0.149616 -0.620176 0.340218 -35.7311 -36.236 -49.6364 # jumping subtree containing T0136:H 57 (56) jump= -0.958203 -0.0561695 0.0269458 0.279225 24.6106 -21.4932 -1.88171 # Removing break before 20 # Removing break before 20 # generation 77: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.078 cost/residue, 153 clashes 0.0463173 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 665 ## OptSubtree 883 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.995631 0.0159414 -0.0872885 -0.0290861 19.6924 -2.83834 1.2627 # jumping subtree containing T0136:V 79 (78) jump= -0.700918 0.0837334 0.508741 0.492833 4.42614 -34.4018 41.9376 # Removing break before 32 # jumping subtree containing T0136:E 21 (20) jump= 0.131703 0.771945 -0.582065 0.218988 -69.9539 -73.5322 37.9881 # Removing break before 32 # jumping subtree containing T0136:H 57 (56) jump= -0.535209 0.641941 0.295067 -0.463032 -51.2798 86.8678 -10.3465 # jumping subtree containing T0136:A 20 (19) jump= 0.92605 -0.0222602 -0.227185 0.300537 -16.5725 8.28703 22.5995 # generation 78: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.078 cost/residue, 153 clashes 0.0463173 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 679 ## OptSubtree 902 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.999999 -0.000171416 0.00113236 0.000399291 -1.69879 13.141 -13.7544 # jumping subtree containing T0136:E 21 (20) jump= 0.580621 0.289813 -0.127355 0.750112 -79.6165 48.9469 53.493 # jumping subtree containing T0136:H 57 (56) jump= 0.532811 -0.811233 -0.00877904 -0.240699 -16.344 18.3739 17.1142 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= 0.731279 0.385341 -0.169945 0.536527 -57.3789 40.0525 72.1894 # jumping subtree containing T0136:H 57 (56) jump= 0.894632 -0.264551 -0.0823811 0.350515 -24.1934 43.0365 6.97966 # generation 79: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.078 cost/residue, 153 clashes 0.0463178 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 335 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 689 ## OptSubtree 916 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.0930559 0.132345 0.495959 -0.853141 -157.177 2.27167 -12.8316 # jumping subtree containing T0136:V 79 (78) jump= 0.53498 0.561002 0.454622 -0.438626 -28.5711 -30.0231 -81.1909 # jumping subtree containing T0136:R 33 (32) jump= -0.545339 0.7891 -0.225568 -0.170426 -14.7019 -23.8184 -43.3331 # jumping subtree containing T0136:R 33 (32) jump= -0.919734 -0.38019 -0.0822023 0.0528038 -2.60157 -14.1837 -9.75099 # jumping subtree containing T0136:V 79 (78) jump= -0.977896 -0.00521984 0.106532 0.179844 7.50759 -19.4743 2.55485 # jumping subtree containing T0136:N 51 (50) jump= -0.20655 0.28977 0.61437 0.704216 -131.524 -6.65359 73.8117 # Removing break before 32 # jumping subtree containing T0136:P 56 (55) jump= -0.946982 0.242518 0.199079 0.0691234 -20.324 -12.8766 17.7786 # jumping subtree containing T0136:H 57 (56) jump= 0.398418 0.303082 0.865384 -0.0226817 -104.23 29.929 -83.2347 # jumping subtree containing T0136:R 66 (65) jump= 0.606109 0.583636 -0.448786 0.300985 -58.8362 -46.3319 23.5698 # jumping subtree containing T0136:H 57 (56) jump= 0.373065 -0.074401 0.311541 0.870764 -131.668 49.3005 -6.91928 # jumping subtree containing T0136:H 57 (56) jump= -0.405318 -0.697659 -0.288853 -0.515319 -71.626 60.0185 38.2721 # generation 80: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.0777 cost/residue, 153 clashes 0.0463178 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 336 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 695 ## OptSubtree 933 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.266292 0.62172 0.709517 -0.197833 -91.2179 32.3291 -87.5662 # jumping subtree containing T0136:V 79 (78) jump= -0.741844 -0.521639 0.349542 -0.235332 -37.7107 -30.9468 44.872 # jumping subtree containing T0136:R 47 (46) jump= 0.95701 0.276127 -0.0769467 -0.0443319 1.46142 -31.5923 44.6014 # jumping subtree containing T0136:H 57 (56) jump= 0.858593 0.47711 0.0274148 0.185562 -14.8949 4.2618 4.59069 # jumping subtree containing T0136:A 1 (0) jump= -0.892412 -0.0576693 -0.29481 0.336694 -37.7105 -18.773 -37.1894 # generation 81: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.0777 cost/residue, 153 clashes 0.0463178 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 336 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 701 ## OptSubtree 951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.00270015 -0.917042 -0.291023 0.27264 -31.8653 36.0893 -60.5173 # jumping subtree containing T0136:E 61 (60) jump= -0.419775 -0.24737 -0.592818 0.64122 -93.3689 -50.2798 -84.853 # jumping subtree containing T0136:R 33 (32) jump= 0.997722 0.024535 -0.0295936 0.0554357 -21.9954 18.1397 -2.63404 # jumping subtree containing T0136:E 61 (60) jump= 0.628059 -0.366914 0.406549 -0.552841 -62.1593 -59.042 -33.9852 # jumping subtree containing T0136:V 79 (78) jump= -0.82638 0.104635 0.0651498 -0.549456 -51.7893 46.9151 22.4899 # jumping subtree containing T0136:E 61 (60) jump= -0.959892 -0.221814 0.116484 -0.125849 -23.4582 -2.14118 20.6974 # generation 82: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.0777 cost/residue, 153 clashes 0.0463178 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 336 ## TwoFragment 4 ## CrossOver 73 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 713 ## OptSubtree 968 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.996919 0.0517188 0.0041586 0.0588292 13.8541 -1.45823 -8.30314 # Removing break before 32 # jumping subtree containing T0136:R 66 (65) jump= -0.666818 -0.176461 -0.442723 -0.572898 -49.1243 62.4459 -33.3662 # jumping subtree containing T0136:V 79 (78) jump= -0.42897 0.621554 0.0110433 0.655388 -36.0794 -43.6885 60.7146 # jumping subtree containing T0136:E 61 (60) jump= -0.996901 0.000701373 0.0581096 -0.0530114 1.10498 21.7337 14.6254 # generation 83: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.0774 cost/residue, 153 clashes 0.0463181 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 336 ## TwoFragment 4 ## CrossOver 78 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 719 ## OptSubtree 985 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.995915 0.0248878 -0.0841207 0.0213944 -8.17822 13.8245 -23.5076 # jumping subtree containing T0136:E 61 (60) jump= -0.99997 -0.00695559 -0.000204375 0.00337172 8.40078 18.0841 0.559723 # jumping subtree containing T0136:E 61 (60) jump= 0.666928 0.400392 -0.0612125 0.625418 -32.5475 55.4378 45.0561 # jumping subtree containing T0136:K 77 (76) jump= 0.662288 -0.0669593 0.2977 0.684299 -68.8622 61.343 -12.7098 # Removing break before 20 # jumping subtree containing T0136:E 21 (20) jump= 0.777045 0.290885 -0.107513 0.547749 -55.8526 48.0058 70.2959 # jumping subtree containing T0136:A 1 (0) jump= 0.172161 -0.0459772 0.373024 -0.910549 -204.996 -101.672 -40.6584 # jumping subtree containing T0136:E 61 (60) jump= -0.76007 -0.516914 0.110425 -0.378021 -16.1004 12.6005 28.0625 # jumping subtree containing T0136:A 1 (0) jump= 0.0509448 -0.424902 -0.678971 0.596541 -178.167 17.1564 -64.6558 # jumping subtree containing T0136:V 79 (78) jump= -0.469415 0.37484 -0.634671 -0.486144 -115.331 11.3212 -78.9533 # generation 84: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.0774 cost/residue, 153 clashes 0.046318 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 336 ## TwoFragment 4 ## CrossOver 78 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 722 ## OptSubtree 1006 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.0791615 0.785637 0.479166 -0.383286 -58.6649 -9.43441 -90.8815 # jumping subtree containing T0136:V 79 (78) jump= -0.64141 0.148709 0.487534 -0.573402 -132.769 62.8753 10.8661 # jumping subtree containing T0136:E 61 (60) jump= -0.0427563 -0.736132 -0.24268 0.630387 -132.089 54.9479 -116.553 # jumping subtree containing T0136:R 66 (65) jump= -0.315479 0.48908 0.769361 0.263358 -93.9507 32.7115 71.6097 # jumping subtree containing T0136:E 61 (60) jump= 0.434777 -0.509871 0.12327 0.731987 -97.0937 78.7623 -77.4876 # Removing break before 20 # jumping subtree containing T0136:R 66 (65) jump= -0.847708 0.428834 -0.143678 -0.277216 -9.46584 28.625 -47.4756 # jumping subtree containing T0136:R 33 (32) jump= -0.603812 0.320077 0.151813 -0.714083 -113.403 66.9218 -63.3927 # jumping subtree containing T0136:H 57 (56) jump= -0.980764 0.0593866 -0.0514212 0.178691 10.2283 -22.5438 -1.86149 # jumping subtree containing T0136:R 66 (65) jump= 0.961535 -0.236081 -0.0636415 0.125161 -1.62201 45.8019 -10.0232 # generation 85: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9638 cost/residue, 156 clashes 0.0399301 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 80 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 730 ## OptSubtree 1030 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= 0.609127 0.032099 0.772261 0.177613 -102.211 22.6194 -98.9362 # Removing break before 20 # jumping subtree containing T0136:R 33 (32) jump= -0.636933 -0.651893 0.411304 -0.0134875 -49.92 -80.6792 54.4864 # jumping subtree containing T0136:A 1 (0) jump= -0.116698 -0.556074 0.0853904 -0.818457 -165.749 -25.506 78.0485 # jumping subtree containing T0136:R 33 (32) jump= -0.741058 -0.136427 -0.570919 -0.325994 -93.7912 48.0773 -83.323 # jumping subtree containing T0136:H 57 (56) jump= -0.103864 -0.808177 0.50202 -0.289893 -69.7831 -134.237 40.6966 # jumping subtree containing T0136:H 57 (56) jump= -0.0380966 0.14204 0.0725339 -0.986464 -201.194 -47.9874 -52.9342 # jumping subtree containing T0136:V 79 (78) jump= -0.801717 0.330012 -0.4956 -0.0521886 -68.7487 -33.6927 -124.498 # jumping subtree containing T0136:H 57 (56) jump= -0.801214 -0.276671 0.0174817 0.530286 -38.2573 -120.27 -41.7368 # generation 86: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9638 cost/residue, 156 clashes 0.0399301 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 81 ## CrossAndInsert 22 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 738 ## OptSubtree 1056 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.213794 -0.130175 0.212143 0.944639 -197.944 -20.0466 -28.6161 # jumping subtree containing T0136:V 79 (78) jump= -0.161246 -0.740146 -0.589492 0.280505 -67.7776 60.412 -117.234 # jumping subtree containing T0136:E 61 (60) jump= -0.964892 0.100185 -0.237269 0.0514792 6.1424 -2.98881 -32.3676 # jumping subtree containing T0136:V 79 (78) jump= -0.823715 0.192997 -0.395866 0.357121 2.81408 -42.4904 -41.8723 # jumping subtree containing T0136:V 79 (78) jump= 0.020549 0.183597 -0.190069 0.964232 -188.863 -59.6827 7.46945 # jumping subtree containing T0136:R 33 (32) jump= -0.998428 -0.0312254 0.0457572 -0.00855017 17.6758 -3.77292 21.7992 # jumping subtree containing T0136:A 1 (0) jump= 0.493135 -0.809886 0.247983 0.198511 -29.1793 -38.6553 -112.62 # jumping subtree containing T0136:E 61 (60) jump= -0.68007 -0.256927 -0.662501 -0.180517 -84.6489 42.6159 -67.8843 # jumping subtree containing T0136:R 33 (32) jump= -0.998722 -0.0379231 0.0053714 -0.032967 -8.311 9.91815 27.2172 # jumping subtree containing T0136:E 61 (60) jump= 0.56328 0.376511 0.612873 -0.406623 -74.9843 -36.6846 -102.466 # jumping subtree containing T0136:H 57 (56) jump= 0.457979 0.688406 0.554305 -0.0953821 -59.4277 28.4427 -61.1224 # jumping subtree containing T0136:E 61 (60) jump= -0.981058 -0.153222 -0.0549313 -0.105026 -30.3747 1.32846 11.0168 # generation 87: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9533 cost/residue, 158 clashes 0.0441767 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 82 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 747 ## OptSubtree 1076 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.47731 -0.0619971 0.53389 0.695193 -175.351 -101.048 38.4293 # jumping subtree containing T0136:E 61 (60) jump= -0.51263 0.424216 0.738614 0.108174 -91.0836 22.1226 58.6359 # jumping subtree containing T0136:H 57 (56) jump= -0.880011 0.260288 -0.104262 -0.383354 -47.4973 45.6346 -47.097 # jumping subtree containing T0136:A 1 (0) jump= -0.298678 -0.567033 0.598838 0.480268 -168.316 -139.686 -18.8603 # Removing break before 20 # jumping subtree containing T0136:H 57 (56) jump= -0.83478 -0.276175 0.152711 0.451164 -11.1996 -114.67 36.1526 # generation 88: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9532 cost/residue, 158 clashes 0.0441769 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 83 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 751 ## OptSubtree 1095 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # Removing break before 32 # jumping subtree containing T0136:A 1 (0) jump= -0.855353 0.475733 -0.18611 0.0860961 -10.5203 -48.1176 -41.0973 # jumping subtree containing T0136:H 57 (56) jump= -0.326118 -0.17775 -0.877607 0.30308 -159.921 -2.9839 -90.848 # jumping subtree containing T0136:A 1 (0) jump= 0.0982483 -0.291246 0.537631 0.78516 -160.315 -20.361 -53.8389 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= 0.957492 0.221389 -0.0811389 0.166171 -19.7191 45.0901 29.1886 # jumping subtree containing T0136:H 57 (56) jump= -0.999883 -0.012902 0.0036473 -0.00737989 5.0214 -19.5561 19.44 # jumping subtree containing T0136:E 61 (60) jump= 0.61665 -0.405199 0.326944 -0.590477 -63.1478 -147.251 -31.8626 # jumping subtree containing T0136:A 1 (0) jump= -0.208309 0.246297 -0.807731 -0.493474 -149.278 -27.8531 -34.5815 # jumping subtree containing T0136:V 79 (78) jump= 0.881921 0.284232 -0.0371835 -0.374225 2.16128 -45.3703 10.2105 # jumping subtree containing T0136:H 57 (56) jump= 0.735549 -0.601645 0.0541944 -0.306684 10.8733 -20.7934 11.2466 # jumping subtree containing T0136:H 57 (56) jump= -0.959667 -0.243441 -0.0456406 -0.133017 -11.8342 14.7229 29.3969 # generation 89: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9532 cost/residue, 158 clashes 0.0441769 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 83 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 771 ## OptSubtree 1108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 57 (56) jump= 0.0146077 -0.857027 0.0591252 0.51166 -40.3407 -34.3707 -106.84 # jumping subtree containing T0136:A 1 (0) jump= -0.799965 -0.577643 0.146642 -0.0698607 2.50752 -45.2033 25.6733 # jumping subtree containing T0136:D 60 (59) jump= -0.137894 0.271254 0.0558751 0.950939 -134.814 -39.9562 47.0469 # Removing break before 32 # jumping subtree containing T0136:D 60 (59) jump= 0.0729197 -0.529244 -0.830919 0.155424 -107.397 95.5011 -33.4968 # jumping subtree containing T0136:H 57 (56) jump= -0.438588 0.507392 -0.472463 0.571815 -87.7053 -94.6252 -6.66685 # jumping subtree containing T0136:R 33 (32) jump= -0.810982 0.259549 0.521313 0.0563503 -37.6371 9.57802 54.4348 # generation 90: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9532 cost/residue, 158 clashes 0.0441769 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 83 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 776 ## OptSubtree 1127 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 21 (20) jump= 0.403532 -0.327182 -0.000318083 -0.854467 -131 -87.1673 49.1614 # jumping subtree containing T0136:H 57 (56) jump= -0.955702 0.230732 0.151635 0.101996 -17.8713 -17.2223 6.04351 # jumping subtree containing T0136:H 57 (56) jump= 0.30791 -0.534463 0.768172 0.171617 -117.582 -37.382 -94.6272 # jumping subtree containing T0136:N 52 (51) jump= -0.996197 -0.0193092 -0.0848352 0.00455436 22.5057 16.2896 -19.5271 # jumping subtree containing T0136:V 79 (78) jump= -0.9118 0.370468 0.144934 0.101828 -2.5986 -8.30131 43.3889 # generation 91: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.9532 cost/residue, 158 clashes 0.0441767 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 338 ## TwoFragment 4 ## CrossOver 86 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 781 ## OptSubtree 1144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.267481 0.0738569 0.604735 0.746522 -117.637 40.0466 -25.5325 # jumping subtree containing T0136:H 57 (56) jump= 0.149199 0.411456 -0.448792 0.779121 -173.31 -106.243 14.5476 # jumping subtree containing T0136:H 57 (56) jump= -0.455435 -0.566258 0.391937 0.564195 -92.3382 -129.492 -33.8336 # jumping subtree containing T0136:H 57 (56) jump= 0.60784 -0.741039 -0.143057 0.246832 -10.8293 12.68 -85.4595 # jumping subtree containing T0136:E 61 (60) jump= 0.483927 0.328508 0.373306 0.720097 -126.079 -14.4408 43.7429 # jumping subtree containing T0136:V 79 (78) jump= -0.473171 0.717955 0.424501 0.283635 -45.5202 25.8568 58.6599 # jumping subtree containing T0136:Q 18 (17) jump= -0.165517 0.308249 -0.509023 0.786437 -169.404 -120.059 -16.9693 # jumping subtree containing T0136:H 57 (56) jump= 0.113619 -0.29159 -0.123898 0.941655 -169.106 -79.3366 -73.1185 # jumping subtree containing T0136:H 57 (56) jump= 0.886555 -0.190668 0.117704 -0.404737 -32.5768 -70.9215 -11.7452 # jumping subtree containing T0136:H 57 (56) jump= 0.701347 -0.671264 0.225802 0.0808128 -1.11082 -48.6558 -81.9702 # jumping subtree containing T0136:R 33 (32) jump= -0.996319 0.0843831 0.0126075 -0.00833398 -4.28686 -12.6377 -17.2947 # generation 92: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6585 cost/residue, 158 clashes 0.0358879 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 339 ## TwoFragment 4 ## CrossOver 87 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 781 ## OptSubtree 1166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 18 (17) jump= 0.893731 -0.321889 -0.163975 -0.265977 10.1988 -48.934 10.7809 # jumping subtree containing T0136:V 79 (78) jump= -0.971718 -0.0426044 -0.0254908 -0.230866 -11.9619 61.4689 -1.61251 # jumping subtree containing T0136:R 33 (32) jump= 0.0546018 0.522147 0.366074 0.768356 -128.591 58.1333 36.7747 # jumping subtree containing T0136:A 1 (0) jump= -0.118663 -0.280527 0.149131 -0.940736 -143.732 -82.4214 35.5338 # jumping subtree containing T0136:P 56 (55) jump= 0.557287 0.227008 -0.6467 -0.468698 -113.876 -80.8864 49.8188 # jumping subtree containing T0136:Q 18 (17) jump= 0.741321 -0.289595 0.347279 0.495959 -104.181 21.353 -78.3445 # jumping subtree containing T0136:R 66 (65) jump= 0.217404 0.301474 -0.847113 0.3798 -161.887 -75.4178 9.1288 # generation 93: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6585 cost/residue, 158 clashes 0.0358877 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 88 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 787 ## OptSubtree 1182 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 57 (56) jump= 0.963176 0.12184 -0.218113 -0.0993664 -30.3891 -49.0725 31.5521 # jumping subtree containing T0136:R 66 (65) jump= 0.725407 -0.255573 -0.1633 0.6179 -92.1064 57.0348 -19.7035 # jumping subtree containing T0136:H 57 (56) jump= 0.731547 -0.466183 -0.437344 0.237157 -58.2711 82.2017 -5.93973 # jumping subtree containing T0136:R 66 (65) jump= 0.940896 -0.228856 -0.227832 -0.102142 2.99259 -17.4302 33.2174 # jumping subtree containing T0136:R 66 (65) jump= -0.834781 0.416482 0.358518 -0.0338998 -6.85478 36.7897 35.5502 # jumping subtree containing T0136:R 66 (65) jump= -0.991101 0.0141617 0.0176925 -0.131166 -20.161 -0.683397 -13.8684 # jumping subtree containing T0136:H 57 (56) jump= 0.0253239 0.76286 0.567525 0.308738 -41.8127 55.4875 17.6305 # jumping subtree containing T0136:V 79 (78) jump= 0.881125 -0.458314 -0.107846 0.0440111 -13.554 -12.7703 -20.9526 # jumping subtree containing T0136:E 21 (20) jump= -0.223548 0.695755 -0.248051 -0.635942 -120.428 8.18513 -115.213 # generation 94: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6584 cost/residue, 158 clashes 0.0358878 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 88 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 797 ## OptSubtree 1202 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.966958 -0.0704417 0.108648 -0.219603 -4.22542 -32.1169 2.7867 # jumping subtree containing T0136:V 79 (78) jump= 0.342484 0.233508 -0.8801 0.231523 -153.358 -50.1699 53.2681 # jumping subtree containing T0136:E 61 (60) jump= 0.438946 0.777757 0.0913052 -0.440549 -24.7836 -58.4824 -75.0039 # jumping subtree containing T0136:A 1 (0) jump= -0.915064 0.0191278 -0.0359061 0.401251 -10.2091 -82.4758 -5.03854 # jumping subtree containing T0136:R 33 (32) jump= -0.946429 0.0362796 -0.0991023 0.30518 -15.9283 -65.8897 -25.3232 # jumping subtree containing T0136:A 1 (0) jump= -0.897765 0.233836 0.350801 -0.12758 -10.0911 24.532 21.6525 # jumping subtree containing T0136:R 33 (32) jump= 0.9629 -0.138064 0.107198 -0.205598 -30.1787 -69.8767 -14.8862 # generation 95: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6584 cost/residue, 158 clashes 0.0358878 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 89 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 801 ## OptSubtree 1221 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.909433 0.297209 0.107672 0.270196 -0.797946 -32.2193 -3.50743 # jumping subtree containing T0136:N 51 (50) jump= -0.783048 -0.550439 0.27949 0.0757589 -12.4136 -80.6348 36.5129 # jumping subtree containing T0136:R 66 (65) jump= 0.68652 -0.710677 0.132604 0.0777413 -11.9104 -25.2251 -77.7348 # jumping subtree containing T0136:V 62 (61) jump= 0.939801 -0.275514 0.102377 -0.174314 11.7019 -53.7389 -8.66962 # jumping subtree containing T0136:M 75 (74) jump= 0.979272 -0.0763106 0.0338403 0.184547 -20.265 47.3591 -3.31292 # jumping subtree containing T0136:E 61 (60) jump= -0.728673 -0.406064 -0.537383 -0.123966 -34.2657 29.6895 -78.8372 # jumping subtree containing T0136:V 79 (78) jump= 0.594996 -0.220796 0.151056 0.757899 -109.255 45.7207 -53.2782 # jumping subtree containing T0136:E 21 (20) jump= 0.954053 -0.196562 -0.203584 -0.0984912 -31.1482 -18.0699 34.687 # jumping subtree containing T0136:R 66 (65) jump= 0.83596 0.453609 -0.231638 -0.204338 -48.3912 -74.8401 22.8644 # jumping subtree containing T0136:P 56 (55) jump= -0.824613 0.0462227 -0.491213 -0.276742 -93.3872 49.7633 -75.0062 # jumping subtree containing T0136:V 79 (78) jump= 0.398859 -0.159465 0.893387 0.131691 -138.897 -3.01292 -79.2551 # generation 96: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.6584 cost/residue, 158 clashes 0.0358877 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 340 ## TwoFragment 4 ## CrossOver 91 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 807 ## OptSubtree 1237 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.000176947 0.216218 0.163136 -0.962619 -204.741 -65.5546 -49.8776 # jumping subtree containing T0136:H 57 (56) jump= -0.99998 -0.00192579 -0.00595124 0.000294473 -20.5668 -2.62561 -20.1492 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= -0.222374 0.708629 -0.61234 0.270987 -112.62 -135.421 -13.488 # jumping subtree containing T0136:R 66 (65) jump= 0.870818 0.341123 0.0695715 -0.347089 11.0034 -74.1664 -33.7661 # jumping subtree containing T0136:R 33 (32) jump= -0.998232 0.00937132 -0.00502467 -0.0584783 -5.15771 -4.27454 -10.8869 # jumping subtree containing T0136:R 66 (65) jump= -0.428781 -0.578878 -0.47514 -0.505262 -61.7811 56.4436 30.2612 # jumping subtree containing T0136:R 66 (65) jump= -0.917436 0.337646 0.204994 0.0477833 -2.61888 4.79865 21.9657 # jumping subtree containing T0136:R 66 (65) jump= -0.920386 -0.170163 0.0924575 0.339685 -29.1351 -73.2454 1.53384 # generation 97: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4208 cost/residue, 158 clashes 0.040118 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 342 ## TwoFragment 4 ## CrossOver 91 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 810 ## OptSubtree 1256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.816579 -0.411032 -0.120187 -0.387049 -46.9268 -55.4442 67.1727 # jumping subtree containing T0136:R 66 (65) jump= -0.239829 -0.00403389 0.829895 0.503726 -169.086 -16.0051 53.5137 # jumping subtree containing T0136:A 1 (0) jump= 0.488343 -0.730616 0.362029 -0.310896 -49.684 -117.443 -18.3178 # jumping subtree containing T0136:V 79 (78) jump= 0.713499 -0.693607 0.0970239 0.0203605 -16.8753 -22.3794 -76.6467 # jumping subtree containing T0136:H 57 (56) jump= -0.91782 -0.163227 0.271485 0.23929 -21.8088 -53.9778 57.9191 # jumping subtree containing T0136:R 33 (32) jump= 0.984331 0.136711 0.111195 -0.0061425 -6.90926 -8.16393 -4.20337 # Removing break before 32 # jumping subtree containing T0136:R 66 (65) jump= 0.695047 -0.322219 -0.50176 -0.401648 -39.3919 -55.3908 109.537 # jumping subtree containing T0136:R 66 (65) jump= -0.959625 0.251937 0.101548 -0.0730416 -1.83618 5.11535 24.2981 # jumping subtree containing T0136:R 66 (65) jump= 0.999083 -0.02065 -0.0341843 -0.0154354 -9.56991 -0.805697 -18.2796 # generation 98: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4208 cost/residue, 158 clashes 0.040118 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 342 ## TwoFragment 4 ## CrossOver 92 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 818 ## OptSubtree 1281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.998521 -0.0369447 -0.0261842 -0.0301018 8.26513 16.7955 17.539 # Removing break before 20 # jumping subtree containing T0136:V 79 (78) jump= -0.863819 -0.339638 -0.306217 0.211409 -6.26619 -21.1262 -58.8101 # jumping subtree containing T0136:R 66 (65) jump= -0.77044 -0.107111 -0.520795 -0.351741 -89.5504 65.1244 -53.4184 # jumping subtree containing T0136:A 1 (0) jump= -0.647976 0.267866 -0.485845 -0.521853 -117.14 18.2944 -100.433 # jumping subtree containing T0136:V 79 (78) jump= 0.341989 -0.102189 -0.607563 0.709555 -191.259 70.6761 22.5174 # jumping subtree containing T0136:V 79 (78) jump= 0.357846 -0.31345 -0.613435 0.63039 -160.637 64.2103 -0.958316 # jumping subtree containing T0136:E 21 (20) jump= 0.26135 0.501253 0.276321 0.777231 -109.954 31.3222 81.3019 # jumping subtree containing T0136:R 49 (48) jump= 0.614593 0.0966872 0.0666856 0.780052 -118.576 65.1629 18.1549 # generation 99: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4208 cost/residue, 158 clashes 0.0401184 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 342 ## TwoFragment 4 ## CrossOver 94 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 828 ## OptSubtree 1301 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.976415 0.069384 -0.00116615 0.204444 -15.1897 -37.4513 11.103 # jumping subtree containing T0136:A 1 (0) jump= -0.995775 -0.0498841 -0.0346945 -0.0688515 1.76869 6.73709 19.4194 # jumping subtree containing T0136:V 79 (78) jump= -0.96912 0.155272 -0.177452 0.0721638 -30.9341 -15.1916 -44.5387 # jumping subtree containing T0136:R 66 (65) jump= -0.987823 0.0202426 0.067221 -0.138844 -26.9966 4.7662 21.7353 # jumping subtree containing T0136:D 60 (59) jump= -0.0184373 0.183923 0.660873 -0.727378 -147.597 -25.3751 -64.0086 # jumping subtree containing T0136:R 66 (65) jump= -0.999825 0.0183795 0.000453012 0.00349836 13.2517 18.6227 1.55416 # generation 100: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 60.4208 cost/residue, 158 clashes 0.0401178 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 85 ## InsertFragment 342 ## TwoFragment 4 ## CrossOver 96 ## CrossAndInsert 22 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 829 ## OptSubtree 1322 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1684919874.pdb -s /projects/compbio/tmp/to_scwrl_1684919874.seq -o /projects/compbio/tmp/from_scwrl_1684919874.pdb -a /projects/compbio/tmp/from_scwrl_1684919874_a.pdb -b /projects/compbio/tmp/from_scwrl_1684919874_b.pdb > /projects/compbio/tmp/scwrl_1684919874.log # T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA-scwrl 61.723 cost/residue 158 clashes 0.0401178 breaks # iteration 13 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 70.9143 cost/residue, 111 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 17 ## TwoFragment 0 ## 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 69.6229 cost/residue, 107 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 37 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.1675 cost/residue, 105 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 29 ## InsertFragment 54 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.973584 0.067379 0.0911383 0.198213 -18.3596 -11.5747 19.1623 # generation 4: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 68.1675 cost/residue, 105 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 35 ## InsertFragment 67 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.9353 cost/residue, 127 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 81 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 4 ## 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-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.543 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 50 ## InsertFragment 97 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.543 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 110 ## TwoFragment 5 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.543 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 60 ## InsertFragment 127 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.543 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 64 ## InsertFragment 142 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 57 # generation 10: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 66.543 cost/residue, 112 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 68 ## InsertFragment 157 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 4 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.9859 cost/residue, 97 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 72 ## InsertFragment 172 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 6 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.7896 cost/residue, 105 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 77 ## InsertFragment 185 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 7 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 28 (27) jump= -0.54605 -0.651393 0.444615 -0.282549 -9.77143 10.0541 -24.6129 # generation 13: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.2855 cost/residue, 92 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 81 ## InsertFragment 198 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing T0136:N 51 (50) jump= -0.520859 0.582091 -0.398598 -0.480619 22.3433 0.627835 25.4636 # generation 14: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.2855 cost/residue, 92 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 86 ## InsertFragment 209 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 13 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 65.0433 cost/residue, 96 clashes 0.0188896 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 88 ## InsertFragment 220 ## TwoFragment 5 ## CrossOver 3 ## CrossAndInsert 11 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 17 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 16: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.5646 cost/residue, 102 clashes 0.0263045 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 91 ## InsertFragment 228 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 12 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 21 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 63 # Removing break moved up 3 to before 43 # Removing break before 33 # jumping subtree containing T0136:Q 41 (40) jump= -0.312298 -0.163976 0.510776 -0.784021 24.2453 -25.9302 10.4877 # generation 17: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.5646 cost/residue, 102 clashes 0.0263045 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 92 ## InsertFragment 240 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 12 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 25 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.92641 0.226017 -0.270428 0.132474 6.81114 18.991 16.1619 # generation 18: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.3887 cost/residue, 95 clashes 0.0263045 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 95 ## InsertFragment 252 ## TwoFragment 6 ## CrossOver 5 ## CrossAndInsert 13 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 28 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 19: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.2048 cost/residue, 86 clashes 0.0303338 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 97 ## InsertFragment 266 ## TwoFragment 6 ## CrossOver 6 ## CrossAndInsert 14 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 31 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 20: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.2048 cost/residue, 86 clashes 0.0303338 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 99 ## InsertFragment 274 ## TwoFragment 6 ## CrossOver 6 ## CrossAndInsert 15 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 35 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 32 (31) jump= -0.996352 0.0329283 -0.0615319 0.0491158 16.6003 25.6499 1.11491 # Removing break moved up 3 to before 43 # Removing break before 31 # jumping subtree containing T0136:L 72 (71) jump= 0.77329 0.224435 -0.0621408 0.589737 34.9522 19.9244 -26.3084 # jumping subtree containing T0136:A 1 (0) jump= -0.044563 -0.955138 -0.058547 0.286877 -0.390117 14.5357 48.2129 # generation 21: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 64.0255 cost/residue, 93 clashes 0.018864 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 101 ## InsertFragment 280 ## TwoFragment 6 ## CrossOver 6 ## CrossAndInsert 15 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 40 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 31 # jumping subtree containing T0136:T 11 (10) jump= 0.0309926 0.218834 -0.520486 -0.82477 12.3537 -0.686804 -16.0157 # generation 22: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.9966 cost/residue, 95 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 101 ## InsertFragment 286 ## TwoFragment 6 ## CrossOver 7 ## CrossAndInsert 15 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 48 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 23: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.9966 cost/residue, 95 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 294 ## TwoFragment 6 ## CrossOver 8 ## CrossAndInsert 15 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 53 ## OptSubtree 69 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 9 (8) jump= 0.867377 0.174916 -0.429339 -0.180912 -1.45766 25.0422 6.17587 # generation 24: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.8444 cost/residue, 94 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 295 ## TwoFragment 6 ## CrossOver 9 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 66 ## OptSubtree 77 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 54 (53) jump= 0.994319 -0.065786 0.0268792 -0.0792419 -3.68683 -25.3599 -6.60034 # jumping subtree containing T0136:A 1 (0) jump= 0.43129 -0.842763 0.132706 -0.293477 14.2188 19.3319 -44.5463 # generation 25: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.6608 cost/residue, 100 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 296 ## TwoFragment 6 ## CrossOver 12 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 76 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:F 73 (72) jump= 0.489968 -0.353838 -0.733424 0.311157 -13.2737 -36.4851 -118.609 # jumping subtree containing T0136:A 1 (0) jump= -0.290191 -0.323658 0.596574 0.674636 -5.16394 -1.36699 31.2117 # Removing break before 36 # generation 26: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.6608 cost/residue, 100 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 298 ## TwoFragment 6 ## CrossOver 13 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 87 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.532213 -0.530308 -0.238777 -0.61523 -45.7826 -6.49608 66.1378 # jumping subtree containing T0136:L 54 (53) jump= -0.827863 -0.518197 -0.0640732 0.204964 -7.05544 -16.2955 37.0534 # generation 27: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.6608 cost/residue, 100 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 299 ## TwoFragment 6 ## CrossOver 13 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 96 ## OptSubtree 111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.934233 -0.177487 0.023147 0.308499 14.5607 6.4493 12.1314 # jumping subtree containing T0136:F 59 (58) jump= -0.603941 -0.252 0.756142 0.00116223 -15.5528 2.53048 1.867 # jumping subtree containing T0136:K 37 (36) jump= 0.129581 0.652476 0.707403 0.238883 -41.8328 -4.99968 33.0559 # generation 28: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.6608 cost/residue, 100 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 300 ## TwoFragment 6 ## CrossOver 14 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 107 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 29: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.624 cost/residue, 101 clashes 0.0374979 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 301 ## TwoFragment 6 ## CrossOver 14 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 121 ## OptSubtree 131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= 0.085754 0.51857 0.497834 0.68985 -21.015 -16.3982 20.7877 # generation 30: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5655 cost/residue, 97 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 303 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 16 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 131 ## OptSubtree 141 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # Removing break before 36 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= -0.728051 0.490982 0.251874 -0.40674 12.7945 20.4345 15.7831 # generation 31: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5655 cost/residue, 97 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 304 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 142 ## OptSubtree 152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.9684 -0.181144 -0.110074 0.131425 18.4338 -13.3293 -16.3562 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.995555 0.0259477 -0.0902199 -0.00755847 12.988 -19.4987 -5.24721 # jumping subtree containing T0136:H 68 (67) jump= 0.287471 0.575203 0.456796 -0.614687 5.13768 -3.65721 -7.09288 # jumping subtree containing T0136:K 37 (36) jump= 0.946959 0.290049 -0.137286 0.017094 -14.8128 16.7527 -5.67851 # generation 32: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.5655 cost/residue, 97 clashes 0.0374978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 305 ## TwoFragment 6 ## CrossOver 16 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 155 ## OptSubtree 164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.342869 -0.442538 0.53267 0.634715 6.43148 -16.1447 23.0382 # jumping subtree containing T0136:Q 41 (40) jump= 0.462375 -0.409727 -0.416437 0.667018 -5.68879 -44.7548 -24.4091 # generation 33: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.342 cost/residue, 99 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 306 ## TwoFragment 6 ## CrossOver 17 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 165 ## OptSubtree 178 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.298927 0.649741 0.466775 0.520193 35.4314 -15.0758 -28.6683 # jumping subtree containing T0136:Q 41 (40) jump= 0.999478 0.019427 -0.0172901 -0.0191752 -5.93068 -6.1617 -12.4602 # jumping subtree containing T0136:Q 41 (40) jump= 0.375586 0.0640365 -0.19768 -0.903193 18.1406 0.957104 10.3232 # jumping subtree containing T0136:Q 41 (40) jump= 0.908678 0.342293 0.15069 -0.185559 18.0519 3.62002 -11.177 # jumping subtree containing T0136:Q 41 (40) jump= 0.967764 -0.170827 0.175894 -0.0575592 5.72871 -18.5211 -8.8247 # generation 34: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.3388 cost/residue, 100 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 308 ## TwoFragment 6 ## CrossOver 18 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 175 ## OptSubtree 189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.0814874 -0.100694 0.416393 -0.89991 3.61133 24.1361 -6.48062 # jumping subtree containing T0136:D 76 (75) jump= 0.676291 0.516644 0.506582 0.138149 1.1492 6.96351 -32.951 # jumping subtree containing T0136:Q 41 (40) jump= 0.280329 -0.472504 -0.368715 -0.749803 -14.65 -0.237574 0.106395 # jumping subtree containing T0136:Q 41 (40) jump= 0.0377915 0.738057 0.0750698 0.669484 39.77 -10.912 -13.3384 # jumping subtree containing T0136:A 1 (0) jump= -0.502723 0.456329 0.0911921 -0.728504 -17.6644 -22.132 4.82412 # generation 35: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.3387 cost/residue, 100 clashes 0.0264387 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 309 ## TwoFragment 6 ## CrossOver 18 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 185 ## OptSubtree 202 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.265183 -0.924677 -0.108987 0.250543 14.6705 -0.754826 6.90531 # jumping subtree containing T0136:Q 41 (40) jump= 0.983893 0.0988584 0.110437 -0.0999252 -1.67415 -20.5978 2.72941 # Removing break before 40 # jumping subtree containing T0136:V 16 (15) jump= 0.989921 0.0647914 -0.0641282 -0.108379 5.64949 -5.93516 -27.2294 # generation 36: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.3387 cost/residue, 100 clashes 0.0264387 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 309 ## TwoFragment 6 ## CrossOver 18 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 197 ## OptSubtree 214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.608643 -0.559225 0.287848 0.483699 -11.4254 -13.4416 24.7929 # jumping subtree containing T0136:Q 41 (40) jump= 0.945088 0.293317 -0.135775 -0.0483558 -20.3513 -14.9634 12.5872 # jumping subtree containing T0136:K 37 (36) jump= -0.719729 0.248248 -0.401268 -0.50926 15.8294 -11.1762 20.6424 # jumping subtree containing T0136:Q 41 (40) jump= -0.630011 0.16465 0.234109 -0.72192 11.6596 -0.253323 -18.185 # jumping subtree containing T0136:Q 41 (40) jump= -0.522323 -0.627125 -0.373374 -0.441005 11.3778 -36.0469 -3.35953 # jumping subtree containing T0136:F 65 (64) jump= 0.159878 0.42614 0.0894969 0.885908 -0.316645 -1.69298 17.7128 # jumping subtree containing T0136:V 62 (61) jump= -0.866537 -0.453627 0.185731 0.0940265 -2.60074 2.44276 5.11261 # generation 37: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1519 cost/residue, 99 clashes 0.0264387 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 311 ## TwoFragment 6 ## CrossOver 18 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 206 ## OptSubtree 228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.850491 0.0453321 0.514708 -0.0984183 26.4483 -3.53332 -37.3701 # generation 38: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1519 cost/residue, 99 clashes 0.0264387 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 311 ## TwoFragment 6 ## CrossOver 18 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 216 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.635147 0.0264991 -0.709873 0.303259 -5.19126 1.13478 32.9456 # jumping subtree containing T0136:A 1 (0) jump= -0.261929 -0.019878 -0.943466 0.202162 89.675 14.2568 -10.3425 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.245505 -0.713435 -0.64967 0.0930926 46.4563 -43.4498 -7.27908 # jumping subtree containing T0136:Q 41 (40) jump= -0.300815 0.579139 0.552103 -0.518933 50.4605 -61.6027 6.8678 # generation 39: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1518 cost/residue, 99 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 312 ## TwoFragment 6 ## CrossOver 19 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 232 ## OptSubtree 254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.771115 -0.429351 0.0667345 0.465388 27.0137 -24.0193 12.8153 # jumping subtree containing T0136:D 55 (54) jump= -0.993503 -0.0051436 -0.0946233 0.0630246 4.47028 -1.26856 -9.3572 # jumping subtree containing T0136:A 1 (0) jump= 0.973274 0.165616 0.0213682 0.157646 27.4756 -20.2447 -1.20883 # jumping subtree containing T0136:K 37 (36) jump= 0.729745 -0.0603237 -0.601568 0.319294 29.1882 -25.2977 -31.9051 # jumping subtree containing T0136:Q 41 (40) jump= -0.998116 -0.00341413 0.0542193 0.0285025 4.18804 24.0432 5.32515 # generation 40: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 63.1518 cost/residue, 99 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 312 ## TwoFragment 6 ## CrossOver 21 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 239 ## OptSubtree 269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 64 (63) jump= -0.742963 0.302547 0.483073 0.350872 16.3891 32.6182 -12.2683 # jumping subtree containing T0136:A 1 (0) jump= -0.982265 -0.0618368 0.166367 0.0604514 18.8886 18.6963 -13.6226 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= -0.974248 -0.106215 -0.0133268 0.198447 28.9792 6.08025 16.6588 # generation 41: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.5502 cost/residue, 118 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 313 ## TwoFragment 6 ## CrossOver 22 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 247 ## OptSubtree 283 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.939898 0.305838 0.0123635 -0.151331 -2.28867 -34.6957 -21.9663 # jumping subtree containing T0136:Q 41 (40) jump= 0.76932 -0.20095 -0.0545195 -0.603982 33.0104 17.1274 -16.7317 # generation 42: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.5502 cost/residue, 118 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 102 ## InsertFragment 314 ## TwoFragment 6 ## CrossOver 24 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 254 ## OptSubtree 297 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.71927 0.334782 0.114284 -0.597922 -7.05761 -51.8839 7.62422 # jumping subtree containing T0136:A 1 (0) jump= 0.889754 -0.2261 -0.390775 0.0671667 -17.2462 6.80155 -8.0086 # jumping subtree containing T0136:Q 41 (40) jump= 0.944862 0.131106 -0.243517 -0.175346 13.1394 12.5469 -5.07316 # generation 43: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.5502 cost/residue, 118 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 317 ## TwoFragment 6 ## CrossOver 24 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 265 ## OptSubtree 315 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.251213 -0.895534 0.275933 0.242428 -20.1038 -12.0847 -14.5887 # jumping subtree containing T0136:K 37 (36) jump= 0.932934 -0.105702 -0.325255 0.112568 -2.1065 -23.3675 -38.0702 # jumping subtree containing T0136:Q 41 (40) jump= -0.539232 -0.566505 0.287814 0.552688 27.1824 55.4385 31.7207 # jumping subtree containing T0136:A 1 (0) jump= 0.917289 0.364473 0.117434 0.109314 -21.3435 -20.0599 4.59244 # generation 44: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 322 ## TwoFragment 6 ## CrossOver 27 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 275 ## OptSubtree 324 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.657001 0.145566 0.486086 0.557568 37.0922 60.4094 -40.9009 # jumping subtree containing T0136:P 56 (55) jump= 0.781571 0.358684 -0.444569 -0.250702 20.3135 25.9389 6.35858 # jumping subtree containing T0136:T 70 (69) jump= -0.0244961 0.114094 0.966512 0.228555 46.3493 -0.20592 -43.9719 # jumping subtree containing T0136:A 1 (0) jump= 0.997647 0.0388966 -0.00843344 0.0558293 -7.92654 5.25759 -11.354 # jumping subtree containing T0136:T 70 (69) jump= 0.97687 -0.172292 0.112173 0.0588035 -2.96999 17.0491 28.8711 # generation 45: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 322 ## TwoFragment 6 ## CrossOver 27 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 288 ## OptSubtree 340 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.646029 -0.340667 -0.491112 -0.474765 58.5549 -54.6967 -10.579 # jumping subtree containing T0136:A 1 (0) jump= -0.992873 0.0809727 0.020035 -0.0851237 -22.6614 -2.90943 -22.9034 # jumping subtree containing T0136:P 56 (55) jump= 0.955846 -0.0460865 0.28432 -0.0582834 3.33914 -14.9984 -0.978475 # generation 46: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 28 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 299 ## OptSubtree 358 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.972529 -0.068097 0.0949656 0.201327 19.8912 26.1304 3.43361 # jumping subtree containing T0136:R 47 (46) jump= 0.00828068 -0.0969386 -0.693949 0.71342 70.1882 -18.532 -11.1509 # generation 47: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 29 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 309 ## OptSubtree 371 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.356267 -0.0531796 0.821181 0.442615 93.6003 23.7369 -31.9717 # jumping subtree containing T0136:P 56 (55) jump= -0.91819 -0.291053 -0.228295 0.141764 18.3863 11.8138 28.2675 # jumping subtree containing T0136:Q 41 (40) jump= -0.715423 -0.65364 0.230769 -0.0875805 -0.0561457 -12.8686 -3.62147 # jumping subtree containing T0136:A 1 (0) jump= 0.990754 -0.103301 -0.0779359 -0.0407719 18.2402 -17.0408 -7.09583 # jumping subtree containing T0136:Q 41 (40) jump= 0.140196 -0.0843412 0.843735 0.511217 79.4219 19.4786 36.1885 # generation 48: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 30 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 315 ## OptSubtree 388 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 23 (22) jump= 0.728108 -0.273181 -0.334874 -0.532062 54.1054 -10.4736 -40.6304 # Removing break before 36 # jumping subtree containing T0136:P 56 (55) jump= -0.67629 0.387026 -0.359597 -0.513355 35.4765 19.14 34.6457 # jumping subtree containing T0136:A 1 (0) jump= 0.946593 -0.177566 -0.24183 0.118111 -9.72294 -11.8555 -13.1814 # generation 49: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 31 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 320 ## OptSubtree 406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.994262 -0.0951389 0.0489043 -0.00033267 -6.19982 -6.08862 0.656982 # jumping subtree containing T0136:Q 41 (40) jump= -0.122509 -0.605015 -0.58068 -0.53081 70.4075 -52.6564 -31.273 # jumping subtree containing T0136:P 56 (55) jump= 0.991759 0.101342 0.0771094 -0.0140519 -6.03018 -4.50908 32.545 # jumping subtree containing T0136:A 1 (0) jump= 0.998326 0.0427985 0.0172574 0.0348739 -1.36419 -16.1541 22.6868 # generation 50: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 33 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 324 ## OptSubtree 424 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.44585 -0.479061 0.749213 -0.101972 31.1833 33.7952 7.81033 # jumping subtree containing T0136:P 56 (55) jump= -0.515054 -0.349205 0.668755 -0.406868 30.7779 -9.46814 -41.9828 # jumping subtree containing T0136:Q 41 (40) jump= -0.781639 -0.0557123 0.148324 0.603271 35.9507 -21.5378 28.1188 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= 0.926493 -0.164267 -0.30981 -0.136546 12.9192 4.92412 -45.1465 # jumping subtree containing T0136:Q 41 (40) jump= 0.648433 0.133723 0.684977 0.30407 46.745 -29.3371 39.04 # jumping subtree containing T0136:P 56 (55) jump= -0.133692 0.624753 -0.482826 0.598907 54.6817 30.0262 -22.4944 # jumping subtree containing T0136:Q 41 (40) jump= -0.897082 -0.179081 -0.193536 -0.354566 43.9976 -53.8243 -6.9033 # generation 51: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.4541 cost/residue, 124 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 35 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 331 ## OptSubtree 439 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.249446 0.159539 0.658185 0.692182 85.3399 13.1777 -45.1983 # jumping subtree containing T0136:K 37 (36) jump= 0.726568 -0.440755 0.271461 0.45182 62.521 -4.46353 75.895 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= 0.218819 -0.509863 -0.81933 0.144419 35.4715 -40.1552 -54.0667 # generation 52: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.454 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 36 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 341 ## OptSubtree 452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.46642 0.328465 0.813053 0.116222 83.2729 -3.35643 -56.8214 # jumping subtree containing T0136:V 79 (78) jump= -0.402226 0.475353 0.781857 0.030863 97.0606 -30.315 -64.9715 # Removing break before 40 # jumping subtree containing T0136:L 72 (71) jump= -0.372134 -0.130688 -0.913834 0.0966661 46.1424 8.44622 58.0886 # jumping subtree containing T0136:Q 41 (40) jump= 0.431479 0.276069 0.847342 -0.140081 121.836 -22.0694 25.804 # generation 53: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.454 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 37 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 345 ## OptSubtree 471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.092717 -0.21854 0.522468 0.818945 116.916 23.1277 25.1907 # jumping subtree containing T0136:Q 41 (40) jump= 0.590932 -0.114949 -0.798385 -0.0129227 94.8494 -26.2802 -64.9308 # jumping subtree containing T0136:A 1 (0) jump= 0.184201 -0.433561 0.796032 0.380036 77.1596 36.4134 46.2532 # jumping subtree containing T0136:V 79 (78) jump= -0.197585 -0.764265 0.415956 -0.451486 30.6858 53.4254 -20.4616 # Removing break before 40 # generation 54: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.454 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 38 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 351 ## OptSubtree 488 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.707317 0.624817 -0.208168 0.256849 33.9567 60.8885 22.9976 # jumping subtree containing T0136:N 52 (51) jump= -0.768457 -0.130044 -0.523455 -0.344322 65.2228 -50.0998 38.757 # Removing break before 40 # jumping subtree containing T0136:V 79 (78) jump= -0.963761 -0.204316 -0.0983617 0.140514 -17.6757 25.852 2.3117 # jumping subtree containing T0136:V 79 (78) jump= -0.890821 -0.1509 -0.046514 0.426033 -1.97078 66.8045 20.4375 # generation 55: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 62.1769 cost/residue, 135 clashes 0.0401736 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 38 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 353 ## OptSubtree 508 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 20 (19) jump= 0.912822 -0.0206241 0.396957 0.0935737 28.1681 -24.9291 64.8604 # Removing break before 40 # jumping subtree containing T0136:Q 44 (43) jump= 0.0719593 0.250298 -0.16924 0.950542 119.311 38.229 -33.6273 # jumping subtree containing T0136:V 79 (78) jump= -0.999068 0.0146749 0.0214318 0.0344803 -26.5158 19.4175 3.45498 # jumping subtree containing T0136:A 1 (0) jump= -0.981266 0.151608 0.103506 -0.058475 13.9402 -13.7018 -1.52934 # jumping subtree containing T0136:V 79 (78) jump= 0.991984 0.0226148 0.118861 0.0364374 3.94199 7.7656 5.72319 # generation 56: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9017 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 40 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 363 ## OptSubtree 520 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.735571 -0.609232 0.247982 -0.162102 35.1035 58.9232 15.8409 # jumping subtree containing T0136:V 79 (78) jump= -0.977417 0.0209685 0.000712392 -0.210276 8.53788 -21.0606 -16.5155 # jumping subtree containing T0136:G 14 (13) jump= -0.992895 -0.0796296 -0.0862916 -0.0192883 15.6206 -19.0436 24.3081 # jumping subtree containing T0136:R 23 (22) jump= 0.612337 0.214217 -0.156667 -0.744721 76.2945 72.7504 -9.20586 # jumping subtree containing T0136:K 37 (36) jump= 0.917781 -0.114974 -0.123261 0.359536 46.5402 -42.3361 5.08525 # jumping subtree containing T0136:A 1 (0) jump= -0.999032 -0.0228809 -0.0245015 -0.0284717 -12.1697 4.65444 -1.30649 # generation 57: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9017 cost/residue, 124 clashes 0.0264384 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 41 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 373 ## OptSubtree 536 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.552623 -0.276592 -0.720209 0.315282 114.797 -1.936 134.829 # jumping subtree containing T0136:Q 41 (40) jump= 0.837448 -0.433885 -0.182541 -0.277675 20.9997 -2.79062 -57.153 # jumping subtree containing T0136:Q 44 (43) jump= -0.342045 0.0151587 -0.282275 -0.896157 135.631 -10.7721 -10.3056 # generation 58: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9016 cost/residue, 124 clashes 0.0264384 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 43 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 384 ## OptSubtree 556 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.622794 -0.249106 0.727281 0.145384 81.4411 31.0586 -41.7376 # jumping subtree containing T0136:Q 41 (40) jump= -0.642234 -0.0104939 0.41321 -0.64551 132.214 -46.8199 -56.5457 # jumping subtree containing T0136:R 33 (32) jump= 0.980186 -0.112151 0.0414257 0.157927 -1.43492 -18.1962 -7.34326 # jumping subtree containing T0136:Q 41 (40) jump= 0.276856 -0.71204 -0.516146 -0.387226 90.7204 -89.788 -28.1865 # jumping subtree containing T0136:D 55 (54) jump= 0.91173 0.267379 -0.276815 0.143632 43.4461 3.26869 -46.3126 # Removing break before 40 # generation 59: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9016 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 43 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 394 ## OptSubtree 579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= 0.422421 0.898411 -0.118225 -0.0210188 20.2665 32.7248 -5.64331 # jumping subtree containing T0136:Q 41 (40) jump= 0.908317 -0.0654717 -0.403367 0.0892691 80.1133 -27.4951 -91.0224 # jumping subtree containing T0136:A 1 (0) jump= -0.621852 -0.630081 0.422275 -0.19489 59.633 50.9113 -34.9202 # jumping subtree containing T0136:V 79 (78) jump= 0.305708 0.922595 0.119326 0.202787 0.112442 -33.2211 27.0304 # generation 60: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9016 cost/residue, 124 clashes 0.0264386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 43 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 400 ## OptSubtree 601 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.84046 0.278799 0.258651 -0.386002 59.3785 87.6793 80.6625 # jumping subtree containing T0136:A 1 (0) jump= -0.698682 0.554375 -0.341748 0.296176 1.61765 88.8703 49.9849 # jumping subtree containing T0136:D 55 (54) jump= 0.977847 0.0779082 0.124671 -0.149007 -0.900989 26.775 37.9096 # jumping subtree containing T0136:L 54 (53) jump= -0.99781 0.0466172 0.0465104 -0.00616714 -11.3484 -2.57628 -21.3864 # jumping subtree containing T0136:Q 41 (40) jump= 0.497308 -0.342652 0.557015 0.570095 137.984 -49.3611 145.126 # generation 61: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9016 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 46 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 403 ## OptSubtree 619 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.726817 0.282818 0.25076 0.573472 76.389 77.4678 -57.0888 # jumping subtree containing T0136:A 1 (0) jump= 0.975785 0.0560428 0.0754402 0.197513 -5.54475 -18.8619 20.3427 # jumping subtree containing T0136:K 37 (36) jump= 0.998527 0.0205453 -0.0475297 -0.0162049 11.6214 16.0565 8.04037 # jumping subtree containing T0136:V 79 (78) jump= 0.289534 0.136913 0.0191935 -0.947131 226.497 68.6998 15.5916 # generation 62: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.9016 cost/residue, 124 clashes 0.0264385 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 49 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 403 ## OptSubtree 640 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.129335 -0.27936 0.118559 0.94402 223.569 59.5167 71.7318 # jumping subtree containing T0136:Q 41 (40) jump= -0.122809 0.0571593 0.802098 0.581627 249.551 -41.4013 59.5425 # jumping subtree containing T0136:V 79 (78) jump= -0.82681 -0.348174 0.0953349 0.43136 62.0287 121.304 -1.59399 # jumping subtree containing T0136:V 79 (78) jump= 0.99973 -0.0216143 0.00451426 -0.00723519 -15.4197 -23.1363 8.99075 # jumping subtree containing T0136:A 1 (0) jump= 0.912871 -0.340497 -0.202378 -0.0988544 33.7571 -15.101 -8.76999 # jumping subtree containing T0136:V 79 (78) jump= -0.405829 0.354627 0.277791 -0.79522 195.641 -56.7248 58.5967 # jumping subtree containing T0136:K 37 (36) jump= -0.991673 0.0044785 0.120765 0.0444953 2.48239 17.588 -2.29021 # jumping subtree containing T0136:Q 41 (40) jump= 0.560748 -0.82744 -0.00205486 0.0299982 7.74922 -66.1153 22.0111 # jumping subtree containing T0136:G 14 (13) jump= 0.404261 -0.5233 0.316985 -0.67989 56.8218 76.7486 -41.104 # jumping subtree containing T0136:Q 18 (17) jump= 0.59378 -0.359636 0.714931 0.0834287 61.2132 32.6432 140.005 # jumping subtree containing T0136:Q 41 (40) jump= 0.959719 -0.0848584 0.264592 0.0415985 17.1813 -30.167 61.7303 # jumping subtree containing T0136:V 79 (78) jump= -0.783402 0.440299 -0.137654 0.416498 28.354 74.0364 22.3937 # generation 63: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8993 cost/residue, 124 clashes 0.0264384 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 54 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 404 ## OptSubtree 658 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:V 79 (78) jump= 0.197705 -0.499024 0.750688 0.385169 183.757 61.9924 112.326 # jumping subtree containing T0136:V 79 (78) jump= -0.695186 -0.345506 0.0160104 -0.630147 79.4013 -63.9289 -60.654 # jumping subtree containing T0136:V 79 (78) jump= 0.824866 -0.416421 0.382338 0.00293465 33.4985 6.14086 91.6877 # jumping subtree containing T0136:V 79 (78) jump= 0.984868 0.150971 0.00825399 -0.0847093 13.9278 39.3151 8.57384 # jumping subtree containing T0136:V 80 (79) jump= 0.568518 -0.0791083 0.528398 0.625559 142.923 -113.976 112.384 # jumping subtree containing T0136:A 1 (0) jump= -0.999237 -0.0193355 -0.0224578 -0.0254444 5.23454 -7.81117 9.88655 # jumping subtree containing T0136:Q 41 (40) jump= 0.0441885 -0.501373 0.428108 0.750597 210.652 10.9347 132.164 # generation 64: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8992 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 55 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 407 ## OptSubtree 678 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.631114 -0.301574 -0.637229 -0.323555 111.346 -113.574 112.728 # jumping subtree containing T0136:A 1 (0) jump= 0.989926 0.00690055 -0.0518547 -0.131566 21.5014 35.043 -8.82478 # jumping subtree containing T0136:F 59 (58) jump= -0.997864 -0.0473662 0.00538539 -0.0446566 15.8085 -5.67891 -15.0042 # jumping subtree containing T0136:D 55 (54) jump= -0.965519 0.0459929 0.255676 0.0169339 43.9006 15.372 -37.7526 # jumping subtree containing T0136:Q 41 (40) jump= -0.970529 -0.137782 -0.194546 -0.0352194 14.1368 -10.6645 36.829 # jumping subtree containing T0136:V 79 (78) jump= 0.721708 0.0544216 0.687297 -0.0616344 121.275 8.47216 126.082 # generation 65: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8992 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 57 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 425 ## OptSubtree 690 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.519049 -0.347259 -0.743933 -0.237829 167.319 -41.2832 -45.335 # jumping subtree containing T0136:V 79 (78) jump= 0.282847 0.663825 0.553472 -0.415937 116.904 1.29682 155.822 # jumping subtree containing T0136:V 79 (78) jump= -0.84913 0.455605 -0.209726 0.165583 -15.1958 40.2586 32.0627 # jumping subtree containing T0136:A 1 (0) jump= -0.761184 -0.0703417 -0.630688 -0.133732 49.7621 -52.1916 147.742 # jumping subtree containing T0136:A 1 (0) jump= -0.184451 0.457934 0.148126 -0.856932 236.478 -33.7913 91.2256 # jumping subtree containing T0136:A 1 (0) jump= 0.86923 0.310618 -0.195037 0.331537 35.3805 -47.2314 -68.9923 # generation 66: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8992 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 57 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 428 ## OptSubtree 711 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.0705857 -0.92195 0.350355 -0.149258 24.2653 78.9728 23.8197 # jumping subtree containing T0136:D 55 (54) jump= 0.883517 -0.0760633 0.0428083 0.460196 36.3336 -113.995 13.9438 # jumping subtree containing T0136:V 79 (78) jump= 0.688509 0.0913906 0.435083 -0.57298 108.843 104.407 83.1433 # jumping subtree containing T0136:A 1 (0) jump= 0.712039 -0.0668863 0.347783 0.606279 101.302 -86.6514 75.8543 # generation 67: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8992 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 59 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 430 ## OptSubtree 731 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.55537 -0.319091 -0.691384 0.334266 162.648 -97.2385 -6.80109 # jumping subtree containing T0136:A 1 (0) jump= 0.413304 0.717501 -0.365336 0.425324 81.2286 91.9458 -73.7379 # jumping subtree containing T0136:A 1 (0) jump= 0.286832 0.466997 0.802079 0.237297 119.489 -105.979 107.843 # jumping subtree containing T0136:Q 41 (40) jump= 0.194164 0.243447 -0.907191 -0.282911 265.628 61.4834 20.6862 # Removing break before 40 # jumping subtree containing T0136:V 79 (78) jump= -0.865608 0.373285 0.298979 0.1483 58.7862 -6.50808 -55.3301 # jumping subtree containing T0136:D 55 (54) jump= -0.412883 -0.748171 -0.335939 0.396123 95.7792 6.28617 133.524 # jumping subtree containing T0136:V 79 (78) jump= 0.0554839 -0.99807 0.00310254 0.0277237 -10.8164 -3.4346 64.3205 # jumping subtree containing T0136:V 79 (78) jump= -0.792403 0.0882719 -0.0723074 0.59923 77.6517 115.62 10.6831 # jumping subtree containing T0136:V 79 (78) jump= 0.36382 0.341314 -0.834351 -0.234517 196.882 95.5256 -16.9784 # generation 68: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8992 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 59 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 432 ## OptSubtree 753 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.837177 -0.187918 0.192787 0.476083 48.6248 -88.4329 71.9738 # jumping subtree containing T0136:V 79 (78) jump= 0.739269 -0.336787 0.520613 0.262713 34.5052 -42.4182 146.522 # jumping subtree containing T0136:A 1 (0) jump= -0.180963 0.932257 0.0347122 0.311359 -9.56233 18.0147 -12.8908 # jumping subtree containing T0136:V 79 (78) jump= 0.0219552 -0.573627 -0.599369 0.557877 156.225 -49.8035 127.755 # Removing break before 40 # jumping subtree containing T0136:Q 41 (40) jump= 0.948528 -0.03026 0.29109 -0.121017 15.9009 54.3009 88.518 # generation 69: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8992 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 62 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 432 ## OptSubtree 774 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.99602 -0.0693319 -0.0515661 0.0218559 -7.77963 1.10636 40.9654 # jumping subtree containing T0136:V 79 (78) jump= -0.7591 -0.492392 0.208399 0.371333 82.3657 96.2213 37.0056 # jumping subtree containing T0136:V 79 (78) jump= 0.607907 -0.691638 0.332339 0.204051 35.3118 1.22909 154.418 # jumping subtree containing T0136:V 79 (78) jump= -0.27908 -0.14139 -0.949285 -0.0313166 175.072 -32.2919 152.426 # jumping subtree containing T0136:D 55 (54) jump= 0.681801 0.446038 0.430013 0.388954 38.6009 -82.0205 68.4133 # generation 70: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.8992 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 63 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 432 ## OptSubtree 797 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.477996 0.0472099 -0.424106 -0.76774 186.73 -114.24 53.7741 # jumping subtree containing T0136:A 1 (0) jump= -0.156338 0.556828 -0.640212 -0.505598 189.481 33.1043 128.594 # jumping subtree containing T0136:V 79 (78) jump= 0.915713 -0.051913 0.302601 -0.259244 -3.12699 77.0683 59.9412 # jumping subtree containing T0136:V 62 (61) jump= -0.584868 -0.603306 -0.172145 0.514118 66.8308 56.8686 130.202 # jumping subtree containing T0136:V 79 (78) jump= 0.816331 -0.432006 -0.173782 -0.341723 35.7986 -1.25759 -33.4516 # jumping subtree containing T0136:V 79 (78) jump= 0.992102 -0.0221402 -0.0848574 -0.0896799 -3.89919 22.1589 -5.51703 # jumping subtree containing T0136:V 80 (79) jump= -0.719716 -0.00319005 -0.265364 0.641545 96.9872 98.9814 63.5203 # jumping subtree containing T0136:A 1 (0) jump= 0.662155 -0.607836 0.32692 -0.291909 27.2047 63.5994 58.8591 # jumping subtree containing T0136:D 55 (54) jump= -0.0743094 0.821236 0.352361 -0.442596 109.691 -62.0499 120.707 # generation 71: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7923 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 326 ## TwoFragment 6 ## CrossOver 66 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 432 ## OptSubtree 817 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -1 0.00010152 -0.000111372 0.000245135 15.4218 20.1634 9.70952 # jumping subtree containing T0136:V 79 (78) jump= -0.923382 -0.359131 0.0111209 0.135155 22.4965 50.1441 40.2512 # jumping subtree containing T0136:V 79 (78) jump= -0.995927 -0.0133479 0.0817572 -0.0355868 21.5215 9.77223 -28.5206 # jumping subtree containing T0136:S 10 (9) jump= 0.817559 -0.35686 -0.304278 0.334161 99.8884 -114.147 -6.29287 # jumping subtree containing T0136:A 1 (0) jump= 0.981892 -0.0933837 0.162486 0.0276597 -21.1616 2.46725 53.3209 # jumping subtree containing T0136:Q 41 (40) jump= 0.437858 -0.271634 -0.4735 0.714347 228.756 -116.321 -4.19595 # jumping subtree containing T0136:A 1 (0) jump= 0.40157 0.0588538 -0.783342 -0.4708 236.057 17.5299 -31.215 # jumping subtree containing T0136:A 1 (0) jump= -0.781506 0.208866 -0.345741 0.475486 53.3663 125.315 76.405 # Removing break before 40 # jumping subtree containing T0136:K 37 (36) jump= -0.966908 -0.17907 -0.181717 0.000914113 -23.9959 -10.9569 42.2922 # jumping subtree containing T0136:A 1 (0) jump= 0.124728 0.985985 -0.103079 -0.0406335 -0.801793 34.6419 84.4686 # jumping subtree containing T0136:A 1 (0) jump= -0.610542 -0.718041 -0.100991 0.318521 59.3616 81.8434 105.494 # generation 72: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7923 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 327 ## TwoFragment 6 ## CrossOver 69 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 433 ## OptSubtree 836 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 37 (36) jump= -0.028909 0.928784 0.0552652 0.365335 14.8809 -1.27879 -54.2302 # jumping subtree containing T0136:V 35 (34) jump= 0.750108 -0.606989 0.249894 -0.0803479 31.3965 30.4911 37.3748 # jumping subtree containing T0136:A 1 (0) jump= -0.960211 -0.105013 -0.214468 0.144816 9.34803 51.0762 42.9669 # jumping subtree containing T0136:D 55 (54) jump= -0.182983 -0.175889 0.256145 -0.932722 203.496 -20.2328 -64.2121 # jumping subtree containing T0136:A 1 (0) jump= 0.59274 -0.194071 -0.707043 -0.333295 206.134 -5.91949 -69.6497 # generation 73: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7923 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 327 ## TwoFragment 6 ## CrossOver 70 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 440 ## OptSubtree 862 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.126816 0.880632 0.147799 0.431927 54.7397 -49.8412 -48.9349 # jumping subtree containing T0136:Q 41 (40) jump= 0.587988 -0.231447 0.0493651 -0.773476 123.814 93.4367 -42.2527 # jumping subtree containing T0136:V 79 (78) jump= 0.948809 -0.103016 -0.204413 0.217634 25.0784 -78.1362 -36.7333 # jumping subtree containing T0136:A 1 (0) jump= 0.966167 -0.242806 -0.0383987 0.0780505 -7.45036 -49.5694 -16.9969 # jumping subtree containing T0136:L 50 (49) jump= -0.885862 -0.0163263 0.163574 0.43385 76.0587 116.359 -28.8637 # jumping subtree containing T0136:K 37 (36) jump= -0.192079 0.402425 -0.685807 -0.575178 196.02 10.5934 117.883 # jumping subtree containing T0136:V 79 (78) jump= -0.881083 0.428346 0.196348 -0.0407297 35.4759 -34.4714 -8.09435 # jumping subtree containing T0136:L 50 (49) jump= 0.99067 -0.0954159 0.092229 -0.0310136 -22.043 -14.0617 36.305 # jumping subtree containing T0136:A 1 (0) jump= 0.932074 -0.28056 0.211693 -0.0878047 -2.79379 6.39989 43.9068 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= -0.456353 -0.298913 0.0685456 0.835281 201.794 107.491 72.4013 # jumping subtree containing T0136:Q 41 (40) jump= 0.753605 0.60783 -0.178857 -0.175022 13.2702 76.5882 -3.95179 # generation 74: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7923 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 327 ## TwoFragment 6 ## CrossOver 72 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 448 ## OptSubtree 880 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.987078 0.116672 -0.103246 -0.0374845 -2.40329 -13.2631 29.1411 # jumping subtree containing T0136:D 55 (54) jump= -0.931883 -0.17499 0.107058 -0.299185 30.9615 -25.3484 -47.9373 # jumping subtree containing T0136:V 79 (78) jump= 0.578389 0.474386 -0.0137263 0.663502 92.1973 -84.1268 -71.5787 # jumping subtree containing T0136:V 79 (78) jump= 0.993836 0.011054 -0.0667163 -0.0878433 2.3516 42.3228 -8.20641 # jumping subtree containing T0136:Q 41 (40) jump= 0.860778 0.351016 -0.015756 0.36824 45.8964 -68.2162 -12.0497 # Removing break before 40 # generation 75: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7923 cost/residue, 124 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 327 ## TwoFragment 6 ## CrossOver 73 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 448 ## OptSubtree 903 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 73 (72) jump= -0.91875 0.35712 -0.162263 -0.0450965 -22.2157 -25.6208 47.9757 # jumping subtree containing T0136:V 79 (78) jump= -0.0518951 -0.687649 0.718241 0.0926015 114.533 127.13 66.7392 # jumping subtree containing T0136:K 37 (36) jump= 0.549916 0.684753 0.47514 -0.0543 63.3218 -39.019 108.629 # Removing break before 36 # jumping subtree containing T0136:Q 22 (21) jump= 0.395549 -0.749094 -0.52521 -0.0809535 71.5 -108.266 -34.6717 # jumping subtree containing T0136:L 50 (49) jump= 0.526798 0.693084 0.0739316 0.486469 59.4473 -41.0136 -37.5305 # jumping subtree containing T0136:D 55 (54) jump= 0.232655 0.252865 0.839001 0.42191 169.761 -83.2711 68.4918 # jumping subtree containing T0136:P 56 (55) jump= 0.934769 0.171921 0.048991 -0.307003 9.1273 86.2274 5.9457 # generation 76: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.7821 cost/residue, 124 clashes 0.0261839 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 329 ## TwoFragment 6 ## CrossOver 76 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 449 ## OptSubtree 921 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.967512 -0.00755016 -0.183071 0.174211 11.3383 -54.7914 -56.7699 # jumping subtree containing T0136:D 55 (54) jump= -0.931795 0.23677 -0.0781836 -0.263792 21.8513 -90.1288 41.6359 # jumping subtree containing T0136:Q 41 (40) jump= -0.446148 0.672017 -0.589245 0.0462112 80.1525 68.3341 93.4263 # jumping subtree containing T0136:L 50 (49) jump= 0.136944 -0.238879 -0.955375 0.106966 236.259 -44.1588 54.7957 # jumping subtree containing T0136:V 79 (78) jump= -0.994731 0.10245 -0.000774461 -0.00380891 -2.60326 -1.23646 12.1101 # jumping subtree containing T0136:L 72 (71) jump= -0.882267 -0.0450209 -0.449085 0.133793 13.8841 54.2 92.3781 # jumping subtree containing T0136:Q 41 (40) jump= 0.709588 0.583782 0.394183 0.0173991 13.1211 -31.73 119.147 # jumping subtree containing T0136:A 1 (0) jump= -0.955368 0.00227426 -0.0588298 0.289491 17.4891 74.1536 29.447 # jumping subtree containing T0136:L 72 (71) jump= -0.534527 -0.651866 0.513495 -0.160235 80.5363 108.837 0.351444 # jumping subtree containing T0136:V 79 (78) jump= 0.998912 0.0213104 0.040975 0.00646684 -18.9877 1.15798 -13.0482 # jumping subtree containing T0136:A 1 (0) jump= 0.9247 -0.0455102 0.27805 0.256021 32.0004 -70.7768 48.9786 # jumping subtree containing T0136:I 26 (25) jump= -0.00750991 0.967536 0.212402 -0.136757 16.8826 -31.5986 49.4421 # generation 77: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.685 cost/residue, 123 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 330 ## TwoFragment 6 ## CrossOver 76 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 455 ## OptSubtree 941 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= 0.826442 0.437505 -0.107751 -0.337599 39.1371 105.666 30.8484 # jumping subtree containing T0136:Q 41 (40) jump= 0.125476 -0.454499 0.707803 -0.526024 185.9 124.203 -34.407 # jumping subtree containing T0136:V 79 (78) jump= 0.564021 -0.288096 0.647196 -0.424286 103.097 89.6785 112.706 # jumping subtree containing T0136:V 79 (78) jump= -0.0922155 0.182798 0.692021 0.692234 232.989 -52.7466 -1.46174 # jumping subtree containing T0136:V 79 (78) jump= 0.337244 0.0231677 -0.929113 -0.149927 224.291 -19.2568 -8.6284 # jumping subtree containing T0136:L 72 (71) jump= 0.586708 0.771935 -0.159845 -0.185307 35.0117 123.422 73.7235 # jumping subtree containing T0136:V 79 (78) jump= 0.634001 -0.364622 -0.677551 -0.0775712 150.043 -72.0908 -63.7507 # jumping subtree containing T0136:D 55 (54) jump= 0.376953 0.240142 -0.84635 0.289706 229.49 48.0872 -56.3711 # jumping subtree containing T0136:D 55 (54) jump= 0.0815133 -0.323658 0.295672 -0.895086 187.71 40.9596 -72.0022 # jumping subtree containing T0136:A 1 (0) jump= 0.840701 0.0723337 0.27908 -0.45837 48.3731 94.4581 80.1572 # generation 78: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.685 cost/residue, 123 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 330 ## TwoFragment 6 ## CrossOver 79 ## CrossAndInsert 16 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 459 ## OptSubtree 964 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.409809 -0.185541 -0.641352 0.62153 212.729 -42.4198 3.64733 # jumping subtree containing T0136:Q 41 (40) jump= 0.946852 -0.0154667 -0.283431 0.151322 51.6195 -24.0282 -69.6348 # jumping subtree containing T0136:K 37 (36) jump= -0.338068 -0.2303 -0.138935 -0.90187 184.755 -98.8986 -37.891 # jumping subtree containing T0136:E 32 (31) jump= 0.946265 -0.0872734 -0.310018 0.0292445 34.6911 -29.2037 -73.5876 # jumping subtree containing T0136:K 37 (36) jump= 0.411912 -0.579387 0.634539 0.303313 129.589 45.5084 166.808 # jumping subtree containing T0136:V 79 (78) jump= 0.955056 -0.0767568 0.23453 0.164231 10.7614 -30.8898 38.5412 # jumping subtree containing T0136:V 79 (78) jump= -0.897752 0.0479423 0.42933 0.0861386 64.703 16.2337 -100.61 # jumping subtree containing T0136:V 79 (78) jump= 0.555871 -0.723384 -0.338759 -0.230141 42.0053 -61.6017 -23.1015 # generation 79: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4847 cost/residue, 122 clashes 0.0264383 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 330 ## TwoFragment 6 ## CrossOver 79 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 471 ## OptSubtree 983 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.117579 0.0228525 -0.672617 -0.730233 245.61 -40.0791 35.7815 # jumping subtree containing T0136:V 79 (78) jump= -0.0826519 0.428196 0.86213 -0.25797 197.569 -88.3558 65.3397 # jumping subtree containing T0136:V 79 (78) jump= 0.866741 -0.477075 0.109475 0.0957826 20.79 -48.4618 62.3355 # jumping subtree containing T0136:V 79 (78) jump= -0.425425 -0.100415 -0.889876 0.13058 175.277 2.05408 128.518 # jumping subtree containing T0136:V 79 (78) jump= 0.435617 0.263414 -0.838831 -0.19291 240.889 64.4954 15.2559 # jumping subtree containing T0136:V 79 (78) jump= -0.316087 -0.662694 -0.666524 0.129116 93.1605 -67.8227 128.417 # jumping subtree containing T0136:A 1 (0) jump= -0.708981 0.265642 0.165049 -0.632091 144.604 -108.007 33.8187 # generation 80: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4846 cost/residue, 122 clashes 0.0264382 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 330 ## TwoFragment 6 ## CrossOver 80 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 472 ## OptSubtree 1010 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.133922 0.77711 0.60347 0.118271 96.8603 -148.119 2.22051 # jumping subtree containing T0136:Q 41 (40) jump= 0.380155 0.718606 -0.578538 0.0661857 76.4542 115.05 -9.28756 # jumping subtree containing T0136:V 79 (78) jump= -0.174901 0.305254 -0.884903 0.305248 203.216 85.1368 106.973 # jumping subtree containing T0136:V 79 (78) jump= -0.966087 0.0695019 -0.186734 -0.164244 8.13406 -33.2107 36.7697 # jumping subtree containing T0136:A 1 (0) jump= -0.57569 0.193374 -0.318333 0.727909 121.984 138.617 26.7309 # jumping subtree containing T0136:Q 41 (40) jump= -0.385473 -0.188818 -0.861563 0.271049 214.075 -5.60021 146.379 # jumping subtree containing T0136:Q 41 (40) jump= -0.787741 -0.569548 -0.0364297 -0.231844 24.9262 -45.4842 10.6134 # generation 81: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4846 cost/residue, 122 clashes 0.0264387 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 330 ## TwoFragment 6 ## CrossOver 80 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 485 ## OptSubtree 1033 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:K 37 (36) jump= -0.555824 -0.718055 0.225214 0.353179 69.9684 94.4046 84.6018 # jumping subtree containing T0136:A 1 (0) jump= -0.696658 -0.564394 0.00146616 0.44286 61.9486 96.2408 94.5304 # jumping subtree containing T0136:V 79 (78) jump= -0.0057432 -0.243855 0.702652 0.668417 216.251 14.3208 97.3803 # jumping subtree containing T0136:R 15 (14) jump= 0.350263 0.272751 -0.892374 0.0811848 200.189 39.7001 -69.49 # jumping subtree containing T0136:V 79 (78) jump= -0.997402 -0.0681615 -0.0233162 -0.000774896 -9.00955 -6.43766 5.40921 # jumping subtree containing T0136:Q 41 (40) jump= -0.298542 0.332859 -0.423845 0.787676 181.892 75.0708 -36.4038 # generation 82: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4846 cost/residue, 122 clashes 0.0264379 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 330 ## TwoFragment 6 ## CrossOver 82 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 489 ## OptSubtree 1054 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.116481 0.654625 -0.252741 0.702866 122.64 80.1952 -73.4593 # jumping subtree containing T0136:Q 41 (40) jump= -0.914632 -0.131071 0.353033 0.147091 72.9552 38.682 -55.6983 # jumping subtree containing T0136:A 1 (0) jump= 0.826128 -0.0809024 0.0636368 -0.554002 68.4475 128.017 15.0089 # jumping subtree containing T0136:Q 41 (40) jump= 0.958449 0.266057 0.00421408 0.102818 20.8667 7.96147 -20.3094 # jumping subtree containing T0136:V 79 (78) jump= -0.215938 -0.23539 0.117246 0.940327 245.363 64.8306 29.8194 # jumping subtree containing T0136:L 50 (49) jump= 0.405504 -0.172605 0.0350259 -0.896966 182.527 101.839 -30.2339 # jumping subtree containing T0136:A 1 (0) jump= -0.252291 0.536236 -0.176993 0.785795 134.175 51.4375 -63.0036 # jumping subtree containing T0136:R 33 (32) jump= 0.290282 0.557976 -0.685252 0.36719 127.157 98.138 -80.3093 # generation 83: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4845 cost/residue, 122 clashes 0.0264379 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 330 ## TwoFragment 6 ## CrossOver 83 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 492 ## OptSubtree 1074 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= -0.44502 -0.273164 0.846979 -0.0998286 212.657 75.0168 -71.4913 # jumping subtree containing T0136:V 79 (78) jump= -0.586715 -0.405769 0.6997 -0.0392073 163.345 86.6805 -35.0661 # jumping subtree containing T0136:L 50 (49) jump= 0.74539 -0.376722 -0.160922 0.525907 73.7675 -117.899 23.6753 # jumping subtree containing T0136:A 1 (0) jump= 0.982481 0.0553035 -0.0701372 -0.163562 1.52456 47.1512 -30.4168 # jumping subtree containing T0136:V 79 (78) jump= 0.995849 -0.0593393 0.058598 0.036457 1.4853 0.999895 -7.96259 # generation 84: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4614 cost/residue, 121 clashes 0.0264378 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 85 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 494 ## OptSubtree 1093 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.72499 -0.12823 -0.309088 0.602006 94.3554 161.423 81.5591 # jumping subtree containing T0136:Q 41 (40) jump= -0.430981 0.390728 0.606349 -0.542152 233.357 -107.472 13.1697 # jumping subtree containing T0136:A 1 (0) jump= 0.911368 0.0500279 -0.404069 0.0602878 56.5843 -14.9099 -66.6782 # jumping subtree containing T0136:K 37 (36) jump= -0.907412 -0.0703387 0.113134 0.398569 43.6765 85.8494 -34.8158 # jumping subtree containing T0136:A 1 (0) jump= 0.0482944 0.620624 0.333257 0.708119 110.738 -92.6999 -77.9236 # jumping subtree containing T0136:L 50 (49) jump= 0.976936 0.147047 0.154775 0.00423 -11.6314 -5.86422 31.2146 # jumping subtree containing T0136:A 1 (0) jump= 0.831541 -0.0208958 -0.0613492 0.551669 65.2647 -99.0128 -4.57676 # jumping subtree containing T0136:Q 41 (40) jump= 0.84142 0.465417 -0.190639 -0.197626 29.0904 69.4092 -29.8356 # generation 85: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4614 cost/residue, 121 clashes 0.0264379 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 86 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 498 ## OptSubtree 1117 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.723264 -0.497661 -0.476647 -0.04507 61.3868 -83.4816 -58.9158 # generation 86: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4613 cost/residue, 121 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 87 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 502 ## OptSubtree 1145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.985592 -0.104778 0.129957 0.0272074 -10.4594 -10.4775 23.0247 # jumping subtree containing T0136:L 50 (49) jump= 0.784623 -0.317444 -0.362849 -0.389791 81.0527 29.7469 -112.425 # jumping subtree containing T0136:L 50 (49) jump= 0.826248 0.391363 0.394454 -0.0924973 16.0559 11.5225 104.71 # Removing break before 40 # jumping subtree containing T0136:A 1 (0) jump= 0.929282 -0.146874 -0.26464 0.211729 77.6571 -67.1832 -43.2249 # jumping subtree containing T0136:K 37 (36) jump= 0.915398 0.0102969 -0.330191 -0.23003 72.9077 69.6894 -78.6762 # jumping subtree containing T0136:V 79 (78) jump= 0.161465 0.923759 0.122966 -0.324773 50.5489 5.33018 170.752 # jumping subtree containing T0136:V 79 (78) jump= -0.979357 -0.0167494 -0.13623 0.148395 6.11653 19.3422 27.3984 # jumping subtree containing T0136:R 23 (22) jump= 0.0317148 -0.0189801 0.206544 -0.977739 279.267 30.1149 -21.0164 # generation 87: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4613 cost/residue, 121 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 87 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 502 ## OptSubtree 1169 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.560521 -0.711934 -0.0427526 -0.420877 15.1829 39.7527 -14.022 # jumping subtree containing T0136:Q 41 (40) jump= -0.997141 0.0106753 0.00679791 -0.0745024 -10.714 -22.7197 7.555 # jumping subtree containing T0136:Q 22 (21) jump= 0.399907 0.70233 0.496418 -0.316821 93.1869 -23.0549 127.206 # jumping subtree containing T0136:Q 24 (23) jump= 0.424039 0.831007 -0.144759 0.32964 30.6515 39.5645 -68.3263 # jumping subtree containing T0136:V 79 (78) jump= -0.0156992 0.0789959 -0.904347 -0.41913 241.587 -4.25738 92.5512 # jumping subtree containing T0136:V 79 (78) jump= 0.99868 0.0286499 -0.0426249 -0.00124473 2.95155 3.59891 6.17865 # jumping subtree containing T0136:A 1 (0) jump= -0.809621 0.176625 -0.164109 0.53515 36.9312 125.282 31.9092 # jumping subtree containing T0136:L 50 (49) jump= -0.258193 0.786678 0.536229 -0.16411 94.0664 -104.491 68.1056 # jumping subtree containing T0136:A 1 (0) jump= 0.692867 0.029236 0.509606 -0.509296 96.8061 102.016 96.0108 # jumping subtree containing T0136:G 14 (13) jump= 0.717831 -0.0178842 -0.692216 0.0723565 145.571 -29.802 -102.174 # generation 88: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4613 cost/residue, 121 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 89 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 503 ## OptSubtree 1190 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.775788 -0.546239 -0.314508 -0.0293468 44.4092 -51.3411 -47.8964 # jumping subtree containing T0136:V 79 (78) jump= -0.972289 0.173929 0.101242 -0.118967 27.7071 -54.1713 9.95568 # jumping subtree containing T0136:V 79 (78) jump= -0.786465 -0.476614 -0.000469584 -0.392825 33.37 -43.6955 -27.2194 # jumping subtree containing T0136:V 79 (78) jump= 0.749962 -0.413636 -0.495902 0.143328 108.851 -101.665 -49.214 # Removing break before 40 # jumping subtree containing T0136:G 31 (30) jump= 0.590972 0.605806 0.39596 -0.356323 85.8615 25.5227 183.697 # generation 89: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4613 cost/residue, 121 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 91 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 503 ## OptSubtree 1212 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.728 0.0783275 -0.29812 -0.612377 74.9466 -129.744 67.3772 # jumping subtree containing T0136:V 79 (78) jump= -0.201142 -0.802686 -0.145166 0.542369 105.497 37.3091 185.881 # jumping subtree containing T0136:V 79 (78) jump= -0.0397913 -0.290707 0.877107 0.38025 255.162 43.954 94.3083 # jumping subtree containing T0136:Q 41 (40) jump= -0.488631 0.371995 -0.739547 0.275555 119.84 130.691 153.269 # jumping subtree containing T0136:F 65 (64) jump= -0.963356 -0.141187 -0.0389028 -0.224719 1.72123 -46.8689 -10.264 # generation 90: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4613 cost/residue, 121 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 93 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 503 ## OptSubtree 1234 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.947342 -0.298849 0.0859578 0.0764474 31.1644 64.3594 -9.95056 # jumping subtree containing T0136:L 50 (49) jump= 0.692417 0.0459931 0.331772 -0.639039 125.567 120.012 72.2416 # Removing break before 40 # jumping subtree containing T0136:V 25 (24) jump= 0.222892 -0.407256 -0.435094 0.771463 245.786 -64.2053 86.2825 # jumping subtree containing T0136:Q 41 (40) jump= -0.94336 0.0454362 0.199352 -0.261277 71.1152 -65.5649 -60.8743 # jumping subtree containing T0136:A 1 (0) jump= -0.594025 0.00900274 -0.804368 0.00674443 88.5313 10.9469 176.899 # generation 91: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4613 cost/residue, 121 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 95 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 503 ## OptSubtree 1256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.826324 0.096058 -0.378835 0.40552 111.911 -45.555 -72.1006 # jumping subtree containing T0136:V 79 (78) jump= 0.879704 -0.00815666 0.272154 -0.389854 34.33 92.8004 88.9414 # jumping subtree containing T0136:A 1 (0) jump= -0.342181 0.93511 0.0730331 -0.0561051 12.5266 -31.6072 119.163 # jumping subtree containing T0136:V 79 (78) jump= -0.363403 -0.542996 -0.710194 0.262142 140.845 -47.665 172.277 # jumping subtree containing T0136:V 79 (78) jump= 0.753743 0.611143 -0.208339 -0.122352 41.4846 99.6782 25.4012 # jumping subtree containing T0136:V 79 (78) jump= 0.784232 0.290581 0.247159 0.489341 55.0867 -90.5539 38.0781 # jumping subtree containing T0136:Q 41 (40) jump= -0.650106 0.0328079 -0.350188 0.673539 126.928 147.507 76.05 # jumping subtree containing T0136:A 1 (0) jump= 0.596695 0.743439 0.151286 -0.261469 14.7475 73.2721 118.589 # generation 92: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.4613 cost/residue, 121 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 99 ## CrossAndInsert 16 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 503 ## OptSubtree 1276 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 49 (48) jump= 0.60931 0.54305 -0.516509 0.258953 94.4815 67.0626 -84.9653 # jumping subtree containing T0136:Q 41 (40) jump= 0.399628 0.0574016 -0.797253 0.448765 292.673 3.90332 -5.77809 # jumping subtree containing T0136:L 50 (49) jump= -0.0403386 -0.810221 0.574345 -0.109741 103.569 115.484 47.37 # jumping subtree containing T0136:A 1 (0) jump= -0.707243 -0.385371 0.0735542 0.588121 84.0096 131.835 67.6725 # jumping subtree containing T0136:L 50 (49) jump= 0.76663 0.134184 0.553065 -0.297309 63.7643 57.8877 148.934 # jumping subtree containing T0136:V 79 (78) jump= -0.165877 0.265049 -0.322391 0.893475 200.703 84.1467 -55.2595 # jumping subtree containing T0136:V 79 (78) jump= 0.416055 0.758777 0.500126 0.0320813 26.5896 -86.5156 126.372 # jumping subtree containing T0136:A 1 (0) jump= 0.168447 -0.403895 -0.0732092 -0.896178 161.401 65.0424 -89.9264 # generation 93: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 99 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 503 ## OptSubtree 1299 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.138709 0.325954 0.73148 -0.582624 273.506 -49.9377 96.5088 # jumping subtree containing T0136:Q 41 (40) jump= -0.977022 0.155598 0.108545 0.097135 25.3951 0.885499 -30.9914 # jumping subtree containing T0136:L 54 (53) jump= -0.693264 0.430737 -0.576453 0.0394081 59.4497 40.0442 116.937 # jumping subtree containing T0136:V 79 (78) jump= -0.45075 -0.415998 0.313555 0.724881 188.629 124.739 39.5396 # jumping subtree containing T0136:L 50 (49) jump= -0.858382 -0.373528 0.276408 -0.217384 41.6964 30.9725 -58.6322 # jumping subtree containing T0136:V 79 (78) jump= 0.427172 0.416242 0.683879 -0.42021 124.367 16.1901 152.538 # jumping subtree containing T0136:K 37 (36) jump= -0.959137 0.187791 -0.0421258 0.207406 25.9855 37.617 -6.84132 # jumping subtree containing T0136:Q 41 (40) jump= -0.398124 0.730832 -0.35057 0.429513 42.6886 129.076 2.9622 # jumping subtree containing T0136:R 69 (68) jump= 0.644679 -0.422584 0.311702 -0.555566 60.6343 82.9748 20.3431 # jumping subtree containing T0136:L 50 (49) jump= 0.941988 0.217598 0.0334879 -0.253353 23.0306 74.7153 45.6166 # jumping subtree containing T0136:A 1 (0) jump= -0.943263 0.273224 -0.18861 -0.00552801 -15.6861 -16.7844 66.7454 # jumping subtree containing T0136:E 48 (47) jump= 0.875549 -0.284838 0.116519 0.372432 39.6219 -106.756 65.9196 # jumping subtree containing T0136:L 50 (49) jump= -0.417442 -0.254788 -0.333421 -0.806012 180.447 -81.421 -21.7342 # jumping subtree containing T0136:V 79 (78) jump= -0.783427 0.270288 0.0859171 0.552996 64.8664 83.3145 -40.095 # jumping subtree containing T0136:A 1 (0) jump= 0.489752 -0.363002 0.234635 -0.757178 99.7438 134.781 -22.0727 # jumping subtree containing T0136:V 79 (78) jump= 0.868767 -0.0134518 -0.165653 0.4665 68.631 -64.6676 -42.6418 # jumping subtree containing T0136:V 79 (78) jump= -0.999825 -0.0104983 -0.0153543 0.00205233 0.864617 -20.1769 21.6942 # jumping subtree containing T0136:L 50 (49) jump= 0.835431 -0.469835 -0.130711 -0.253427 38.6692 0.482634 -33.5257 # generation 94: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 100 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 510 ## OptSubtree 1315 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.992317 0.0803386 0.0878474 -0.0337034 -23.7677 10.4376 19.4073 # jumping subtree containing T0136:A 1 (0) jump= -0.135826 0.529555 0.831683 0.0970874 173.978 -107.296 69.1902 # jumping subtree containing T0136:Q 18 (17) jump= 0.932148 0.124818 -0.0945913 0.326455 41.6436 -60.6071 -25.119 # jumping subtree containing T0136:V 79 (78) jump= -0.260896 -0.754533 0.573438 0.183801 128.698 137.599 87.8397 # jumping subtree containing T0136:R 49 (48) jump= 0.722765 -0.262643 -0.293626 -0.567814 88.4789 56.9441 -72.5465 # jumping subtree containing T0136:V 79 (78) jump= 0.738643 0.534187 0.225708 0.343666 12.1594 -72.1041 -1.32095 # jumping subtree containing T0136:A 1 (0) jump= -0.773548 0.046453 -0.130902 0.618329 86.3302 137.412 30.5705 # jumping subtree containing T0136:A 1 (0) jump= 0.706247 -0.483489 0.450287 -0.254352 29.734 91.4057 93.9111 # jumping subtree containing T0136:R 49 (48) jump= -0.204197 -0.234046 0.152295 0.93826 260.166 66.2538 30.6033 # jumping subtree containing T0136:R 49 (48) jump= -0.228619 0.513857 0.687116 -0.459953 211.405 -77.1299 83.6151 # jumping subtree containing T0136:K 37 (36) jump= -0.565953 0.447249 0.181463 -0.668384 167.429 -123.27 67.473 # generation 95: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 102 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 513 ## OptSubtree 1342 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 50 (49) jump= -0.726415 -0.0926848 -0.0732151 0.67703 114.283 166.24 16.3009 # jumping subtree containing T0136:V 79 (78) jump= 0.112638 0.911643 0.340003 0.201541 22.9699 -60.611 35.7171 # jumping subtree containing T0136:V 79 (78) jump= -0.97516 0.0439601 -0.182512 -0.117555 18.3112 -17.5704 59.0736 # jumping subtree containing T0136:D 76 (75) jump= 0.555004 0.146067 -0.42613 0.69932 173.026 -43.0811 -46.4608 # jumping subtree containing T0136:R 49 (48) jump= -0.251759 -0.419822 0.0164901 -0.871834 167.64 -28.6626 -69.6768 # jumping subtree containing T0136:Q 41 (40) jump= -0.998304 -0.0559268 0.0130965 -0.00945604 -24.886 5.50314 -0.570096 # jumping subtree containing T0136:V 79 (78) jump= 0.291734 -0.139486 -0.814842 0.48111 242.769 -25.5054 7.48772 # jumping subtree containing T0136:Q 41 (40) jump= -0.830786 -0.160376 0.0874239 0.525767 70.3211 124.694 -16.8572 # jumping subtree containing T0136:K 37 (36) jump= -0.862892 -0.260957 -0.0870274 -0.423964 43.9095 -76.6648 -28.237 # jumping subtree containing T0136:R 49 (48) jump= -0.437834 -0.107623 -0.860048 0.238823 175.273 33.9118 173.812 # generation 96: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 102 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 513 ## OptSubtree 1366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.559646 -0.52099 -0.111887 0.634702 147.291 -117.432 76.2986 # jumping subtree containing T0136:V 79 (78) jump= -0.421725 -0.626793 0.555174 0.347936 141.999 131.403 59.6076 # jumping subtree containing T0136:E 61 (60) jump= 0.0222531 -0.660475 0.660255 0.356849 143.498 88.2499 139.927 # jumping subtree containing T0136:V 79 (78) jump= -0.993433 -0.00679406 -0.114211 -0.000614719 1.56386 -1.64257 26.863 # jumping subtree containing T0136:Q 41 (40) jump= 0.998767 0.0155955 0.0312872 -0.0352438 -4.55117 30.699 -1.41801 # jumping subtree containing T0136:V 79 (78) jump= -0.646101 0.630113 0.298889 -0.310124 81.3633 -101.647 48.5132 # jumping subtree containing T0136:A 1 (0) jump= -0.840582 -0.285452 -0.456914 -0.0562871 28.723 -34.3207 88.5693 # jumping subtree containing T0136:R 49 (48) jump= 0.323366 -0.0141455 -0.897488 -0.299582 225.86 25.8366 -15.4733 # jumping subtree containing T0136:K 37 (36) jump= 0.370508 -0.553179 -0.308892 -0.679192 119.451 14.9007 -112.327 # generation 97: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 103 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 513 ## OptSubtree 1389 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= -0.759001 0.39194 -0.363323 -0.371883 93.9458 -75.6094 146.047 # jumping subtree containing T0136:V 79 (78) jump= -0.870629 -0.161407 0.102908 0.453169 87.0356 107.577 -3.5302 # jumping subtree containing T0136:V 79 (78) jump= 0.86131 -0.436276 0.257777 -0.0368752 3.59687 -0.539544 46.2955 # jumping subtree containing T0136:V 79 (78) jump= 0.785296 -0.0776626 0.200917 0.58044 99.3942 -120.614 37.7499 # jumping subtree containing T0136:K 37 (36) jump= 0.0498482 0.534606 -0.688003 -0.488225 251.289 86.3968 143.37 # jumping subtree containing T0136:V 79 (78) jump= 0.0660824 -0.393348 0.79798 0.451817 202.408 41.8926 131.45 # jumping subtree containing T0136:Q 41 (40) jump= 0.49238 0.176119 0.792101 0.314835 136.191 -107.568 167.117 # jumping subtree containing T0136:V 79 (78) jump= 0.25878 0.0907842 -0.583953 0.764062 240.597 -8.96483 -7.92086 # jumping subtree containing T0136:K 37 (36) jump= 0.694285 0.624163 -0.223568 -0.280013 75.6453 153.097 59.8593 # generation 98: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 105 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 513 ## OptSubtree 1411 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.488178 0.338161 -0.43242 0.678486 172.723 -9.42434 -92.3488 # Removing break before 40 # jumping subtree containing T0136:Q 18 (17) jump= -0.0546204 -0.28159 -0.936714 -0.200725 245.195 -67.1158 48.7483 # jumping subtree containing T0136:L 50 (49) jump= 0.584366 -0.32505 -0.742478 -0.0398058 166.766 -73.3086 -37.9407 # jumping subtree containing T0136:V 79 (78) jump= 0.926772 -0.220833 0.0874156 -0.291006 35.6716 44.8612 8.59048 # jumping subtree containing T0136:E 13 (12) jump= -0.149559 0.586761 0.267619 0.749482 150.635 13.8878 -89.5876 # jumping subtree containing T0136:V 79 (78) jump= -0.924306 -0.200328 -0.0497668 -0.321013 25.6873 -33.6296 -8.01259 # jumping subtree containing T0136:V 79 (78) jump= 0.943819 0.00109008 -0.307034 0.12221 60.9164 -19.7086 -56.4146 # generation 99: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 108 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 513 ## OptSubtree 1432 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 40 # jumping subtree containing T0136:K 37 (36) jump= 0.608993 -0.650864 0.375676 -0.253714 -5.99609 79.628 81.7197 # jumping subtree containing T0136:Q 38 (37) jump= 0.900636 0.224095 0.362327 -0.0857581 -18.8108 33.7164 113.99 # jumping subtree containing T0136:A 1 (0) jump= -0.999203 0.00862457 0.0161818 -0.0354481 -4.73704 -25.9249 -3.62387 # jumping subtree containing T0136:R 47 (46) jump= -0.424865 0.307637 -0.63223 -0.570206 163.801 -45.1649 153.403 # jumping subtree containing T0136:R 49 (48) jump= -0.874702 -0.0319625 -0.480204 0.0572664 50.9046 10.9461 116.086 # jumping subtree containing T0136:E 48 (47) jump= -0.961113 -0.233559 -0.145508 0.0232074 17.7734 20.2018 46.9716 # jumping subtree containing T0136:R 33 (32) jump= 0.190379 -0.353866 0.586707 -0.703071 196.533 128.41 33.3814 # jumping subtree containing T0136:R 66 (65) jump= 0.197369 -0.363918 0.898491 0.146027 166.378 58.9481 157.93 # jumping subtree containing T0136:V 79 (78) jump= -0.999132 0.0385072 -0.0136666 0.00815427 19.4626 -12.9852 -4.14762 # jumping subtree containing T0136:T 71 (70) jump= -0.989619 0.132516 -0.0276616 0.048252 15.1826 2.1564 3.97572 # generation 100: best score out of 40: T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA 61.3969 cost/residue, 107 clashes 0.0264381 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 103 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 108 ## CrossAndInsert 17 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 513 ## OptSubtree 1456 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1575660379.pdb -s /projects/compbio/tmp/to_scwrl_1575660379.seq -o /projects/compbio/tmp/from_scwrl_1575660379.pdb -a /projects/compbio/tmp/from_scwrl_1575660379_a.pdb -b /projects/compbio/tmp/from_scwrl_1575660379_b.pdb > /projects/compbio/tmp/scwrl_1575660379.log # T0136.try1-al10+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA-scwrl 62.2303 cost/residue 107 clashes 0.0264381 breaks # iteration 14 # filling pool to have 40 conformations # best score in initial pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[9] 72.6692 cost/residue, 122 clashes # 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 69.728 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 12 ## InsertFragment 11 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 3 ## ReduceClash 0 ## 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 69.3584 cost/residue, 166 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 20 ## InsertFragment 36 ## TwoFragment 1 ## CrossOver 1 ## CrossAndInsert 3 ## ReduceClash 2 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0136.try1-al10 69.1062 cost/residue, 163 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 56 ## TwoFragment 1 ## CrossOver 2 ## CrossAndInsert 5 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 1 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0136.try1-al10 68.933 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 69 ## TwoFragment 3 ## CrossOver 2 ## CrossAndInsert 7 ## ReduceClash 3 ## 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-al10 67.1399 cost/residue, 161 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 85 ## TwoFragment 3 ## CrossOver 3 ## CrossAndInsert 9 ## ReduceClash 6 ## 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-al10 67.0083 cost/residue, 120 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 37 ## InsertFragment 98 ## TwoFragment 3 ## CrossOver 3 ## CrossAndInsert 11 ## ReduceClash 8 ## 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-al10 66.8992 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 45 ## InsertFragment 114 ## TwoFragment 3 ## CrossOver 3 ## CrossAndInsert 11 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al10 66.8992 cost/residue, 159 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 51 ## InsertFragment 127 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 14 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al10 66.4575 cost/residue, 114 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 57 ## InsertFragment 142 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 15 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al10 66.4575 cost/residue, 114 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 57 ## InsertFragment 157 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 17 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al10 66.4575 cost/residue, 114 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 171 ## TwoFragment 5 ## CrossOver 7 ## CrossAndInsert 20 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al10 66.3493 cost/residue, 158 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 62 ## InsertFragment 182 ## TwoFragment 5 ## CrossOver 9 ## CrossAndInsert 24 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al10 66.3493 cost/residue, 158 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 64 ## InsertFragment 193 ## TwoFragment 5 ## CrossOver 9 ## CrossAndInsert 26 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al10 66.0232 cost/residue, 119 clashes # Cumulative usage by method: ## InsertAlignment 2 ## InsertSpecificFragment 67 ## InsertFragment 209 ## TwoFragment 5 ## CrossOver 10 ## CrossAndInsert 27 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing T0136:E 32 (31) jump= 0.421179 0.597984 -0.658078 0.178768 2.15304 13.0096 6.37514 # jumping subtree containing T0136:A 1 (0) jump= -0.262256 -0.0277698 -0.840393 0.473487 17.4509 13.7571 12.7351 # generation 15: best score out of 40: T0136.try1-al10 65.8311 cost/residue, 185 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 70 ## InsertFragment 216 ## TwoFragment 5 ## CrossOver 12 ## CrossAndInsert 28 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 5 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 10 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:F 65 (64) jump= -0.169302 0.784483 0.282142 -0.525661 87.7152 68.5252 155.003 # generation 16: best score out of 40: T0136.try1-al10 65.0514 cost/residue, 155 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 75 ## InsertFragment 226 ## TwoFragment 5 ## CrossOver 15 ## CrossAndInsert 28 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 11 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al10 64.9374 cost/residue, 134 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 75 ## InsertFragment 237 ## TwoFragment 5 ## CrossOver 18 ## CrossAndInsert 30 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 14 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing T0136:G 31 (30) jump= 0.999957 -0.00295722 -0.00882103 0.000656448 0.061159 12.9348 -21.8667 # jumping subtree containing T0136:A 1 (0) jump= -0.988741 -0.0956691 -0.064958 0.0949674 -13.1767 23.6292 -9.05056 # generation 18: best score out of 40: T0136.try1-al10 64.8134 cost/residue, 132 clashes # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 79 ## InsertFragment 244 ## TwoFragment 6 ## CrossOver 18 ## CrossAndInsert 30 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 17 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing T0136:A 1 (0) jump= -0.978802 0.0595852 -0.136343 0.140737 -35.5996 21.4514 10.9174 # jumping subtree containing T0136:E 21 (20) jump= 0.310681 -0.525171 -0.688476 0.392012 87.1125 1.44707 98.7158 # generation 19: best score out of 40: T0136.try1-al10 64.4535 cost/residue, 143 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 80 ## InsertFragment 255 ## TwoFragment 6 ## CrossOver 19 ## CrossAndInsert 31 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 20 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 71 # generation 20: best score out of 40: T0136.try1-al10 64.1083 cost/residue, 132 clashes 0.0193999 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 80 ## InsertFragment 265 ## TwoFragment 6 ## CrossOver 20 ## CrossAndInsert 33 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 25 ## OptSubtree 41 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 62 (61) jump= -0.952675 0.221245 -0.178111 -0.108338 5.59047 -15.2009 88.2561 # Removing break before 64 # Removing break before 60 # generation 21: best score out of 40: T0136.try1-al10 64.1083 cost/residue, 132 clashes 0.0193999 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 81 ## InsertFragment 271 ## TwoFragment 6 ## CrossOver 22 ## CrossAndInsert 33 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 28 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 64 # Removing break before 64 # generation 22: best score out of 40: T0136.try1-al10 64.0724 cost/residue, 133 clashes 0.0292345 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 84 ## InsertFragment 276 ## TwoFragment 6 ## CrossOver 23 ## CrossAndInsert 34 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 34 ## OptSubtree 57 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 64 # Removing break before 64 # Removing break before 64 # generation 23: best score out of 40: T0136.try1-al10 63.5469 cost/residue, 138 clashes 0.0292345 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 84 ## InsertFragment 281 ## TwoFragment 6 ## CrossOver 27 ## CrossAndInsert 34 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 39 ## OptSubtree 63 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:A 1 (0) jump= -0.509085 0.454837 -0.318198 0.657804 57.0285 172.693 73.2185 # Removing break before 37 # Removing break before 37 # generation 24: best score out of 40: T0136.try1-al10 63.2386 cost/residue, 147 clashes 0.0292345 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 85 ## InsertFragment 287 ## TwoFragment 6 ## CrossOver 29 ## CrossAndInsert 36 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 46 ## OptSubtree 68 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 37 # Removing break before 37 # jumping subtree containing T0136:D 60 (59) jump= 0.533086 -0.0878153 -0.480763 -0.690634 40.4464 102.106 -41.7853 # generation 25: best score out of 40: T0136.try1-al10 63.2385 cost/residue, 147 clashes 0.0292346 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 293 ## TwoFragment 6 ## CrossOver 31 ## CrossAndInsert 36 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 52 ## OptSubtree 79 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 51 (50) jump= -0.0968488 0.451268 0.874338 0.150035 8.70576 -12.1819 21.7952 # generation 26: best score out of 40: T0136.try1-al10 63.1814 cost/residue, 146 clashes 0.0290497 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 300 ## TwoFragment 6 ## CrossOver 33 ## CrossAndInsert 36 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 60 ## OptSubtree 86 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 27: best score out of 40: T0136.try1-al10 62.887 cost/residue, 136 clashes 0.0290497 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 305 ## TwoFragment 6 ## CrossOver 34 ## CrossAndInsert 37 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 68 ## OptSubtree 96 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.794781 -0.153916 -0.49868 0.30976 -32.825 33.7088 80.9521 # jumping subtree containing T0136:Q 38 (37) jump= -0.924442 -0.0401257 -0.209226 0.316262 -6.43296 61.823 39.5083 # jumping subtree containing T0136:N 51 (50) jump= -0.0486004 0.725304 0.404761 -0.554744 33.4207 159.449 190.826 # jumping subtree containing T0136:H 39 (38) jump= 0.352468 0.851026 -0.150982 -0.358785 19.2504 177.685 -2.74191 # Removing break before 37 # generation 28: best score out of 40: T0136.try1-al10 62.8869 cost/residue, 136 clashes 0.0290497 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 308 ## TwoFragment 6 ## CrossOver 36 ## CrossAndInsert 37 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 74 ## OptSubtree 108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:E 21 (20) jump= -0.988756 0.00356241 0.00373664 0.149452 -9.15364 4.73847 -16.2787 # generation 29: best score out of 40: T0136.try1-al10 62.8465 cost/residue, 139 clashes 0.0290495 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 310 ## TwoFragment 6 ## CrossOver 38 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 82 ## OptSubtree 122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.271918 -0.639046 0.375712 -0.613613 157.557 153.166 -26.6117 # Removing break before 37 # Removing break before 37 # jumping subtree containing T0136:S 40 (39) jump= 0.206208 0.657203 0.125898 0.713941 65.4988 99.6137 -107.483 # jumping subtree containing T0136:Q 38 (37) jump= -0.875102 -0.311781 -0.317237 0.190658 -24.5707 50.5551 38.4292 # generation 30: best score out of 40: T0136.try1-al10 62.6509 cost/residue, 139 clashes 0.0129032 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 312 ## TwoFragment 6 ## CrossOver 38 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 87 ## OptSubtree 139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= -0.993377 -0.0363511 0.0468893 0.0983954 -16.4533 16.6229 -18.8254 # jumping subtree containing T0136:Q 38 (37) jump= 0.89751 0.253636 -0.228308 0.279322 87.2727 7.30524 -59.9806 # Removing break before 37 # generation 31: best score out of 40: T0136.try1-al10 62.6509 cost/residue, 139 clashes 0.0129032 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 313 ## TwoFragment 6 ## CrossOver 40 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 96 ## OptSubtree 151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:A 1 (0) jump= 0.982156 0.0804318 -0.0097716 -0.169719 -36.3883 54.0046 -0.675517 # generation 32: best score out of 40: T0136.try1-al10 62.5911 cost/residue, 144 clashes 0.0142698 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 317 ## TwoFragment 6 ## CrossOver 42 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 108 ## OptSubtree 158 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # Removing break before 37 # generation 33: best score out of 40: T0136.try1-al10 62.5911 cost/residue, 144 clashes 0.0142698 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 318 ## TwoFragment 6 ## CrossOver 44 ## CrossAndInsert 37 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 118 ## OptSubtree 170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.920306 -0.177121 0.115247 -0.329215 80.8104 2.13876 -35.8025 # jumping subtree containing T0136:T 71 (70) jump= 0.999971 0.00210147 0.00428033 -0.0058587 -9.41528 -2.76257 -19.9388 # Removing break before 37 # jumping subtree containing T0136:T 45 (44) jump= -0.680906 0.0614241 0.213547 -0.697848 186.78 3.25552 31.6504 # jumping subtree containing T0136:A 1 (0) jump= -0.154041 0.559226 -0.795655 -0.174558 153.05 115.327 32.992 # Removing break before 37 # generation 34: best score out of 40: T0136.try1-al10 62.5742 cost/residue, 141 clashes 0.0142698 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 321 ## TwoFragment 6 ## CrossOver 45 ## CrossAndInsert 37 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 127 ## OptSubtree 184 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.995325 -0.0305496 0.0459399 -0.0792762 -30.9064 21.0273 -5.97532 # jumping subtree containing T0136:A 1 (0) jump= -0.00399186 0.134792 0.0451593 0.989836 146.748 178.793 -43.2124 # jumping subtree containing T0136:H 68 (67) jump= 0.341695 -0.337545 -0.839278 0.254796 49.8161 -5.14059 31.0009 # jumping subtree containing T0136:L 72 (71) jump= -0.954796 0.160432 0.116154 0.221662 -23.5956 40.018 6.39138 # generation 35: best score out of 40: T0136.try1-al10 62.4273 cost/residue, 145 clashes 0.0142698 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 323 ## TwoFragment 6 ## CrossOver 49 ## CrossAndInsert 37 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 135 ## OptSubtree 196 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 38 # jumping subtree containing T0136:A 1 (0) jump= 0.502297 -0.428848 0.750602 0.0195915 155.197 53.7152 106.867 # jumping subtree containing T0136:L 72 (71) jump= -0.920903 0.0245841 -0.283102 -0.266809 51.3141 -16.477 7.47413 # jumping subtree containing T0136:L 72 (71) jump= -0.233316 -0.41674 -0.130525 0.868824 34.6844 136.528 52.0297 # generation 36: best score out of 40: T0136.try1-al10 62.4273 cost/residue, 145 clashes 0.0142698 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 324 ## TwoFragment 6 ## CrossOver 54 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 143 ## OptSubtree 212 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 39 (38) jump= -0.280223 -0.780805 0.328092 0.451856 109.035 224.097 4.5858 # jumping subtree containing T0136:H 39 (38) jump= 0.483293 0.799353 -0.0909333 -0.345245 -35.3854 122.294 -89.5975 # Removing break before 38 # jumping subtree containing T0136:T 11 (10) jump= 0.88408 -0.191084 -0.0886492 0.417169 117.611 -19.9639 20.617 # Removing break before 38 # jumping subtree containing T0136:S 40 (39) jump= 0.9999 0.00405982 -0.0135059 0.00116724 -14.068 -17.6016 -4.96787 # generation 37: best score out of 40: T0136.try1-al10 62.4249 cost/residue, 165 clashes 0.0142698 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 325 ## TwoFragment 6 ## CrossOver 57 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 151 ## OptSubtree 227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # Removing break before 38 # Removing break before 38 # jumping subtree containing T0136:L 72 (71) jump= 0.0640274 -0.0657062 -0.948682 0.302631 88.766 7.57263 67.6997 # generation 38: best score out of 40: T0136.try1-al10 62.3335 cost/residue, 171 clashes 0.0377322 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 326 ## TwoFragment 6 ## CrossOver 59 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 157 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # jumping subtree containing T0136:A 1 (0) jump= -0.504148 -0.498415 -0.581436 0.399185 -7.16237 46.0184 73.1223 # Removing break before 38 # jumping subtree containing T0136:H 39 (38) jump= -0.999987 0.00429866 -0.000388602 0.0027987 -5.04761 -25.2427 1.39174 # generation 39: best score out of 40: T0136.try1-al10 61.9615 cost/residue, 166 clashes 0.0579283 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 328 ## TwoFragment 6 ## CrossOver 60 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 169 ## OptSubtree 261 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 38 # jumping subtree containing T0136:T 71 (70) jump= 0.419521 0.679015 -0.587199 -0.134679 88.7739 119.678 -46.4776 # generation 40: best score out of 40: T0136.try1-al10 61.752 cost/residue, 171 clashes 0.0579283 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 329 ## TwoFragment 6 ## CrossOver 62 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 175 ## OptSubtree 281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:H 39 (38) jump= 0.94355 0.309508 0.103946 0.0558012 9.63948 5.26133 -62.0347 # jumping subtree containing T0136:T 71 (70) jump= 0.922552 -0.328008 -0.1328 0.153859 29.2092 0.611222 21.2728 # jumping subtree containing T0136:L 72 (71) jump= -0.615064 -0.429343 -0.523965 -0.403512 35.1258 -18.3588 -33.3776 # jumping subtree containing T0136:L 72 (71) jump= -0.555767 -0.0310105 0.630843 -0.540554 150.2 -10.4791 -9.35626 # generation 41: best score out of 40: T0136.try1-al10 61.5366 cost/residue, 169 clashes 0.0391451 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 67 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 187 ## OptSubtree 294 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.226992 0.318688 0.492723 -0.777262 83.5234 154.113 116.261 # jumping subtree containing T0136:T 71 (70) jump= -0.798796 0.251153 0.239907 -0.491214 64.2565 -19.5394 31.9856 # jumping subtree containing T0136:T 70 (69) jump= -0.375815 -0.0118887 -0.351771 0.857251 77.3806 146.802 69.6483 # generation 42: best score out of 40: T0136.try1-al10 61.5365 cost/residue, 169 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 70 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 194 ## OptSubtree 316 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.431463 0.550434 0.453456 0.552484 3.93188 86.0298 -47.7443 # jumping subtree containing T0136:A 78 (77) jump= -0.254504 0.734318 0.628439 -0.0326981 -5.99382 -2.00231 54.6102 # jumping subtree containing T0136:G 42 (41) jump= -0.764149 -0.276484 -0.562032 0.15412 -5.7413 7.8864 42.5694 # jumping subtree containing T0136:G 42 (41) jump= -0.863672 0.251091 -0.102842 0.424792 -22.5112 97.9492 50.1099 # jumping subtree containing T0136:T 71 (70) jump= 0.94841 0.0518159 0.237641 0.203374 27.3667 -3.09119 19.503 # generation 43: best score out of 40: T0136.try1-al10 61.3376 cost/residue, 174 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 74 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 201 ## OptSubtree 335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 34 (33) jump= 0.318487 0.623591 -0.618044 0.357382 154.967 170.13 -29.4634 # jumping subtree containing T0136:G 42 (41) jump= -0.37344 -0.0906452 0.665286 -0.640095 192.283 84.4027 28.2264 # jumping subtree containing T0136:E 13 (12) jump= -0.998431 0.0193721 -0.0517079 -0.00927747 -11.1699 -14.5927 23.9492 # jumping subtree containing T0136:G 42 (41) jump= -0.64714 -0.736921 0.182136 -0.0705963 23.0875 126.684 -96.5939 # jumping subtree containing T0136:E 13 (12) jump= -0.997357 0.0156495 -0.036069 -0.0610956 29.3907 -28.8699 -5.30411 # generation 44: best score out of 40: T0136.try1-al10 61.3376 cost/residue, 174 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 331 ## TwoFragment 6 ## CrossOver 75 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 208 ## OptSubtree 355 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.520221 0.299139 -0.733431 -0.319321 93.1295 93.7202 -99.2549 # generation 45: best score out of 40: T0136.try1-al10 61.3375 cost/residue, 174 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 334 ## TwoFragment 6 ## CrossOver 76 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 217 ## OptSubtree 370 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.430717 0.487103 -0.648541 0.395738 211.125 107.839 -32.2013 # jumping subtree containing T0136:L 72 (71) jump= 0.0946143 0.525041 0.839381 0.104019 31.8333 -5.04399 22.4872 # jumping subtree containing T0136:A 1 (0) jump= -0.996726 0.072357 0.0341549 0.0116032 4.78399 -25.4779 4.46747 # jumping subtree containing T0136:G 42 (41) jump= -0.670906 0.245394 0.56838 -0.408181 113.577 -21.8666 41.0395 # jumping subtree containing T0136:A 1 (0) jump= 0.456662 -0.580702 -0.134499 -0.66042 -27.3577 189.935 -14.4464 # generation 46: best score out of 40: T0136.try1-al10 61.3075 cost/residue, 173 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 336 ## TwoFragment 6 ## CrossOver 76 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 231 ## OptSubtree 381 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.702235 -0.00464909 0.698404 -0.138119 69.4181 6.1147 76.9275 # jumping subtree containing T0136:L 72 (71) jump= -0.90905 0.346049 0.032819 -0.229786 60.7173 12.6462 47.4595 # jumping subtree containing T0136:L 72 (71) jump= 0.0707658 0.85767 -0.424984 0.280682 106.502 147.511 -14.677 # generation 47: best score out of 40: T0136.try1-al10 61.3075 cost/residue, 173 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 336 ## TwoFragment 6 ## CrossOver 79 ## CrossAndInsert 37 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 236 ## OptSubtree 400 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.771568 0.0907447 0.586282 0.229611 27.0461 11.1912 -82.3352 # jumping subtree containing T0136:G 42 (41) jump= 0.887193 0.388677 0.180169 0.17134 16.197 22.1045 -79.2012 # jumping subtree containing T0136:L 72 (71) jump= -0.28426 0.61983 0.280487 0.675525 -36.8566 138.934 -1.77964 # jumping subtree containing T0136:G 42 (41) jump= 0.886572 0.325235 -0.312832 0.101727 44.8569 44.8582 -76.3916 # jumping subtree containing T0136:T 71 (70) jump= 0.99998 -0.00114579 0.00620603 -0.000232986 0.244368 17.8336 -9.59004 # jumping subtree containing T0136:L 72 (71) jump= -0.215184 -0.645693 0.557706 -0.475122 131.192 103.661 -30.0405 # jumping subtree containing T0136:L 72 (71) jump= 0.389811 -0.568973 0.664587 -0.287476 105.909 133.868 94.1906 # generation 48: best score out of 40: T0136.try1-al10 61.2644 cost/residue, 174 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 336 ## TwoFragment 6 ## CrossOver 80 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 243 ## OptSubtree 422 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= 0.671801 0.0506425 0.536719 0.507988 100.612 1.01252 -14.5011 # jumping subtree containing T0136:A 1 (0) jump= 0.19463 0.901414 0.377796 -0.082719 -69.6136 126.163 8.64919 # jumping subtree containing T0136:H 57 (56) jump= 0.482369 0.376968 0.537118 -0.580276 19.3696 99.6498 71.8964 # jumping subtree containing T0136:L 72 (71) jump= -0.308016 0.250086 0.597045 -0.697223 108.8 45.4901 94.9343 # generation 49: best score out of 40: T0136.try1-al10 60.9855 cost/residue, 159 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 337 ## TwoFragment 6 ## CrossOver 81 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 254 ## OptSubtree 437 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.832593 0.247303 -0.432399 -0.242199 52.4465 16.5814 56.0778 # jumping subtree containing T0136:L 72 (71) jump= 0.997546 -0.0367749 0.0583623 0.0120143 -8.39582 -23.3119 19.8687 # jumping subtree containing T0136:L 72 (71) jump= -0.701882 0.617331 -0.351402 0.0527245 44.3288 104.704 96.7081 # jumping subtree containing T0136:T 71 (70) jump= -0.686647 -0.700454 0.0161232 -0.19396 19.311 119.459 -71.9639 # generation 50: best score out of 40: T0136.try1-al10 60.9855 cost/residue, 159 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 84 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 260 ## OptSubtree 457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.204135 -0.15216 0.782084 0.568789 74.2585 82.9497 -79.6794 # jumping subtree containing T0136:L 72 (71) jump= 0.721613 -0.435871 -0.475544 0.251296 39.0621 -9.75473 58.0828 # jumping subtree containing T0136:A 1 (0) jump= 0.180928 0.0270268 0.724421 0.664642 162.094 57.1731 -61.2211 # jumping subtree containing T0136:A 1 (0) jump= 0.969712 -0.105021 -0.085764 0.203161 14.2338 -11.506 22.274 # jumping subtree containing T0136:L 72 (71) jump= 0.334345 -0.363105 0.442735 -0.748568 68.3259 154.892 51.4166 # generation 51: best score out of 40: T0136.try1-al10 60.9838 cost/residue, 159 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 85 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 271 ## OptSubtree 475 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.675732 0.538367 -0.345888 -0.365935 108.019 68.2289 99.7768 # jumping subtree containing T0136:N 3 (2) jump= 0.0592579 0.365704 -0.0983844 0.923618 114.874 180.735 -32.8004 # jumping subtree containing T0136:L 72 (71) jump= -0.999013 -0.0433159 -0.000901189 -0.00980493 -8.9579 -1.08106 -30.1548 # jumping subtree containing T0136:G 42 (41) jump= -0.847862 -0.281096 0.44681 0.0497667 49.0126 47.5454 -72.2985 # generation 52: best score out of 40: T0136.try1-al10 60.9838 cost/residue, 159 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 85 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 288 ## OptSubtree 492 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.968642 0.0387902 -0.245256 0.00883516 9.88203 -3.40995 -27.9216 # jumping subtree containing T0136:L 72 (71) jump= 0.994362 -0.0884817 0.0140293 0.0567389 15.6052 -12.3524 31.8435 # jumping subtree containing T0136:A 1 (0) jump= 0.670497 0.180762 -0.407136 -0.593295 4.57471 138.553 -77.0067 # jumping subtree containing T0136:L 72 (71) jump= 0.989761 -0.117793 -0.0140463 0.0793737 -3.12154 19.6663 9.01444 # jumping subtree containing T0136:M 12 (11) jump= 0.964434 0.0978106 -0.218168 0.112712 64.2153 11.0662 -49.119 # jumping subtree containing T0136:N 4 (3) jump= -0.061241 -0.658533 -0.700656 -0.267703 -37.0227 75.206 -79.0398 # generation 53: best score out of 40: T0136.try1-al10 60.9838 cost/residue, 159 clashes 0.0391448 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 89 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 290 ## OptSubtree 509 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.96472 0.260735 0.0363164 -0.00373494 17.4016 8.09782 -49.1637 # jumping subtree containing T0136:L 72 (71) jump= -0.631393 0.590633 -0.0577687 0.499158 -30.8107 177.69 20.6128 # jumping subtree containing T0136:Q 44 (43) jump= -0.257371 -0.024262 0.587955 -0.766473 151.533 111.893 52.1437 # jumping subtree containing T0136:G 42 (41) jump= 0.461107 -0.59337 0.0637719 -0.656678 2.51737 200.857 27.8827 # jumping subtree containing T0136:P 56 (55) jump= -0.875472 0.438673 0.116564 0.165914 -61.888 56.7602 57.0552 # generation 54: best score out of 40: T0136.try1-al10 60.9838 cost/residue, 159 clashes 0.0391448 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 91 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 294 ## OptSubtree 527 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= 0.450714 -0.140091 -0.0167559 -0.881448 4.70825 205.967 -8.36427 # jumping subtree containing T0136:K 43 (42) jump= 0.547857 0.785028 0.285523 0.0453917 -24.4554 115.538 -75.3128 # jumping subtree containing T0136:M 12 (11) jump= 0.335247 -0.160938 -0.683381 0.628251 30.6605 73.4852 80.0212 # jumping subtree containing T0136:Q 44 (43) jump= 0.987097 0.0377034 0.0521154 -0.146635 -31.3881 26.7924 -1.73229 # jumping subtree containing T0136:A 1 (0) jump= -0.984212 0.0825408 -0.113589 0.107756 -9.93831 29.4349 45.4296 # jumping subtree containing T0136:L 72 (71) jump= -0.580703 -0.356221 0.7063 -0.192435 131.825 36.8594 -102.916 # generation 55: best score out of 40: T0136.try1-al10 60.9837 cost/residue, 159 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 95 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 296 ## OptSubtree 545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.775043 -0.155962 0.194328 0.580708 -58.8278 131.539 -54.8338 # jumping subtree containing T0136:K 37 (36) jump= 0.665225 0.702142 0.0334109 0.251707 47.3376 100.479 -116.898 # jumping subtree containing T0136:V 35 (34) jump= -0.873662 -0.233326 0.239223 0.353618 -8.15248 75.1908 -58.2606 # jumping subtree containing T0136:L 72 (71) jump= -0.954782 0.104181 -0.270177 0.0673979 33.6018 32.775 83.9036 # jumping subtree containing T0136:T 71 (70) jump= -0.0584985 -0.324333 -0.629107 0.703996 -31.8504 106.562 98.949 # jumping subtree containing T0136:A 78 (77) jump= 0.617603 0.135784 0.681074 -0.369144 -25.7124 43.1672 77.2334 # generation 56: best score out of 40: T0136.try1-al10 60.9837 cost/residue, 159 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 97 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 296 ## OptSubtree 569 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.886103 0.26021 0.0352072 0.381932 116.705 -30.1408 -53.0907 # jumping subtree containing T0136:G 42 (41) jump= -0.691673 -0.395903 -0.594733 0.105555 19.3266 16.9932 13.1804 # jumping subtree containing T0136:F 73 (72) jump= -0.433631 0.384893 -0.429936 -0.692081 179.725 124.067 7.04439 # jumping subtree containing T0136:A 1 (0) jump= -0.287321 0.312526 0.894704 0.13885 26.0993 3.81917 -63.1302 # jumping subtree containing T0136:Q 44 (43) jump= 0.964734 -0.136005 0.164827 -0.153699 4.80947 49.5929 63.788 # jumping subtree containing T0136:G 42 (41) jump= -0.0380794 0.520797 -0.422094 -0.741051 122.144 219.803 -14.1629 # jumping subtree containing T0136:T 71 (70) jump= 0.813019 -0.229954 -0.124081 0.520313 137.39 14.9306 65.9351 # generation 57: best score out of 40: T0136.try1-al10 60.9837 cost/residue, 159 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 339 ## TwoFragment 6 ## CrossOver 104 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 297 ## OptSubtree 585 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.912547 0.350326 0.145661 -0.152685 16.1298 30.9443 30.6517 # jumping subtree containing T0136:L 72 (71) jump= 0.99172 -0.0666814 -0.0919904 0.0598619 0.0240622 -20.9379 9.87787 # generation 58: best score out of 40: T0136.try1-al10 60.9107 cost/residue, 158 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 109 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 299 ## OptSubtree 601 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.90938 0.353595 -0.218027 0.0214984 -2.82374 24.9144 -87.2817 # jumping subtree containing T0136:G 42 (41) jump= -0.21573 -0.429926 -0.722619 0.496433 4.80477 66.7021 59.672 # jumping subtree containing T0136:Q 22 (21) jump= -0.495721 0.304306 0.737552 -0.343039 30.7714 12.7435 26.9037 # jumping subtree containing T0136:G 42 (41) jump= -0.427997 -0.34087 0.618644 0.563831 64.6075 163.458 -179.018 # jumping subtree containing T0136:T 71 (70) jump= 0.421898 -0.578541 -0.364439 0.59538 47.7182 82.7394 97.0611 # generation 59: best score out of 40: T0136.try1-al10 60.9107 cost/residue, 158 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 113 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 301 ## OptSubtree 619 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.434855 0.288516 0.730652 -0.440236 116.161 -5.94278 24.7675 # jumping subtree containing T0136:L 19 (18) jump= 0.0560203 -0.640656 -0.734494 0.216658 -27.8521 56.4131 -12.182 # jumping subtree containing T0136:G 42 (41) jump= 0.453494 0.120554 0.0509244 0.881599 182.84 129.493 -32.7066 # jumping subtree containing T0136:G 42 (41) jump= 0.373106 0.190181 0.625403 -0.658403 3.88716 99.9676 104.454 # generation 60: best score out of 40: T0136.try1-al10 60.9107 cost/residue, 158 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 114 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 311 ## OptSubtree 641 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.53819 -0.0529679 -0.817313 0.198862 93.8427 11.089 -17.4022 # jumping subtree containing T0136:S 58 (57) jump= -0.895051 0.117785 -0.415819 -0.110024 63.9067 -5.95021 74.1298 # jumping subtree containing T0136:S 58 (57) jump= 0.896658 -0.0869694 0.295669 -0.317836 -12.8789 53.896 61.1236 # jumping subtree containing T0136:L 72 (71) jump= -0.605205 -0.633342 0.278212 -0.393959 110.957 84.2759 -162.169 # jumping subtree containing T0136:T 71 (70) jump= 0.874602 -0.0875403 0.273132 -0.390905 -5.37451 75.3768 22.0448 # jumping subtree containing T0136:M 12 (11) jump= 0.771593 0.0577419 0.472555 0.421903 157.264 -17.0508 -10.0974 # jumping subtree containing T0136:G 42 (41) jump= 0.742243 -0.587601 -0.00202152 -0.322175 -19.6938 159.912 84.4019 # generation 61: best score out of 40: T0136.try1-al10 60.9107 cost/residue, 158 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 118 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 318 ## OptSubtree 663 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.922091 -0.146943 -0.0266731 -0.356992 -23.8855 73.727 0.415138 # jumping subtree containing T0136:G 42 (41) jump= -0.63081 0.7721 0.0381985 0.066939 -19.0273 190.687 72.4501 # jumping subtree containing T0136:E 27 (26) jump= -0.53233 -0.338403 -0.745615 -0.214862 95.2565 -10.6965 -67.4759 # jumping subtree containing T0136:T 11 (10) jump= 0.490099 0.54654 0.237769 -0.636053 -10.9607 106.686 23.9556 # jumping subtree containing T0136:S 58 (57) jump= 0.828002 0.158029 0.494262 -0.212471 -0.119718 5.70772 76.3986 # jumping subtree containing T0136:T 11 (10) jump= -0.217471 0.704903 -0.319087 -0.59498 95.2576 216.299 -5.04596 # jumping subtree containing T0136:Q 44 (43) jump= 0.842841 -0.437048 0.227192 0.216774 60.4445 63.4985 83.2207 # generation 62: best score out of 40: T0136.try1-al10 60.9107 cost/residue, 158 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 124 ## CrossAndInsert 37 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 319 ## OptSubtree 682 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.0129062 0.666947 -0.667863 0.330112 219.991 185.748 -108.243 # jumping subtree containing T0136:K 37 (36) jump= 0.67518 -0.270785 -0.0517813 0.684198 151.316 68.1974 92.6378 # jumping subtree containing T0136:M 12 (11) jump= -0.367253 0.671926 0.61362 0.192642 -71.8072 90.903 -44.6908 # jumping subtree containing T0136:L 72 (71) jump= 0.468616 -0.322401 0.632465 0.52578 235.234 76.3754 74.6132 # jumping subtree containing T0136:T 11 (10) jump= 0.958182 -0.000504772 -0.251049 -0.137338 -19.7626 4.66758 -24.8865 # jumping subtree containing T0136:M 12 (11) jump= -0.990753 0.0255807 0.106036 -0.0806856 -3.27254 -16.5043 -16.8841 # jumping subtree containing T0136:L 72 (71) jump= 0.0921896 -0.63728 0.154754 0.749284 116.382 237.555 69.0584 # jumping subtree containing T0136:S 58 (57) jump= 0.852997 0.394151 -0.341939 -0.0108794 59.3781 38.6934 -101.93 # generation 63: best score out of 40: T0136.try1-al10 60.8578 cost/residue, 154 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 340 ## TwoFragment 6 ## CrossOver 128 ## CrossAndInsert 37 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 319 ## OptSubtree 701 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 58 (57) jump= 0.99288 0.0632482 0.0717244 -0.0710212 -31.2745 0.270847 -27.6245 # jumping subtree containing T0136:L 72 (71) jump= -0.953048 -0.10473 -0.117043 -0.258905 66.2368 -14.79 -6.75378 # jumping subtree containing T0136:L 72 (71) jump= -0.821877 -0.16526 -0.518053 -0.169789 81.0124 -25.1856 16.8853 # jumping subtree containing T0136:A 1 (0) jump= -0.664839 -0.106866 0.322216 -0.665391 187.047 74.2647 -12.1909 # jumping subtree containing T0136:L 72 (71) jump= -0.33213 -0.122412 -0.163704 -0.920818 212.332 145.54 -73.379 # jumping subtree containing T0136:T 11 (10) jump= -0.963327 0.202275 0.175075 -0.0208573 3.11041 -6.47739 30.8052 # jumping subtree containing T0136:S 58 (57) jump= -0.347722 -0.0820109 -0.828763 -0.430716 176.834 38.9447 -78.6918 # jumping subtree containing T0136:A 1 (0) jump= -0.160771 -0.192645 -0.896791 -0.364426 73.2663 5.64994 -69.3305 # jumping subtree containing T0136:L 72 (71) jump= -0.999999 0.000215845 -0.00121555 -0.000806648 22.7599 4.44258 -9.67921 # jumping subtree containing T0136:S 58 (57) jump= -0.941734 -0.076877 -0.304003 -0.121693 45.7466 -21.7631 -6.37246 # jumping subtree containing T0136:Q 44 (43) jump= 0.474524 0.600461 0.636887 -0.0930005 -83.1545 43.1012 -24.794 # jumping subtree containing T0136:L 72 (71) jump= -0.930703 0.322815 -0.125187 0.117946 -5.89864 76.752 86.3352 # generation 64: best score out of 40: T0136.try1-al10 60.8578 cost/residue, 154 clashes 0.039145 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 131 ## CrossAndInsert 37 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 320 ## OptSubtree 723 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 44 (43) jump= -0.779404 -0.229696 -0.554436 0.179916 -17.8486 3.88716 3.44986 # jumping subtree containing T0136:T 11 (10) jump= -0.953553 -0.155347 -0.124643 0.225982 -38.4236 1.15363 -29.6518 # jumping subtree containing T0136:L 72 (71) jump= -0.918042 -0.0857173 0.178526 -0.343481 89.7146 -5.97033 -54.3429 # jumping subtree containing T0136:Q 44 (43) jump= -0.555218 -0.406662 -0.108712 0.717315 -51.9924 196.246 -13.926 # jumping subtree containing T0136:L 72 (71) jump= -0.31043 -0.196658 -0.661827 -0.653409 94.7825 57.7631 -99.3405 # jumping subtree containing T0136:L 72 (71) jump= -0.265664 0.935064 0.234601 0.00633534 -25.5305 176.16 60.4206 # jumping subtree containing T0136:M 12 (11) jump= 0.216949 0.704766 0.196235 0.646321 36.3156 155.893 -96.9684 # jumping subtree containing T0136:L 72 (71) jump= -0.933519 0.023748 -0.291753 0.207021 -20.5656 24.3993 73.5589 # jumping subtree containing T0136:M 12 (11) jump= 0.534442 0.763193 0.129439 -0.339342 -54.7792 114.678 -116.328 # jumping subtree containing T0136:T 71 (70) jump= -0.999188 -0.0257474 -0.0260097 -0.0168579 17.4116 -3.20005 7.42794 # jumping subtree containing T0136:Q 44 (43) jump= 0.58257 0.640324 -0.0496353 0.49813 110.756 137.824 -134.548 # generation 65: best score out of 40: T0136.try1-al10 60.8577 cost/residue, 154 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 341 ## TwoFragment 6 ## CrossOver 132 ## CrossAndInsert 37 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 326 ## OptSubtree 749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.463243 0.666136 0.558344 0.172974 -72.8932 60.7533 6.32968 # jumping subtree containing T0136:L 72 (71) jump= -0.469192 -0.61298 -0.535309 0.342868 -62.1578 105.362 53.5755 # jumping subtree containing T0136:T 11 (10) jump= 0.414131 0.161546 -0.625142 0.641558 134.461 64.9847 20.3115 # jumping subtree containing T0136:L 72 (71) jump= -0.174013 0.418774 0.352647 -0.818528 104.642 169.544 124.882 # jumping subtree containing T0136:L 72 (71) jump= -0.817561 0.232623 -0.124426 -0.511857 162.489 41.9214 81.7591 # jumping subtree containing T0136:L 72 (71) jump= -0.500059 0.231809 0.8333 -0.0426282 59.1324 -20.913 0.733099 # jumping subtree containing T0136:G 14 (13) jump= 0.26991 -0.560779 0.135013 -0.771004 23.9138 224.286 15.8551 # generation 66: best score out of 40: T0136.try1-al10 60.7074 cost/residue, 157 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 342 ## TwoFragment 6 ## CrossOver 136 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 326 ## OptSubtree 767 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.536238 -0.75573 0.0910737 0.364727 -21.9146 209.689 -105.513 # jumping subtree containing T0136:A 1 (0) jump= 0.756062 -0.536957 -0.373988 -0.0134472 -35.7512 52.4248 65.3764 # jumping subtree containing T0136:M 12 (11) jump= 0.65541 0.478059 0.172648 0.55865 122.127 64.4218 -99.8974 # jumping subtree containing T0136:A 1 (0) jump= 0.938681 -0.00341256 -0.225627 0.260688 74.8318 -24.0719 -8.37612 # generation 67: best score out of 40: T0136.try1-al10 60.7074 cost/residue, 157 clashes 0.0391449 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 342 ## TwoFragment 6 ## CrossOver 137 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 332 ## OptSubtree 790 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= 0.779188 -0.305487 0.0479944 -0.545197 -86.4712 131.893 62.9187 # jumping subtree containing T0136:L 72 (71) jump= 0.598362 -0.394286 -0.596541 -0.361442 -35.9238 75.3271 -58.7946 # jumping subtree containing T0136:Q 44 (43) jump= -0.238279 -0.056362 0.557183 0.793469 48.3663 154.07 -124.862 # jumping subtree containing T0136:Q 44 (43) jump= 0.991653 -0.113336 -0.0373525 -0.0488232 -3.19061 11.9488 19.4226 # jumping subtree containing T0136:L 72 (71) jump= -0.970317 0.0672805 0.184086 -0.141671 66.3425 -20.9373 -18.2072 # jumping subtree containing T0136:V 80 (79) jump= 0.983474 -0.166732 -0.0466043 -0.0529776 -32.1912 7.52877 11.7456 # jumping subtree containing T0136:S 58 (57) jump= 0.977046 -0.12516 0.127944 -0.115527 -12.0867 26.5819 65.7816 # jumping subtree containing T0136:A 1 (0) jump= 0.800116 0.481002 -0.207499 -0.292225 -33.2312 103.444 -93.6526 # generation 68: best score out of 40: T0136.try1-al10 60.655 cost/residue, 167 clashes 0.0327167 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 343 ## TwoFragment 6 ## CrossOver 139 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 334 ## OptSubtree 817 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.0230078 -0.531525 -0.827221 0.180715 8.37977 10.911 62.2837 # jumping subtree containing T0136:G 42 (41) jump= 0.892401 0.209752 0.106794 0.384993 68.3803 16.1916 -71.6483 # jumping subtree containing T0136:S 58 (57) jump= -0.125731 0.206788 -0.625947 -0.741364 137.635 126.358 -73.9063 # jumping subtree containing T0136:V 79 (78) jump= -0.562345 0.639647 0.016049 0.523795 -33.7784 184.594 33.3399 # jumping subtree containing T0136:F 59 (58) jump= 0.893871 -0.382366 0.0677213 0.224066 30.8455 14.61 98.3808 # jumping subtree containing T0136:Q 44 (43) jump= 0.565877 -0.0548323 -0.812979 0.125865 61.9951 13.4023 -12.3241 # jumping subtree containing T0136:T 71 (70) jump= 0.943636 -0.151433 -0.151528 0.252306 51.9325 -20.2003 33.1324 # jumping subtree containing T0136:G 42 (41) jump= -0.636535 0.530516 -0.0958843 0.551527 -62.9228 166.847 89.4946 # generation 69: best score out of 40: T0136.try1-al10 60.6548 cost/residue, 167 clashes 0.0327168 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 343 ## TwoFragment 6 ## CrossOver 140 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 338 ## OptSubtree 836 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.811443 0.0187621 -0.0614515 0.580888 -76.2441 124.574 2.27083 # jumping subtree containing T0136:L 72 (71) jump= 0.824817 -0.0103127 0.303748 0.476768 145.807 25.0381 20.7268 # jumping subtree containing T0136:G 42 (41) jump= -0.332279 0.839973 0.355153 0.24063 -70.2392 182.141 15.5439 # jumping subtree containing T0136:S 58 (57) jump= 0.895834 0.277469 -0.190519 -0.290163 -57.6969 64.7421 -83.9971 # jumping subtree containing T0136:E 36 (35) jump= -0.991482 0.101506 0.0434535 0.069074 -0.445457 28.8485 31.3672 # generation 70: best score out of 40: T0136.try1-al10 60.3681 cost/residue, 162 clashes 0.0327164 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 343 ## TwoFragment 6 ## CrossOver 145 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 344 ## OptSubtree 857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.202417 -0.699549 0.274553 -0.627916 82.6897 264.197 22.514 # jumping subtree containing T0136:T 11 (10) jump= 0.830395 0.373593 -0.389096 0.139561 56.0807 4.35339 -78.2481 # jumping subtree containing T0136:L 72 (71) jump= -0.865998 -0.0739948 -0.171866 -0.463718 122.455 -24.2264 -7.01787 # jumping subtree containing T0136:L 72 (71) jump= 0.988697 0.0273763 0.115696 0.09134 39.8433 -26.671 -5.98351 # jumping subtree containing T0136:L 72 (71) jump= 0.908236 -0.111144 0.378847 -0.138671 -15.3984 36.2825 90.4459 # jumping subtree containing T0136:M 12 (11) jump= -0.166563 0.349271 -0.827873 -0.40607 176.064 75.5079 -17.7338 # jumping subtree containing T0136:L 72 (71) jump= -0.264769 0.654423 -0.705507 -0.0623568 182.146 154.183 18.0077 # jumping subtree containing T0136:A 1 (0) jump= -0.837063 0.154233 0.43488 -0.293969 57.8385 8.01132 38.9614 # jumping subtree containing T0136:D 60 (59) jump= -0.45795 0.573834 -0.242589 -0.634151 189.343 159.504 80.2209 # generation 71: best score out of 40: T0136.try1-al10 60.3681 cost/residue, 162 clashes 0.0327164 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 150 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 347 ## OptSubtree 879 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.845674 0.42288 0.296709 0.134059 -35.9146 69.8125 48.9117 # jumping subtree containing T0136:Q 44 (43) jump= 0.459731 0.497785 -0.687828 -0.260288 113.2 129.597 -97.6091 # jumping subtree containing T0136:L 72 (71) jump= -0.95743 -0.245496 0.0484953 0.143904 -47.6381 38.1502 -40.7493 # jumping subtree containing T0136:A 1 (0) jump= 0.999914 0.00722321 0.0100614 -0.00435189 25.3737 1.52192 -12.2037 # jumping subtree containing T0136:K 67 (66) jump= 0.00279658 -0.729074 -0.679137 -0.0849434 -35.4952 60.5687 -36.3613 # jumping subtree containing T0136:Q 41 (40) jump= -0.606629 0.346181 -0.127404 0.704222 -49.388 213.446 82.1445 # jumping subtree containing T0136:L 72 (71) jump= 0.672002 -0.550946 -0.491302 0.0591087 -26.5302 28.1961 50.8781 # jumping subtree containing T0136:L 72 (71) jump= -0.979515 0.101214 -0.0923985 -0.147545 28.6455 -23.1986 42.9841 # jumping subtree containing T0136:M 12 (11) jump= 0.399658 -0.573985 0.580328 -0.417175 70.9816 175.86 145.455 # generation 72: best score out of 40: T0136.try1-al10 60.368 cost/residue, 162 clashes 0.0327162 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 151 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 353 ## OptSubtree 901 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.0793477 -0.834512 -0.336015 0.429404 -42.5441 203.054 76.0405 # jumping subtree containing T0136:M 12 (11) jump= -0.329551 -0.160403 0.600097 -0.711021 200.654 131.093 86.2407 # jumping subtree containing T0136:M 12 (11) jump= 0.775103 -0.405005 0.431474 -0.221399 -14.2923 102.839 147.277 # jumping subtree containing T0136:Q 44 (43) jump= -0.669668 -0.0404497 0.103457 -0.734306 175.963 85.5635 22.6253 # jumping subtree containing T0136:L 72 (71) jump= -0.191729 -0.082021 -0.852993 0.478452 83.3927 72.5449 105.963 # jumping subtree containing T0136:F 73 (72) jump= 0.423909 0.00312531 -0.617495 0.662564 176 72.6127 39.2799 # jumping subtree containing T0136:M 12 (11) jump= 0.991771 0.0231018 0.0628227 -0.109131 -21.2496 5.00421 -22.9079 # generation 73: best score out of 40: T0136.try1-al10 60.368 cost/residue, 162 clashes 0.0327162 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 151 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 355 ## OptSubtree 930 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 58 (57) jump= -0.993276 0.0494819 -0.00132476 -0.104657 37.3796 0.507466 33.7826 # jumping subtree containing T0136:L 72 (71) jump= 0.117467 0.672659 0.706089 -0.187535 -29.3209 75.2155 87.5834 # jumping subtree containing T0136:L 72 (71) jump= 0.498796 0.774659 -0.0462996 -0.385956 -31.9553 267.319 -78.7424 # jumping subtree containing T0136:L 72 (71) jump= 0.865532 0.279986 0.231565 -0.344732 -67.2572 108.896 24.6074 # jumping subtree containing T0136:A 1 (0) jump= -0.818994 -0.0721492 0.453461 -0.344119 152.587 9.71289 -10.9154 # jumping subtree containing T0136:L 72 (71) jump= 0.342389 -0.593891 0.115807 -0.718785 33.7746 222.374 32.1495 # jumping subtree containing T0136:L 72 (71) jump= -0.461037 -0.17734 -0.0779603 0.865978 5.57516 268.099 21.9747 # generation 74: best score out of 40: T0136.try1-al10 60.368 cost/residue, 162 clashes 0.0327162 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 152 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 355 ## OptSubtree 959 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= 0.785038 -0.510093 0.345536 -0.0642343 39.6281 113.094 141.859 # jumping subtree containing T0136:G 42 (41) jump= 0.699324 0.525653 0.455378 0.165125 -3.55024 77.5326 -81.409 # jumping subtree containing T0136:G 42 (41) jump= 0.717257 0.287498 -0.453651 0.443946 170.707 74.6226 -30.6887 # jumping subtree containing T0136:L 72 (71) jump= -0.99455 0.0667016 0.00701629 -0.0798253 11.4861 -23.6071 37.4987 # generation 75: best score out of 40: T0136.try1-al10 60.368 cost/residue, 162 clashes 0.0327162 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 345 ## TwoFragment 6 ## CrossOver 157 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 355 ## OptSubtree 978 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.883517 0.299409 -0.356199 -0.0536065 24.9922 3.3692 132.076 # jumping subtree containing T0136:L 72 (71) jump= -0.946771 0.000265318 -0.0533301 -0.317459 71.2365 -6.41399 -1.6109 # jumping subtree containing T0136:L 72 (71) jump= -0.279863 0.773979 -0.0711079 -0.563539 133.73 179.954 154.623 # generation 76: best score out of 40: T0136.try1-al10 60.3514 cost/residue, 159 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 346 ## TwoFragment 6 ## CrossOver 160 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 355 ## OptSubtree 998 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 71 (70) jump= -0.507659 -0.640552 -0.404245 0.410563 -66.3147 158.82 73.9348 # jumping subtree containing T0136:L 72 (71) jump= -0.708036 0.283128 -0.399078 -0.509177 158.967 29.9411 82.1587 # jumping subtree containing T0136:G 14 (13) jump= -0.932012 -0.222479 -0.250623 0.138003 -63.3099 17.9937 -0.261662 # jumping subtree containing T0136:M 12 (11) jump= -0.81637 0.22218 0.350327 -0.401804 93.6128 29.46 91.9184 # jumping subtree containing T0136:T 11 (10) jump= 0.301945 0.180548 0.925807 -0.138252 27.8118 -4.49307 85.1723 # jumping subtree containing T0136:A 1 (0) jump= -0.545786 0.811376 -0.198538 0.0660917 7.69621 198.752 147.628 # jumping subtree containing T0136:L 72 (71) jump= -0.394828 -0.538614 0.0420688 0.743126 22.171 240.784 25.5033 # jumping subtree containing T0136:Q 44 (43) jump= -0.281941 -0.529457 0.77382 -0.203436 199.076 137.698 24.3395 # jumping subtree containing T0136:L 72 (71) jump= 0.141289 0.949321 0.266219 -0.0891859 -22.016 175.233 54.0967 # generation 77: best score out of 40: T0136.try1-al10 60.3514 cost/residue, 159 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 346 ## TwoFragment 6 ## CrossOver 166 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 360 ## OptSubtree 1011 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.986196 0.100141 -0.0373805 -0.126456 31.6146 1.33457 56.2496 # jumping subtree containing T0136:K 67 (66) jump= -0.992253 0.00838602 0.095319 -0.0792311 45.669 -4.03421 -20.0498 # jumping subtree containing T0136:L 72 (71) jump= 0.847064 -0.348872 0.0589043 -0.396613 -39.7001 112.147 65.4257 # jumping subtree containing T0136:A 1 (0) jump= -0.843962 -0.326062 0.180374 0.385847 -63.3414 133.002 -112.956 # jumping subtree containing T0136:A 1 (0) jump= 0.993757 0.0517499 -0.0826883 -0.054143 15.4311 4.33395 -27.5333 # Removing break before 41 # jumping subtree containing T0136:M 12 (11) jump= 0.236371 -0.152625 0.321534 0.904129 162.75 193.445 -51.2707 # jumping subtree containing T0136:L 72 (71) jump= -0.632925 0.107825 0.367469 0.672865 -31.334 156.085 -61.5652 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= -0.527419 0.0399832 -0.624093 0.575099 32.762 127.916 160.403 # generation 78: best score out of 40: T0136.try1-al10 60.3462 cost/residue, 158 clashes 0.0327164 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 347 ## TwoFragment 6 ## CrossOver 167 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 365 ## OptSubtree 1038 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.0153235 -0.230034 -0.872178 -0.431457 93.714 3.12058 -117.719 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= 0.990266 -0.0264959 0.0295405 0.133412 18.8194 -0.904802 28.3562 # jumping subtree containing T0136:L 72 (71) jump= 0.999462 0.0300858 -0.0107206 0.00741842 -2.32641 21.1823 -19.5756 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= 0.396619 -0.815222 0.189015 0.377334 146.433 204.756 180.679 # jumping subtree containing T0136:L 72 (71) jump= 0.994175 0.0235174 0.0923263 0.0503943 -3.511 -3.34505 29.5567 # generation 79: best score out of 40: T0136.try1-al10 60.1993 cost/residue, 147 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 169 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 368 ## OptSubtree 1059 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:K 67 (66) jump= -0.029244 0.994503 0.087909 0.0487958 -13.6705 284.508 65.0688 # jumping subtree containing T0136:L 72 (71) jump= 0.621685 -0.615739 -0.0304678 0.483162 97.4951 82.9302 164.09 # Removing break before 41 # jumping subtree containing T0136:K 67 (66) jump= -0.988016 0.146067 0.0229206 -0.0443104 -7.81191 -23.5581 31.8386 # jumping subtree containing T0136:L 72 (71) jump= 0.645699 0.474982 -0.481364 0.354617 212.499 87.8545 -131.244 # jumping subtree containing T0136:K 67 (66) jump= 0.824167 -0.0660181 0.349118 -0.44103 -25.0106 108.149 88.5988 # jumping subtree containing T0136:A 1 (0) jump= 0.639643 -0.5955 -0.315841 -0.369433 -71.6096 127.11 15.4807 # Removing break before 41 # generation 80: best score out of 40: T0136.try1-al10 60.1993 cost/residue, 147 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 171 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 372 ## OptSubtree 1082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.477118 -0.0135956 -0.102377 -0.87275 11.0565 219.459 -24.247 # jumping subtree containing T0136:T 71 (70) jump= 0.999264 0.0331487 -0.0140875 0.0132272 -17.423 15.2098 -23.8016 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= -0.0825487 0.676654 0.156455 0.714735 -17.3043 235.718 -27.4833 # jumping subtree containing T0136:L 72 (71) jump= 0.817041 -0.115642 0.15863 -0.542132 -94.7117 139.29 58.1915 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= -0.969503 -0.174326 0.0889007 -0.147549 55.3966 0.602306 -37.9413 # jumping subtree containing T0136:S 58 (57) jump= 0.67659 -0.613111 0.399826 -0.0803743 50.6681 130.141 183.517 # jumping subtree containing T0136:E 27 (26) jump= 0.930718 -0.141206 0.326553 0.0847797 60.9744 0.901456 114.291 # jumping subtree containing T0136:A 1 (0) jump= 0.815697 0.144233 -0.55981 0.0211542 65.9333 8.53527 -92.3409 # jumping subtree containing T0136:L 72 (71) jump= -0.329942 -0.489212 0.106902 0.800239 84.558 299.357 20.1937 # jumping subtree containing T0136:T 71 (70) jump= -0.0900446 0.442356 0.8714 -0.192029 22.5462 -11.9677 130.879 # jumping subtree containing T0136:R 15 (14) jump= -0.869799 -0.06751 0.487424 -0.036206 80.4634 32.3833 -73.3555 # generation 81: best score out of 40: T0136.try1-al10 60.1669 cost/residue, 146 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 173 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 375 ## OptSubtree 1111 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.999686 -0.0242665 -0.00627352 -0.000520223 20.8726 0.00601864 -11.0673 # jumping subtree containing T0136:G 42 (41) jump= 0.445387 0.216278 0.0479821 -0.867498 22.7699 336.556 33.0719 # Removing break before 41 # jumping subtree containing T0136:M 12 (11) jump= -0.974295 0.134264 -0.045615 0.175046 -59.3314 33.9315 62.3173 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.847984 -0.426996 0.107709 -0.294951 -76.237 123.121 104.064 # jumping subtree containing T0136:L 72 (71) jump= -0.0516879 -0.67916 -0.732135 0.00690859 -72.1983 46.8544 65.7861 # jumping subtree containing T0136:L 53 (52) jump= -0.361987 0.73736 0.530081 0.21043 -84.727 89.9299 41.4414 # jumping subtree containing T0136:R 15 (14) jump= 0.962678 -0.0347275 0.0397376 0.265455 63.8661 -25.9784 1.53584 # generation 82: best score out of 40: T0136.try1-al10 60.1669 cost/residue, 146 clashes 0.0327163 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 348 ## TwoFragment 6 ## CrossOver 178 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 381 ## OptSubtree 1128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= 0.654109 0.0721768 0.177215 0.731797 206.957 55.22 -17.4252 # jumping subtree containing T0136:L 72 (71) jump= 0.330174 0.559176 0.758279 -0.0576254 -12.6164 24.8224 58.6876 # jumping subtree containing T0136:L 72 (71) jump= 0.886882 0.176593 -0.423755 0.0518364 101.657 27.4934 -54.4564 # jumping subtree containing T0136:R 15 (14) jump= -0.373601 -0.366544 -0.683193 0.50923 3.23556 128.617 148.917 # jumping subtree containing T0136:L 72 (71) jump= -0.624655 0.678655 0.0888606 -0.375948 78.6958 85.2735 201.103 # Removing break before 41 # generation 83: best score out of 40: T0136.try1-al10 59.914 cost/residue, 143 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 350 ## TwoFragment 6 ## CrossOver 181 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 381 ## OptSubtree 1156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:R 15 (14) jump= 0.694856 -0.507073 0.307305 0.406959 177.539 77.7652 125.773 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= 0.523015 0.250624 -0.192902 0.791474 208.553 136.158 -40.5454 # jumping subtree containing T0136:K 67 (66) jump= -0.935504 -0.246562 0.252754 -0.0124357 56.0526 53.0574 -88.1494 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= -0.917136 -0.398241 0.0118644 0.0111937 0.169112 84.4155 -109.076 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= 0.440939 -0.681789 0.293899 -0.50434 11.4322 239.032 142.399 # jumping subtree containing T0136:G 42 (41) jump= 0.0229386 -0.180887 0.900427 0.394949 201.873 65.0002 -60.9764 # generation 84: best score out of 40: T0136.try1-al10 59.914 cost/residue, 143 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 351 ## TwoFragment 6 ## CrossOver 183 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 381 ## OptSubtree 1186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.783145 0.153995 -0.0824084 0.596806 212.355 23.3623 -75.0719 # jumping subtree containing T0136:L 72 (71) jump= 0.988205 0.0263047 -0.140615 0.0546404 32.9186 -12.0414 -20.9366 # jumping subtree containing T0136:S 58 (57) jump= 0.683364 -0.580523 0.439642 0.0521654 92.0695 114.785 170.159 # jumping subtree containing T0136:L 72 (71) jump= 0.60374 0.330423 0.143025 -0.71124 -31.0729 240.958 36.5022 # jumping subtree containing T0136:V 25 (24) jump= -0.999983 -0.00440449 -0.00175076 -0.00336146 6.05518 -13.4786 -10.5999 # jumping subtree containing T0136:L 72 (71) jump= 0.997988 0.0173659 -0.0174731 0.0584147 13.7584 -24.3732 -17.1097 # Removing break before 41 # jumping subtree containing T0136:R 15 (14) jump= -0.606417 0.396155 -0.533534 -0.436648 205.875 56.9188 115.792 # generation 85: best score out of 40: T0136.try1-al10 59.914 cost/residue, 143 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 351 ## TwoFragment 6 ## CrossOver 185 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 383 ## OptSubtree 1214 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 15 (14) jump= 0.82706 -0.50254 0.250785 -0.0230632 21.8811 88.2097 163.768 # jumping subtree containing T0136:Q 38 (37) jump= 0.318016 0.151767 0.839981 0.412632 119.418 -12.713 -45.4205 # jumping subtree containing T0136:L 72 (71) jump= 0.933176 0.0610444 0.320712 0.150334 47.8231 -12.4418 32.2973 # jumping subtree containing T0136:L 72 (71) jump= 0.949497 -0.21659 -0.00139063 0.227031 89.6792 -25.8996 72.2187 # jumping subtree containing T0136:R 15 (14) jump= 0.488775 -0.77172 -0.239404 -0.328988 -74.3329 185.823 27.3273 # jumping subtree containing T0136:G 42 (41) jump= 0.902014 -0.0384272 -0.268123 -0.336161 -67.7666 65.3195 -71.0881 # generation 86: best score out of 40: T0136.try1-al10 59.914 cost/residue, 143 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 351 ## TwoFragment 6 ## CrossOver 189 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 384 ## OptSubtree 1233 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.0806006 0.816291 0.195265 -0.537628 12.1705 265.256 115.455 # jumping subtree containing T0136:L 72 (71) jump= -0.452537 0.0639968 -0.247921 0.854196 -6.78985 250.829 53.991 # jumping subtree containing T0136:G 42 (41) jump= 0.971199 -0.106574 -0.191293 0.0939258 37.7405 -28.2315 2.0432 # jumping subtree containing T0136:G 42 (41) jump= 0.0536265 0.447121 0.634063 -0.628627 72.4301 139.186 199.927 # jumping subtree containing T0136:L 72 (71) jump= 0.86529 -0.192203 -0.348924 0.304273 98.2417 -20.4366 69.0127 # jumping subtree containing T0136:L 72 (71) jump= -0.19094 0.903275 -0.334457 0.189142 83.0695 232.524 107.631 # jumping subtree containing T0136:G 42 (41) jump= 0.193196 0.0664838 0.677133 0.706927 204.321 99.7986 -97.422 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= 0.439423 -0.179286 -0.277042 0.835471 203.495 168.139 97.2928 # generation 87: best score out of 40: T0136.try1-al10 59.914 cost/residue, 143 clashes 0.0327164 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 351 ## TwoFragment 6 ## CrossOver 192 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 384 ## OptSubtree 1254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.999826 -0.00933006 -0.0158503 -0.00324143 16.2143 10.2183 12.023 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= -0.626667 0.479832 0.0577325 0.611323 -86.9476 213.275 55.0348 # jumping subtree containing T0136:G 42 (41) jump= 0.231787 -0.759898 0.604716 -0.0561031 185.416 237.283 108.521 # Removing break before 41 # generation 88: best score out of 40: T0136.try1-al10 59.5377 cost/residue, 140 clashes 0.0327165 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 351 ## TwoFragment 6 ## CrossOver 194 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 385 ## OptSubtree 1277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.994611 0.0965435 0.0100742 -0.0364187 18.8424 -9.98244 22.3927 # jumping subtree containing T0136:L 72 (71) jump= 0.582529 -0.200794 0.597482 0.513184 179.868 28.9651 43.2401 # jumping subtree containing T0136:L 72 (71) jump= -0.881305 0.447172 -0.150061 -0.0286499 13.434 45.964 149.07 # jumping subtree containing T0136:M 12 (11) jump= 0.334972 0.233964 -0.564312 0.717361 251.156 154.023 59.0901 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= -0.522517 -0.632319 -0.35845 0.445715 -117.484 206.518 29.6966 # jumping subtree containing T0136:L 72 (71) jump= -0.97571 -0.0383 -0.116616 0.181451 -35.2159 28.1651 30.2979 # jumping subtree containing T0136:T 11 (10) jump= -0.374519 -0.376209 -0.69312 -0.487634 93.2909 45.902 -124.737 # jumping subtree containing T0136:K 67 (66) jump= -0.799305 0.285961 -0.113122 0.516277 -78.8596 143.226 68.5269 # jumping subtree containing T0136:G 42 (41) jump= -0.793323 -0.534534 0.269726 0.110268 57.7998 175.851 -143.802 # jumping subtree containing T0136:L 72 (71) jump= -0.438374 -0.222944 -0.629147 -0.601911 102.08 50.7115 -106.556 # jumping subtree containing T0136:L 72 (71) jump= 0.851815 0.466402 -0.210291 0.112506 59.0797 75.1528 -85.7724 # generation 89: best score out of 40: T0136.try1-al10 59.5377 cost/residue, 140 clashes 0.0327164 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 353 ## TwoFragment 6 ## CrossOver 197 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 385 ## OptSubtree 1305 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:M 12 (11) jump= -0.598464 -0.288014 0.727757 0.171052 153.056 100.906 -139.483 # jumping subtree containing T0136:T 11 (10) jump= 0.917511 0.0790898 -0.384044 -0.0665459 31.4818 4.03706 -97.0063 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= -0.183381 0.823813 -0.481246 0.236866 125.195 303.037 118.866 # jumping subtree containing T0136:M 12 (11) jump= -0.220076 0.373598 0.767089 0.472826 30.7761 75.1524 -131.203 # Removing break before 41 # jumping subtree containing T0136:K 67 (66) jump= 0.494219 -0.623264 -0.60225 0.0677052 -41.0055 61.6629 101.89 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= 0.8847 0.322181 -0.069552 0.329648 122.991 39.7275 -74.7359 # generation 90: best score out of 40: T0136.try1-al10 59.3194 cost/residue, 144 clashes 0.0190479 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 355 ## TwoFragment 6 ## CrossOver 200 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 386 ## OptSubtree 1327 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 71 (70) jump= -0.905584 -0.377891 -0.165455 -0.0986986 -19.7714 20.1966 -65.9836 # jumping subtree containing T0136:M 12 (11) jump= -0.520857 0.101641 -0.80893 0.253003 96.4691 83.0432 167.922 # jumping subtree containing T0136:A 1 (0) jump= -0.889888 0.454601 0.0373903 0.00617076 -9.70347 64.4191 136.643 # jumping subtree containing T0136:K 67 (66) jump= 0.665623 0.333613 -0.155757 0.649145 180.149 108.011 -53.223 # jumping subtree containing T0136:L 72 (71) jump= -0.605282 -0.710107 -0.311028 0.180675 -61.964 150.543 -21.8278 # jumping subtree containing T0136:S 58 (57) jump= -0.0903399 0.145862 0.712731 -0.68013 104.862 124.941 181.818 # generation 91: best score out of 40: T0136.try1-al10 59.3194 cost/residue, 144 clashes 0.0190475 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 355 ## TwoFragment 6 ## CrossOver 201 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 394 ## OptSubtree 1352 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.909453 0.15848 -0.137684 0.358918 -103.534 80.7826 46.5525 # jumping subtree containing T0136:S 58 (57) jump= 0.754583 0.15594 -0.616409 0.162255 165.224 3.70109 -66.4649 # jumping subtree containing T0136:T 71 (70) jump= 0.695112 0.129666 -0.377923 0.597646 201.371 63.1581 -23.3818 # jumping subtree containing T0136:K 67 (66) jump= 0.900382 0.130671 -0.253483 -0.32861 -55.9829 102.091 -70.0188 # jumping subtree containing T0136:L 72 (71) jump= 0.574066 -0.689335 0.115076 0.426642 149.936 112.772 161.891 # Removing break before 41 # jumping subtree containing T0136:L 53 (52) jump= 0.761666 0.0972265 -0.310049 0.560608 205.866 34.4411 1.42055 # jumping subtree containing T0136:L 72 (71) jump= 0.981301 -0.0120606 0.0931473 -0.168008 -30.6796 20.0799 29.4039 # jumping subtree containing T0136:L 72 (71) jump= 0.157903 0.796834 0.530078 -0.243188 -78.7864 130.882 110.438 # jumping subtree containing T0136:G 42 (41) jump= 0.31396 0.781842 -0.341903 0.416239 151.755 257.64 -85.4273 # jumping subtree containing T0136:A 1 (0) jump= 0.09596 -0.76716 0.457614 -0.439144 134.367 288.49 96.2041 # generation 92: best score out of 40: T0136.try1-al10 59.2558 cost/residue, 142 clashes 0.0190477 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 355 ## TwoFragment 6 ## CrossOver 204 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 395 ## OptSubtree 1376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= -0.987398 0.00250867 -0.145096 0.0631337 -20.0713 -13.8126 39.8973 # jumping subtree containing T0136:A 1 (0) jump= 0.773968 0.133453 0.154069 0.599522 182.144 41.62 -36.7617 # jumping subtree containing T0136:M 12 (11) jump= 0.243146 0.693762 -0.453441 -0.50395 169.537 278.754 -59.8149 # jumping subtree containing T0136:M 12 (11) jump= -0.992588 0.0429747 -0.108913 0.032562 -0.546301 6.94962 13.0675 # jumping subtree containing T0136:A 20 (19) jump= -0.333495 -0.149324 0.821879 -0.437033 206.554 94.617 64.4478 # jumping subtree containing T0136:L 72 (71) jump= -0.0219514 -0.432763 0.836471 -0.335485 212.147 130.816 138.533 # jumping subtree containing T0136:R 15 (14) jump= -0.92933 0.0449677 0.204168 0.304365 -63.297 76.6714 -36.686 # jumping subtree containing T0136:E 32 (31) jump= -0.29569 -0.412738 0.806771 -0.302218 246.791 125.616 25.0809 # jumping subtree containing T0136:A 1 (0) jump= 0.648245 0.37716 -0.630238 -0.200821 123.175 120.173 -111.453 # jumping subtree containing T0136:G 42 (41) jump= 0.876753 0.243312 0.152175 0.385935 95.9649 -9.07067 -80.1133 # jumping subtree containing T0136:M 12 (11) jump= 0.493944 0.744582 -0.219244 0.391853 152.815 226.536 -141.042 # Removing break before 41 # generation 93: best score out of 40: T0136.try1-al10 59.2556 cost/residue, 142 clashes 0.0190484 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 355 ## TwoFragment 6 ## CrossOver 205 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 398 ## OptSubtree 1401 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.799121 -0.491561 -0.149785 0.31199 76.9639 41.1264 145.832 # jumping subtree containing T0136:G 42 (41) jump= -0.324587 -0.354603 0.069917 -0.874078 230.446 220.949 -51.0452 # jumping subtree containing T0136:L 72 (71) jump= 0.119045 0.364494 0.271524 -0.88275 126.799 230.703 150.929 # jumping subtree containing T0136:L 72 (71) jump= -0.911625 -0.361837 0.145139 0.130182 -0.633843 87.8849 -115.459 # jumping subtree containing T0136:L 72 (71) jump= 0.928266 0.280101 -0.166867 0.178945 94.7472 32.6378 -85.6313 # jumping subtree containing T0136:E 32 (31) jump= -0.969386 0.162279 0.173894 0.0609683 -8.23795 16.3764 35.9489 # Removing break before 41 # Removing break before 41 # generation 94: best score out of 40: T0136.try1-al10 59.2374 cost/residue, 142 clashes 0.0190477 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 356 ## TwoFragment 6 ## CrossOver 208 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 404 ## OptSubtree 1428 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:E 32 (31) jump= -0.411699 -0.194796 0.889646 0.0329846 209.774 70.8832 -46.4691 # jumping subtree containing T0136:E 32 (31) jump= 0.202418 0.635215 -0.702126 0.250096 252.266 208.229 15.4228 # Removing break before 41 # jumping subtree containing T0136:E 32 (31) jump= 0.91002 -0.0912962 0.325733 0.23964 86.3815 -5.46219 74.9847 # jumping subtree containing T0136:L 72 (71) jump= -0.906168 0.0498351 -0.419629 0.0169429 7.42817 -9.11321 85.653 # jumping subtree containing T0136:L 72 (71) jump= -0.962803 -0.211217 0.0970344 -0.137774 31.1024 1.45777 -77.249 # jumping subtree containing T0136:M 12 (11) jump= -0.865908 0.270717 -0.172935 0.383418 -67.5949 124.442 81.0696 # jumping subtree containing T0136:E 32 (31) jump= 0.974971 0.0110619 -0.146573 -0.16681 -23.9509 18.2627 -45.7573 # jumping subtree containing T0136:A 1 (0) jump= -0.918144 0.132822 -0.0958461 -0.36081 132.686 -26.3558 54.2954 # jumping subtree containing T0136:T 71 (70) jump= -0.873442 0.434347 0.0681008 0.209294 -53.0504 45.283 86.0339 # jumping subtree containing T0136:K 67 (66) jump= -0.272889 0.0632774 0.60776 -0.743072 204.551 139.361 153.111 # jumping subtree containing T0136:D 76 (75) jump= -0.873083 -0.436181 0.213949 0.0412131 59.678 101.915 -126.801 # Removing break before 41 # jumping subtree containing T0136:T 11 (10) jump= 0.281231 0.437747 -0.472 0.711691 212.218 223.907 19.8326 # jumping subtree containing T0136:M 12 (11) jump= 0.497786 0.76772 0.205923 -0.347003 -88.7613 230.058 -8.16004 # jumping subtree containing T0136:T 71 (70) jump= 0.463157 0.70019 0.36754 -0.400167 -85.952 184.444 56.8567 # generation 95: best score out of 40: T0136.try1-al10 59.2371 cost/residue, 142 clashes 0.0190479 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 356 ## TwoFragment 6 ## CrossOver 210 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 409 ## OptSubtree 1454 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.771627 -0.299243 0.545891 0.130569 65.5337 15.5507 128.116 # jumping subtree containing T0136:A 1 (0) jump= 0.99819 -0.043076 0.0243052 -0.0341976 -18.2519 7.55065 42.786 # jumping subtree containing T0136:A 1 (0) jump= 0.245286 0.90162 0.336717 -0.116357 -88.8111 246.839 22.4826 # jumping subtree containing T0136:A 64 (63) jump= -0.998006 -0.0547014 0.00911413 0.030158 -16.8641 -8.48465 -22.9897 # jumping subtree containing T0136:G 74 (73) jump= 0.522891 0.311009 -0.44404 0.657789 226.062 142.037 -11.2289 # jumping subtree containing T0136:L 72 (71) jump= -0.992273 -0.0402785 0.00892134 -0.117017 30.2836 -27.7654 11.581 # jumping subtree containing T0136:E 32 (31) jump= -0.996708 -0.00452894 -0.0797564 0.0138471 -2.62376 -20.3429 -4.5636 # jumping subtree containing T0136:L 72 (71) jump= 0.625403 0.725815 0.228965 0.172157 -14.6732 130.706 -87.4958 # jumping subtree containing T0136:K 67 (66) jump= 0.487956 0.775924 -0.0642586 0.394604 71.4905 223.95 -122.235 # jumping subtree containing T0136:S 58 (57) jump= 0.77378 -0.186452 -0.600199 -0.0791317 13.057 -6.24047 -27.7106 # jumping subtree containing T0136:G 42 (41) jump= 0.459362 -0.339088 0.582081 -0.578954 71.3141 245.317 193.176 # jumping subtree containing T0136:M 12 (11) jump= -0.999867 0.00245755 0.0139302 0.00806126 -13.4247 8.73705 -23.4192 # Removing break before 41 # jumping subtree containing T0136:M 12 (11) jump= 0.728527 -0.257445 0.56839 0.282671 174.945 11.289 104.472 # jumping subtree containing T0136:S 58 (57) jump= -0.851461 0.103788 0.506228 0.0892988 38.822 -23.2181 -28.4045 # generation 96: best score out of 40: T0136.try1-al10 59.2371 cost/residue, 142 clashes 0.0190476 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 356 ## TwoFragment 6 ## CrossOver 212 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 411 ## OptSubtree 1482 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.131562 -0.183225 0.968224 0.107994 180.444 35.5861 88.2403 # jumping subtree containing T0136:M 12 (11) jump= 0.863396 -0.359258 0.348575 -0.0630681 39.0708 57.518 136.606 # jumping subtree containing T0136:L 72 (71) jump= -0.997877 -0.0434574 -0.0376836 -0.0305449 -5.46447 -0.224317 17.7041 # jumping subtree containing T0136:L 72 (71) jump= -0.569543 0.671123 0.459457 -0.118806 10.0509 50.5159 111.364 # jumping subtree containing T0136:L 72 (71) jump= 0.347881 -0.416928 -0.709792 -0.448715 -12.7805 50.2678 -33.2618 # jumping subtree containing T0136:L 72 (71) jump= 0.655008 0.18676 -0.688345 -0.249531 109.565 73.5524 -117.9 # jumping subtree containing T0136:E 32 (31) jump= 0.142075 0.104507 0.48976 0.853831 148.403 143.516 -101.127 # jumping subtree containing T0136:G 31 (30) jump= 0.223002 0.654261 -0.662876 -0.287764 209.994 197.296 -26.7336 # jumping subtree containing T0136:S 58 (57) jump= 0.552441 0.0967282 0.248129 0.789863 195.69 119.063 -65.603 # jumping subtree containing T0136:L 72 (71) jump= -0.793285 -0.533444 0.27602 -0.0997465 56.0865 108.564 -105.196 # jumping subtree containing T0136:E 32 (31) jump= -0.956478 -0.142302 -0.201466 0.15592 -56.0125 46.0696 -12.2094 # jumping subtree containing T0136:R 47 (46) jump= 0.189099 0.704403 -0.212487 0.650313 153.858 288.176 -37.2713 # generation 97: best score out of 40: T0136.try1-al10 58.9287 cost/residue, 137 clashes 0.029566 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 358 ## TwoFragment 6 ## CrossOver 216 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 412 ## OptSubtree 1508 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:L 72 (71) jump= 0.999353 -0.0314048 0.0172065 0.00332517 5.98415 -22.1212 6.046 # jumping subtree containing T0136:K 67 (66) jump= -0.807942 -0.0172742 0.130103 -0.57446 170.047 22.8569 13.7719 # jumping subtree containing T0136:L 72 (71) jump= -0.0977 -0.802276 0.203281 0.552707 106.618 295.5 72.1902 # jumping subtree containing T0136:E 32 (31) jump= -0.974504 -0.111399 -0.0992863 -0.167552 52.794 -6.4311 -25.868 # jumping subtree containing T0136:T 11 (10) jump= 0.999937 0.00754059 -0.00360109 0.0075408 -15.8461 -2.18232 15.6352 # jumping subtree containing T0136:L 72 (71) jump= -0.78567 -0.155915 -0.579099 0.151849 -35.2438 39.9937 73.6892 # jumping subtree containing T0136:M 12 (11) jump= -0.923446 -0.270701 -0.224963 -0.152842 52.5501 7.27472 -35.5289 # generation 98: best score out of 40: T0136.try1-al10 58.9287 cost/residue, 137 clashes 0.029566 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 358 ## TwoFragment 6 ## CrossOver 217 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 418 ## OptSubtree 1535 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.871567 -0.411516 0.261411 0.0518555 59.3305 53.3115 156.3 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= -0.939327 -0.240849 0.098319 -0.223582 61.8563 15.4491 -70.2545 # jumping subtree containing T0136:E 32 (31) jump= 0.96382 0.0703103 0.199475 0.162228 54.445 -25.1334 9.4126 # jumping subtree containing T0136:V 35 (34) jump= 0.999808 0.00168213 -0.0156619 0.0116619 -7.15886 -6.72045 11.595 # jumping subtree containing T0136:L 72 (71) jump= 0.652504 -0.510459 0.495438 -0.261173 31.1132 134.598 219.217 # jumping subtree containing T0136:A 1 (0) jump= 0.966263 0.160744 -0.139725 -0.144823 -27.7766 44.758 -48.9211 # jumping subtree containing T0136:L 72 (71) jump= 0.990797 -0.0724011 0.0195351 -0.112684 -27.1886 23.506 -2.67887 # jumping subtree containing T0136:L 72 (71) jump= -0.457579 0.808141 -0.0299307 0.369639 -34.1316 203.603 78.4761 # jumping subtree containing T0136:M 12 (11) jump= 0.436601 -0.0661165 0.687507 -0.576491 77.2652 134.746 172.114 # jumping subtree containing T0136:T 11 (10) jump= 0.335782 -0.905502 -0.0999733 0.239419 40.0307 184.518 141.564 # generation 99: best score out of 40: T0136.try1-al10 58.7502 cost/residue, 136 clashes 0.0190476 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 358 ## TwoFragment 6 ## CrossOver 221 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 421 ## OptSubtree 1559 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 32 (31) jump= -0.672185 -0.551985 0.0275842 -0.492665 131.524 124.407 -136.323 # jumping subtree containing T0136:L 72 (71) jump= -0.990939 0.054015 -0.11331 0.0477842 -7.81208 -5.73384 30.6019 # jumping subtree containing T0136:E 32 (31) jump= -0.997962 -0.0547558 -0.0318189 0.00783064 -16.2075 16.9532 -6.39679 # jumping subtree containing T0136:K 67 (66) jump= -0.538333 -0.0433824 0.413069 0.733273 14.8787 183.733 -97.933 # jumping subtree containing T0136:L 72 (71) jump= 0.551176 -0.512546 0.444496 0.48572 185.206 107.233 138.814 # jumping subtree containing T0136:L 72 (71) jump= 0.557027 -0.749596 0.357372 -0.0105854 61.6429 151.428 172.056 # Removing break before 41 # jumping subtree containing T0136:S 58 (57) jump= -0.996938 0.0582923 0.0381963 0.0354504 -17.6541 23.4023 1.76938 # jumping subtree containing T0136:L 72 (71) jump= -0.712543 -0.610085 -0.3465 -0.00401959 -45.8592 120.385 -42.0507 # jumping subtree containing T0136:G 31 (30) jump= -0.704818 0.675348 0.217046 0.00525706 -8.96876 96.0871 152.98 # jumping subtree containing T0136:E 32 (31) jump= -0.901918 -0.206885 0.378858 0.0144354 57.2285 58.5718 -116.481 # Removing break before 41 # jumping subtree containing T0136:L 72 (71) jump= -0.966123 0.256189 0.0106027 0.0293572 -12.2296 28.7798 83.7058 # jumping subtree containing T0136:G 42 (41) jump= -0.362014 0.0152013 -0.619466 0.696403 94.203 233.005 184.51 # jumping subtree containing T0136:E 32 (31) jump= -0.11002 -0.44353 -0.88833 0.0452381 30.9974 10.2629 91.695 # jumping subtree containing T0136:L 72 (71) jump= -0.923196 -0.253304 -0.0316622 0.287306 -55.8108 76.8159 -39.7716 # generation 100: best score out of 40: T0136.try1-al10 58.7502 cost/residue, 136 clashes 0.0190476 breaks # Cumulative usage by method: ## InsertAlignment 3 ## InsertSpecificFragment 87 ## InsertFragment 358 ## TwoFragment 6 ## CrossOver 222 ## CrossAndInsert 39 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 423 ## OptSubtree 1580 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_951318696.pdb -s /projects/compbio/tmp/to_scwrl_951318696.seq -o /projects/compbio/tmp/from_scwrl_951318696.pdb -a /projects/compbio/tmp/from_scwrl_951318696_a.pdb -b /projects/compbio/tmp/from_scwrl_951318696_b.pdb > /projects/compbio/tmp/scwrl_951318696.log # T0136.try1-al10-scwrl 59.0769 cost/residue 136 clashes 0.0190476 breaks # filling super_pool to have at least 40 conformations # best score in super_pool out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA at pool[18] 57.2597 cost/residue, 121 clashes 0.0218686 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+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2597 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 12 ## TwoFragment 0 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 3 ## 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-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2597 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 30 ## 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-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2597 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 50 ## TwoFragment 0 ## CrossOver 2 ## CrossAndInsert 3 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.864038 0.442603 -0.173467 0.16568 35.1572 68.4367 -32.2381 # generation 4: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2597 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 9 ## InsertFragment 67 ## TwoFragment 0 ## CrossOver 3 ## CrossAndInsert 6 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2597 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 12 ## InsertFragment 78 ## TwoFragment 0 ## CrossOver 5 ## CrossAndInsert 10 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.2597 cost/residue, 121 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 94 ## TwoFragment 0 ## CrossOver 7 ## CrossAndInsert 14 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 54 # jumping subtree containing T0136:A 78 (77) jump= -0.79812 -0.561799 -0.150245 -0.157522 36.6734 -66.6553 -72.3844 # generation 7: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.1698 cost/residue, 120 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 115 ## TwoFragment 0 ## CrossOver 7 ## CrossAndInsert 15 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.1698 cost/residue, 120 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 130 ## TwoFragment 0 ## CrossOver 9 ## CrossAndInsert 20 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 5 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 9: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.1697 cost/residue, 120 clashes 0.0250235 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 144 ## TwoFragment 0 ## CrossOver 12 ## CrossAndInsert 20 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 10: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.1167 cost/residue, 87 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 155 ## TwoFragment 0 ## CrossOver 17 ## CrossAndInsert 21 ## ReduceClash 11 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 7 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 11: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.1103 cost/residue, 87 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 18 ## InsertFragment 169 ## TwoFragment 0 ## CrossOver 19 ## CrossAndInsert 22 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 8 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 57.1103 cost/residue, 87 clashes 0.0218686 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 181 ## TwoFragment 0 ## CrossOver 23 ## CrossAndInsert 23 ## ReduceClash 13 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8859 cost/residue, 99 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 192 ## TwoFragment 0 ## CrossOver 28 ## CrossAndInsert 25 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 13 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 14: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8859 cost/residue, 99 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 203 ## TwoFragment 0 ## CrossOver 31 ## CrossAndInsert 28 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 15 ## OptSubtree 21 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 15: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8859 cost/residue, 99 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 214 ## TwoFragment 0 ## CrossOver 35 ## CrossAndInsert 29 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 16 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.799063 0.601054 0.00904634 -0.0122182 -4.51796 93.9203 -67.8409 # generation 16: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8813 cost/residue, 100 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 222 ## TwoFragment 0 ## CrossOver 39 ## CrossAndInsert 29 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 19 ## OptSubtree 36 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 17: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8482 cost/residue, 97 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 224 ## TwoFragment 0 ## CrossOver 47 ## CrossAndInsert 29 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 22 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.308996 -0.863857 -0.170424 0.359483 -113.451 87.3166 -208.743 # generation 18: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8481 cost/residue, 97 clashes 0.0250235 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 232 ## TwoFragment 0 ## CrossOver 52 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 25 ## OptSubtree 53 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.493918 -0.535042 0.201761 0.655033 -107.464 -71.6604 -58.9828 # generation 19: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8373 cost/residue, 99 clashes 0.0250236 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 233 ## TwoFragment 0 ## CrossOver 59 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 31 ## OptSubtree 63 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.0838512 -0.115165 0.911326 0.386252 -121.44 48.4667 -141.85 # jumping subtree containing T0136:T 70 (69) jump= 0.86504 0.190502 0.355381 0.298528 41.2531 26.9154 -74.3753 # generation 20: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8373 cost/residue, 99 clashes 0.0250236 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 233 ## TwoFragment 0 ## CrossOver 63 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 41 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= -0.0519864 0.969804 -0.0174701 -0.237638 -25.2244 -9.51307 -208.846 # generation 21: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.8373 cost/residue, 99 clashes 0.0250236 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 240 ## TwoFragment 0 ## CrossOver 68 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 43 ## OptSubtree 83 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.425512 -0.798621 -0.335217 -0.262247 45.4527 13.4777 -147.645 # generation 22: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.7997 cost/residue, 97 clashes 0.0250237 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 241 ## TwoFragment 0 ## CrossOver 73 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 50 ## OptSubtree 94 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= 0.409544 -0.76101 -0.398883 0.306642 -140.198 120.513 -193.276 # generation 23: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.6911 cost/residue, 98 clashes 0.0241694 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 242 ## TwoFragment 0 ## CrossOver 78 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 57 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.966768 -0.173893 -0.166099 0.0867911 -35.2876 28.5859 11.6573 # jumping subtree containing T0136:V 79 (78) jump= -0.955934 -0.0745665 0.199463 0.202102 -49.8666 -28.1061 0.54538 # generation 24: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.691 cost/residue, 98 clashes 0.0241694 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 242 ## TwoFragment 0 ## CrossOver 81 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 62 ## OptSubtree 123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.0463194 -0.0480763 -0.952526 -0.297047 -60.4826 54.6178 -153.527 # jumping subtree containing T0136:T 70 (69) jump= -0.954538 0.0478181 -0.0426039 -0.291128 -11.4092 69.4326 11.2699 # generation 25: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.691 cost/residue, 98 clashes 0.0241694 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 242 ## TwoFragment 0 ## CrossOver 82 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 72 ## OptSubtree 138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.340884 -0.0941955 -0.23724 -0.904789 -59.679 40.4043 -22.8936 # jumping subtree containing T0136:H 39 (38) jump= -0.166966 0.710256 0.68231 -0.0459694 -79.7134 68.8636 -197.45 # jumping subtree containing T0136:T 45 (44) jump= -0.343919 0.361142 -0.81429 -0.297032 -31.6342 63.7138 -205.636 # jumping subtree containing T0136:D 60 (59) jump= -0.907024 -0.228327 -0.0467892 -0.350693 9.10468 4.57965 -21.0623 # generation 26: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.691 cost/residue, 98 clashes 0.0241694 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 242 ## TwoFragment 0 ## CrossOver 85 ## CrossAndInsert 30 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 76 ## OptSubtree 155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 61 (60) jump= -0.939095 -0.291964 -0.15732 -0.0900417 23.0622 -23.3843 -32.9591 # jumping subtree containing T0136:T 45 (44) jump= -0.97671 0.103226 0.182202 0.0467384 -47.4098 28.6626 1.18041 # Removing break before 54 # generation 27: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.6432 cost/residue, 97 clashes 0.0250855 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 242 ## TwoFragment 0 ## CrossOver 87 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 85 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.648824 -0.743207 -0.0659479 -0.149403 23.1807 68.6556 -95.1491 # generation 28: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.6432 cost/residue, 97 clashes 0.0250855 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 242 ## TwoFragment 0 ## CrossOver 89 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 91 ## OptSubtree 183 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= 0.668198 0.537268 -0.38895 -0.337005 -132.448 -99.9169 -53.7965 # jumping subtree containing T0136:T 45 (44) jump= -0.0508563 0.260822 -0.084282 0.960355 -46.0753 -34.003 -17.6895 # jumping subtree containing T0136:A 78 (77) jump= 0.869803 -0.318923 -0.369814 -0.0704905 -47.1674 48.5581 -16.2603 # generation 29: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.6432 cost/residue, 97 clashes 0.0250855 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 243 ## TwoFragment 0 ## CrossOver 90 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 97 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.128951 -0.247211 -0.295034 0.9139 -50.9828 -110.449 -43.0607 # jumping subtree containing T0136:A 78 (77) jump= -0.989526 -0.0212322 0.0413428 -0.136665 -5.05303 3.03809 -16.6087 # jumping subtree containing T0136:T 45 (44) jump= 0.55777 0.25328 0.384829 -0.690398 -40.5627 -115.975 -101.493 # generation 30: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.6213 cost/residue, 97 clashes 0.0244881 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 243 ## TwoFragment 0 ## CrossOver 92 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 100 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.872413 -0.234206 -0.139235 -0.405779 9.96387 -6.5611 -28.1023 # jumping subtree containing T0136:A 1 (0) jump= 0.33922 0.880713 -0.227281 -0.240037 -73.8985 -111.522 -163.545 # generation 31: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.6213 cost/residue, 97 clashes 0.024488 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 243 ## TwoFragment 0 ## CrossOver 92 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 109 ## OptSubtree 234 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.980139 -0.0555878 -0.0510046 0.183399 -3.84966 -38.5433 3.85118 # generation 32: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.6141 cost/residue, 97 clashes 0.0251017 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 243 ## TwoFragment 0 ## CrossOver 93 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 117 ## OptSubtree 255 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 9 (8) jump= -0.980809 -0.101758 -0.0719846 -0.149926 4.08532 9.2267 -2.51667 # generation 33: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2528 cost/residue, 97 clashes 0.0307094 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 245 ## TwoFragment 0 ## CrossOver 97 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 121 ## OptSubtree 270 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.86735 0.339207 0.191827 -0.309587 -69.9819 86.4102 -32.6063 # jumping subtree containing T0136:E 2 (1) jump= -0.754437 0.48432 0.25586 -0.361655 -83.6913 82.3409 -48.0897 # jumping subtree containing T0136:T 70 (69) jump= -0.907338 0.199931 -0.215446 0.300578 53.8635 20.2606 -43.7747 # jumping subtree containing T0136:T 70 (69) jump= -0.929908 -0.0745677 0.108114 0.343543 -9.95489 -28.6408 0.0880404 # jumping subtree containing T0136:A 78 (77) jump= 0.703671 -0.413885 0.0906099 0.570383 -74.4203 67.7613 -62.8308 # generation 34: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2527 cost/residue, 97 clashes 0.0307093 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 246 ## TwoFragment 0 ## CrossOver 99 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 131 ## OptSubtree 291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= 0.632693 0.565628 0.526741 -0.0480438 37.4766 -32.4973 -159.552 # Removing break before 54 # jumping subtree containing T0136:A 28 (27) jump= 0.701724 -0.210505 -0.499937 -0.461882 -93.6737 54.5064 5.05336 # generation 35: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2527 cost/residue, 97 clashes 0.0307091 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 246 ## TwoFragment 0 ## CrossOver 101 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 138 ## OptSubtree 313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 9 (8) jump= -0.386803 0.885148 -0.255219 -0.0419588 -0.685427 43.3727 -200.361 # jumping subtree containing T0136:A 78 (77) jump= -0.0410468 -0.103966 0.656695 0.745827 -102.695 96.0722 -94.5401 # jumping subtree containing T0136:A 9 (8) jump= 0.897558 -0.151196 -0.0986023 0.402253 -22.4297 41.4259 -22.5832 # jumping subtree containing T0136:A 78 (77) jump= -0.497448 -0.344745 -0.631872 0.484184 29.2689 -127.94 -128.964 # generation 36: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2527 cost/residue, 97 clashes 0.0307091 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 246 ## TwoFragment 0 ## CrossOver 103 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 142 ## OptSubtree 331 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.981389 -0.0914397 0.155935 0.0647914 -40.5904 -24.1261 -1.23001 # jumping subtree containing T0136:T 70 (69) jump= -0.689963 0.548066 -0.471167 0.0397086 71.4254 60.6667 -139.507 # jumping subtree containing T0136:T 45 (44) jump= -0.0471856 -0.281368 0.853526 0.436003 -101.205 69.4484 -160.952 # jumping subtree containing T0136:A 78 (77) jump= 0.944763 0.0859903 -0.00574055 -0.316222 -14.8438 -7.23721 -3.79876 # jumping subtree containing T0136:A 9 (8) jump= -0.998919 0.0438561 0.01403 -0.00633264 -4.24719 27.1345 18.8992 # generation 37: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2527 cost/residue, 97 clashes 0.0307095 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 246 ## TwoFragment 0 ## CrossOver 105 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 148 ## OptSubtree 347 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # jumping subtree containing T0136:T 45 (44) jump= -0.937476 0.0952933 0.275892 -0.189584 -55.8019 10.0958 13.9931 # jumping subtree containing T0136:D 55 (54) jump= 0.998314 -0.0178692 0.0232816 0.0500715 13.7649 31.3553 -16.3129 # jumping subtree containing T0136:T 70 (69) jump= 0.967282 0.0631194 -0.14339 0.199552 -17.4754 -12.1154 -15.0093 # jumping subtree containing T0136:D 55 (54) jump= 0.99362 0.0270457 -0.0959705 -0.0526999 -25.7925 -23.2667 1.2554 # generation 38: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2527 cost/residue, 97 clashes 0.0307095 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 246 ## TwoFragment 0 ## CrossOver 110 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 152 ## OptSubtree 362 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.937934 -0.112868 0.195073 0.263603 -63.6502 -49.1962 6.57526 # jumping subtree containing T0136:T 70 (69) jump= 0.390906 -0.263097 -0.849946 0.235721 -147.076 8.4232 -200.217 # jumping subtree containing T0136:A 78 (77) jump= -0.607975 -0.523204 0.405206 -0.438671 -21.5307 -101.176 -66.3366 # generation 39: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2527 cost/residue, 97 clashes 0.0307095 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 246 ## TwoFragment 0 ## CrossOver 113 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 153 ## OptSubtree 382 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 17 (16) jump= 0.876959 -0.150055 0.360849 -0.279668 61.057 14.4992 -37.0782 # jumping subtree containing T0136:Q 38 (37) jump= -0.786716 -0.60751 -0.101042 -0.0424246 7.27866 -80.751 -101.382 # jumping subtree containing T0136:A 1 (0) jump= -0.912025 0.149197 -0.355275 0.140468 65.1505 32.3025 -56.0459 # generation 40: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2527 cost/residue, 97 clashes 0.0307095 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 246 ## TwoFragment 0 ## CrossOver 119 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 157 ## OptSubtree 396 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.967258 0.248546 0.0295285 -0.0420201 -5.72191 -53.7604 -37.4289 # jumping subtree containing T0136:T 70 (69) jump= 0.976802 -0.164456 -0.0870492 0.105991 -46.8588 52.8992 -15.1885 # jumping subtree containing T0136:A 78 (77) jump= -0.959226 0.0917134 0.0991707 0.248273 -19.6063 -1.95529 -20.2085 # jumping subtree containing T0136:A 78 (77) jump= 0.541874 -0.66181 -0.299906 0.422418 -124.868 106.54 -125.967 # jumping subtree containing T0136:Q 38 (37) jump= -0.697086 0.129989 0.355999 0.608637 -99.9232 102.142 -24.4877 # Removing break before 37 # jumping subtree containing T0136:A 78 (77) jump= -0.862674 -0.0768822 -0.132104 0.482111 15.2866 -52.7012 8.02794 # jumping subtree containing T0136:A 78 (77) jump= -0.854339 0.4469 0.260254 -0.0514997 -59.4693 99.2056 -62.1474 # generation 41: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2407 cost/residue, 97 clashes 0.0307094 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 247 ## TwoFragment 0 ## CrossOver 130 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 161 ## OptSubtree 404 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.904366 -0.140997 0.245776 -0.319117 64.7022 6.13075 -21.6843 # jumping subtree containing T0136:A 1 (0) jump= -0.852411 -0.328971 0.371105 0.165694 -101.744 -53.1926 -108.867 # jumping subtree containing T0136:Q 38 (37) jump= -0.771446 -0.544188 0.279369 -0.175168 -34.0216 -94.6279 -113.269 # jumping subtree containing T0136:A 9 (8) jump= 0.925263 0.328324 -0.140952 0.127374 -37.3345 -60.5252 -33.9464 # jumping subtree containing T0136:V 25 (24) jump= 0.702404 0.510014 -0.110742 0.483995 75.6508 -93.5071 -85.3038 # generation 42: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.2407 cost/residue, 97 clashes 0.0307094 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 247 ## TwoFragment 0 ## CrossOver 140 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 162 ## OptSubtree 417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= 0.495879 -0.695327 0.0673751 0.515834 -108.105 88.4067 -137.515 # jumping subtree containing T0136:T 45 (44) jump= 0.862818 -0.351034 0.295548 -0.212064 73.9068 31.2559 -54.9491 # jumping subtree containing T0136:A 78 (77) jump= 0.0458349 -0.118938 -0.898997 0.418996 -93.2013 -76.4832 -180.335 # jumping subtree containing T0136:T 70 (69) jump= -0.251722 0.0621518 0.147268 0.954508 -63.1825 -14.8783 -10.6568 # jumping subtree containing T0136:A 78 (77) jump= -0.706241 0.679325 -0.00330481 0.199325 20.4422 134.767 -96.333 # jumping subtree containing T0136:A 9 (8) jump= 0.505983 0.825619 0.196672 -0.153799 -28.1001 -85.0078 -169.472 # jumping subtree containing T0136:T 45 (44) jump= 0.70265 0.538168 0.350874 0.305852 82.0839 -9.13384 -94.2175 # jumping subtree containing T0136:T 70 (69) jump= 0.904397 -0.308003 0.123035 -0.268444 43.9005 61.0333 -12.2505 # generation 43: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.1887 cost/residue, 102 clashes 0.0275542 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 247 ## TwoFragment 0 ## CrossOver 144 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 167 ## OptSubtree 443 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 66 (65) jump= -0.751009 -0.152543 0.172146 -0.618937 -52.5694 -42.624 14.0199 # jumping subtree containing T0136:E 2 (1) jump= 0.756162 0.121915 -0.388586 0.512207 -40.7037 -35.421 0.307907 # jumping subtree containing T0136:A 78 (77) jump= -0.773494 -0.112157 -0.475644 0.403598 66.3867 -93.5173 -93.7969 # jumping subtree containing T0136:R 66 (65) jump= -0.399733 0.438028 0.19066 -0.7823 -153.256 29.2322 -48.8929 # jumping subtree containing T0136:A 78 (77) jump= 0.916417 -0.108305 -0.0722359 -0.378459 -47.0503 -18.9285 -6.87166 # jumping subtree containing T0136:T 70 (69) jump= -0.557635 0.399346 -0.685555 0.244091 82.4744 -23.8139 -183.564 # jumping subtree containing T0136:A 9 (8) jump= -0.042988 0.177647 0.47627 0.860093 2.59083 93.6993 -71.9552 # jumping subtree containing T0136:T 45 (44) jump= 0.966842 0.0834308 -0.152905 -0.18675 -57.0218 -22.702 0.958273 # generation 44: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.1887 cost/residue, 102 clashes 0.0275544 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 247 ## TwoFragment 0 ## CrossOver 147 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 168 ## OptSubtree 468 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.413669 -0.639635 0.621215 0.183948 -135.827 -53.8274 -168.023 # jumping subtree containing T0136:A 78 (77) jump= 0.99339 -0.0480782 0.0478857 -0.0925792 10.9373 -13.8125 0.241234 # generation 45: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.1886 cost/residue, 102 clashes 0.0275541 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 247 ## TwoFragment 0 ## CrossOver 149 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 177 ## OptSubtree 489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 45 (44) jump= -0.932161 0.197769 0.24954 0.172316 -66.9512 58.5373 -29.1186 # jumping subtree containing T0136:A 78 (77) jump= 0.975849 -0.168448 -0.0933323 0.103116 -31.7805 38.3915 -5.36675 # jumping subtree containing T0136:G 31 (30) jump= -0.574836 0.403221 -0.481804 0.524254 51.8076 -31.4885 -76.3436 # jumping subtree containing T0136:T 45 (44) jump= -0.256632 -0.54399 0.628301 -0.49341 40.6178 -150.034 -208.988 # generation 46: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0987 cost/residue, 109 clashes 0.0275542 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 248 ## TwoFragment 0 ## CrossOver 152 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 181 ## OptSubtree 505 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.0661325 -0.445509 -0.519362 0.726231 -161.946 -59.5616 -145.362 # jumping subtree containing T0136:A 78 (77) jump= 0.0611514 0.357546 0.907896 0.21011 -38.6319 57.901 -250.97 # jumping subtree containing T0136:T 70 (69) jump= 0.831231 -0.163227 -0.144342 0.511447 -47.2147 29.8744 -0.870081 # jumping subtree containing T0136:D 55 (54) jump= -0.00242888 -0.70019 -0.208873 0.682715 -130.774 -14.9535 -157.999 # jumping subtree containing T0136:A 78 (77) jump= -0.0891981 0.905762 0.414284 -0.00284494 -6.57481 31.8957 -253.428 # jumping subtree containing T0136:A 1 (0) jump= 0.980336 0.134494 0.090008 -0.112925 11.5274 -28.9861 4.29156 # jumping subtree containing T0136:I 26 (25) jump= -0.534764 -0.448396 -0.667736 -0.259032 128.587 -36.8323 -205.439 # jumping subtree containing T0136:A 78 (77) jump= 0.526495 -0.542143 -0.107669 0.645981 -119.188 82.9678 -97.2803 # jumping subtree containing T0136:A 9 (8) jump= 0.976431 0.18905 -0.0523188 -0.0900291 -26.6543 -32.4882 2.10414 # Removing break before 54 # generation 47: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0987 cost/residue, 109 clashes 0.0275542 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 248 ## TwoFragment 0 ## CrossOver 156 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 185 ## OptSubtree 522 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 10 (9) jump= -0.134875 -0.862248 0.478093 0.0988136 -44.4092 -8.80389 -225.529 # jumping subtree containing T0136:A 78 (77) jump= -0.397916 -0.790641 -0.342081 -0.315485 59.0232 -26.0301 -177.52 # jumping subtree containing T0136:D 60 (59) jump= 0.0733108 -0.446236 -0.890356 -0.0525846 -30.5906 26.8608 -287.699 # jumping subtree containing T0136:Q 38 (37) jump= 0.872166 -0.332918 0.215191 -0.286678 44.2258 67.9453 -40.0758 # jumping subtree containing T0136:T 70 (69) jump= -0.851877 -0.174457 -0.471378 -0.147215 115.241 -16.7729 -98.8002 # jumping subtree containing T0136:A 9 (8) jump= -0.442889 0.746852 0.176128 -0.463723 -117.172 80.6478 -162.66 # generation 48: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.081 cost/residue, 109 clashes 0.0275544 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 248 ## TwoFragment 0 ## CrossOver 164 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 189 ## OptSubtree 542 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 9 (8) jump= -0.937639 -0.216461 -0.125288 0.241412 8.02689 -77.6443 -37.4618 # jumping subtree containing T0136:D 55 (54) jump= -0.700144 0.625375 -0.34362 0.0251053 75.2827 139.543 -134.159 # Removing break before 54 # jumping subtree containing T0136:T 45 (44) jump= 0.999838 -0.00440878 0.00233908 -0.0173169 -3.15175 -3.18792 2.76869 # generation 49: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.081 cost/residue, 109 clashes 0.0275536 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 248 ## TwoFragment 0 ## CrossOver 169 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 194 ## OptSubtree 560 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 37 # jumping subtree containing T0136:T 70 (69) jump= -0.538608 -0.541506 -0.637603 -0.100672 81.8955 -61.8629 -220.901 # jumping subtree containing T0136:E 2 (1) jump= 0.026045 0.60558 -0.792269 -0.0700338 -34.9338 -21.1671 -309.917 # jumping subtree containing T0136:T 45 (44) jump= -0.999025 0.00239126 -0.00168771 0.0440472 17.6335 15.1455 -0.696552 # generation 50: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0791 cost/residue, 109 clashes 0.0275545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 248 ## TwoFragment 0 ## CrossOver 173 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 200 ## OptSubtree 584 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.949385 0.180306 0.246555 0.0732734 -47.51 28.5859 -12.929 # jumping subtree containing T0136:Q 38 (37) jump= 0.540983 0.425019 -0.553441 -0.469467 -182.817 8.65604 -164.839 # jumping subtree containing T0136:L 19 (18) jump= 0.0783532 0.138593 0.877435 -0.452505 -12.0764 -94.8122 -230.464 # jumping subtree containing T0136:A 78 (77) jump= 0.338015 0.196193 -0.414198 -0.822007 -108.2 52.1934 -64.5548 # generation 51: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0788 cost/residue, 109 clashes 0.0275551 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 248 ## TwoFragment 0 ## CrossOver 176 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 208 ## OptSubtree 597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 74 (73) jump= -0.973996 0.154838 -0.0827088 0.143235 39.0476 38.8087 -18.4027 # jumping subtree containing T0136:A 9 (8) jump= 0.999685 -0.0214674 -0.000759906 0.0129732 8.60128 0.856342 9.77367 # jumping subtree containing T0136:A 78 (77) jump= 0.0646503 0.35455 0.195275 0.912131 69.7928 34.0856 -33.6345 # generation 52: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0785 cost/residue, 109 clashes 0.0275544 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 248 ## TwoFragment 0 ## CrossOver 178 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 215 ## OptSubtree 623 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 9 (8) jump= -0.846022 -0.257091 0.275294 -0.377311 -67.7254 -73.0543 -30.3736 # jumping subtree containing T0136:E 2 (1) jump= 0.937381 0.0589694 -0.272655 0.208562 -67.6418 -34.6277 -20.0597 # jumping subtree containing T0136:A 78 (77) jump= -0.408764 0.453061 -0.789363 0.0674831 78.7981 4.24387 -215.977 # jumping subtree containing T0136:A 9 (8) jump= 0.999875 0.0129563 -0.00302143 0.00849468 -21.878 -15.2235 3.07434 # jumping subtree containing T0136:A 78 (77) jump= 0.54676 -0.591138 -0.205471 0.556229 -122.555 78.513 -105.129 # jumping subtree containing T0136:E 2 (1) jump= 0.988778 -0.118497 0.0861821 -0.0291402 16.4293 46.7264 -13.8628 # jumping subtree containing T0136:E 17 (16) jump= -0.998843 0.00738333 0.0473582 0.00391467 -24.1963 -15.6393 -16.437 # jumping subtree containing T0136:E 17 (16) jump= 0.317708 -0.836789 0.435209 -0.0971498 50.952 66.2752 -231.201 # generation 53: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0677 cost/residue, 108 clashes 0.0275548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 181 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 226 ## OptSubtree 637 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 41 (40) jump= 0.907271 -0.328817 0.153406 0.212616 27.7957 87.3028 -40.5896 # jumping subtree containing T0136:V 79 (78) jump= 0.970816 -0.185532 -0.0939927 -0.119414 -30.0337 59.2726 9.73725 # jumping subtree containing T0136:A 9 (8) jump= 0.195137 -0.936902 0.242855 0.158613 -31.4443 28.976 -275.301 # jumping subtree containing T0136:E 17 (16) jump= -0.219585 -0.336513 -0.804552 0.437307 -4.11985 -136.695 -281.851 # jumping subtree containing T0136:T 45 (44) jump= 0.842091 0.0388001 -0.281222 -0.458576 -59.7884 35.473 -20.4781 # jumping subtree containing T0136:T 45 (44) jump= -0.849556 0.511403 -0.00679384 0.129134 8.16689 157.942 -99.4998 # jumping subtree containing T0136:A 78 (77) jump= 0.773723 -0.00782954 0.476152 0.417818 89.7692 67.0516 -50.7865 # generation 54: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0676 cost/residue, 108 clashes 0.0275542 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 190 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 237 ## OptSubtree 649 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 52 (51) jump= -0.997262 -0.00261168 0.0448017 0.0587772 0.975027 7.77013 -1.03445 # jumping subtree containing T0136:T 70 (69) jump= 0.990066 0.0201667 0.134604 -0.0352706 26.586 6.31367 -15.769 # jumping subtree containing T0136:A 9 (8) jump= 0.999921 -0.0123305 -0.00130298 0.00193421 2.11816 -12.4303 -2.65972 # jumping subtree containing T0136:A 78 (77) jump= 0.966315 -0.22549 -0.0595785 0.108809 -18.0274 69.2462 -40.939 # jumping subtree containing T0136:A 9 (8) jump= 0.388172 0.125068 -0.861504 0.302475 -88.1046 -73.7395 -231.74 # generation 55: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0675 cost/residue, 108 clashes 0.0275544 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 190 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 243 ## OptSubtree 677 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.678754 -0.386192 -0.16461 0.602538 -36.4784 -94.6777 -36.4985 # jumping subtree containing T0136:D 55 (54) jump= 0.778676 -0.0696709 -0.50036 -0.372088 -128.359 54.0758 -50.4247 # jumping subtree containing T0136:A 78 (77) jump= -0.338411 -0.383737 -0.7637 0.393684 -14.4629 -119.652 -246.183 # jumping subtree containing T0136:T 70 (69) jump= 0.669585 -0.49517 -0.323491 0.44924 -98.9406 37.3667 -101.882 # jumping subtree containing T0136:A 78 (77) jump= 0.990006 -0.0647156 -0.0921086 -0.084946 -25.53 -4.01367 9.28447 # jumping subtree containing T0136:E 2 (1) jump= 0.0681717 0.721135 0.668526 0.168492 37.1601 26.7525 -341.79 # jumping subtree containing T0136:E 2 (1) jump= -0.24243 0.691982 0.498889 0.462059 55.3933 126.078 -185.025 # generation 56: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0675 cost/residue, 108 clashes 0.0275544 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 194 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 251 ## OptSubtree 692 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.889391 -0.260361 0.321365 0.194734 -105.94 -65.9974 -31.0076 # jumping subtree containing T0136:V 62 (61) jump= -0.682347 0.217666 -0.588276 0.375441 93.7744 -19.2644 -103.887 # jumping subtree containing T0136:T 70 (69) jump= -0.765167 -0.0937566 0.456485 0.444242 -96.8331 18.4747 -56.4348 # jumping subtree containing T0136:A 9 (8) jump= 0.45093 -0.0113453 -0.441589 -0.775585 -104.99 126.019 -59.7414 # generation 57: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0675 cost/residue, 108 clashes 0.0275545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 197 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 253 ## OptSubtree 711 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.304896 0.390962 0.779927 0.381969 134.728 53.7086 -264.23 # jumping subtree containing T0136:A 78 (77) jump= 0.910561 -0.0696314 0.00382087 0.407449 -10.1458 34.8122 4.70675 # jumping subtree containing T0136:Q 38 (37) jump= -0.811426 0.503814 -0.134266 0.26407 55.0228 108.667 -84.8471 # jumping subtree containing T0136:Q 38 (37) jump= -0.267282 -0.277038 -0.419361 0.822159 -23.2712 -123.032 -93.2204 # jumping subtree containing T0136:T 70 (69) jump= 0.852532 -0.0710934 0.363139 0.36914 79.7564 81.2448 -78.7814 # jumping subtree containing T0136:T 45 (44) jump= 0.999875 -0.0135505 -0.000594536 0.00810817 -9.57055 -9.45872 -1.71306 # jumping subtree containing T0136:A 28 (27) jump= -0.990765 -0.0534532 0.123419 0.0171614 -18.8083 -31.4702 -18.9498 # generation 58: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0675 cost/residue, 108 clashes 0.0275545 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 202 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 255 ## OptSubtree 728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 28 (27) jump= -0.999757 0.0150819 -0.0125643 -0.0100457 3.63742 21.6767 12.1732 # jumping subtree containing T0136:Q 38 (37) jump= 0.667093 -0.0167532 0.739838 0.085709 167.89 -3.26519 -156.648 # jumping subtree containing T0136:A 78 (77) jump= -0.197881 0.773572 -0.594797 0.0929815 37.1941 45.1353 -292.664 # jumping subtree containing T0136:S 58 (57) jump= -0.759152 -0.0603676 -0.038222 0.64698 -38.7692 -33.8288 -19.7596 # jumping subtree containing T0136:A 78 (77) jump= -0.754082 -0.247335 0.473776 0.381736 -165.67 -22.042 -76.6688 # jumping subtree containing T0136:D 55 (54) jump= -0.658823 0.670644 0.0971476 0.326728 33.9684 136.424 -125.247 # jumping subtree containing T0136:A 78 (77) jump= 0.949916 0.0446578 0.192726 0.241914 71.3198 15.4747 -26.5087 # generation 59: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0675 cost/residue, 108 clashes 0.0275528 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 207 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 261 ## OptSubtree 741 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= 0.946079 0.0016358 -0.0900325 0.31117 -21.5341 -6.19487 -7.03701 # jumping subtree containing T0136:A 78 (77) jump= -0.712545 -0.641343 0.263521 0.107308 -94.6687 -134.576 -150.363 # jumping subtree containing T0136:A 78 (77) jump= -0.999188 -0.0149637 0.0363606 0.00876606 -12.5078 5.7824 6.94061 # jumping subtree containing T0136:E 2 (1) jump= -0.814424 -0.378501 -0.216346 0.382943 0.255184 -125.598 -57.3023 # jumping subtree containing T0136:E 2 (1) jump= 0.998928 -0.0236837 0.00678087 0.0391823 2.32693 35.9422 5.80185 # jumping subtree containing T0136:Q 38 (37) jump= -0.937436 -0.296502 -0.0959242 -0.155239 55.3731 -76.1285 -55.7805 # jumping subtree containing T0136:A 78 (77) jump= 0.173797 0.0290221 -0.976044 0.12763 -50.1507 -37.1589 -291.868 # jumping subtree containing T0136:L 8 (7) jump= -0.767857 -0.432643 -0.0797265 0.465682 -51.7277 -107.024 -54.9897 # jumping subtree containing T0136:T 45 (44) jump= -0.953713 8.60144e-05 -0.0361899 0.298532 -10.5492 -5.50645 15.6939 # generation 60: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0675 cost/residue, 108 clashes 0.0275528 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 249 ## TwoFragment 0 ## CrossOver 213 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 265 ## OptSubtree 755 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:N 51 (50) jump= 0.94889 -0.270935 0.161237 0.014312 27.4401 87.5578 -21.323 # jumping subtree containing T0136:L 8 (7) jump= 0.798616 -0.353542 0.364928 0.322565 44.7287 118.259 -73.6955 # jumping subtree containing T0136:A 78 (77) jump= 0.979242 0.107022 0.168843 0.0335153 48.8025 -15.6359 -19.4169 # jumping subtree containing T0136:M 12 (11) jump= -0.573681 -0.151631 -0.499201 0.631424 38.2074 -102.317 -81.8624 # jumping subtree containing T0136:T 45 (44) jump= 0.978548 0.179573 0.00575541 0.100822 11.6906 -72.4489 -8.01865 # generation 61: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.059 cost/residue, 108 clashes 0.0275546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 251 ## TwoFragment 0 ## CrossOver 219 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 265 ## OptSubtree 771 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.102454 0.449066 0.856198 0.234027 38.071 63.4484 -246.124 # jumping subtree containing T0136:A 78 (77) jump= -0.369 -0.0646573 0.849438 -0.371636 -129.263 -102.029 -189.201 # jumping subtree containing T0136:E 2 (1) jump= -0.437192 -0.42831 0.106994 0.78356 -109.616 6.23632 -67.4784 # jumping subtree containing T0136:T 45 (44) jump= -0.0101913 0.205057 0.757351 -0.619892 -43.0635 -147.597 -204.565 # jumping subtree containing T0136:T 11 (10) jump= 0.936572 -0.329149 0.104023 -0.0606124 20.3675 87.9104 -66.4822 # jumping subtree containing T0136:T 45 (44) jump= -0.53437 0.806136 0.240644 -0.0817571 -61.146 118.83 -215.282 # jumping subtree containing T0136:T 45 (44) jump= 0.28416 0.918744 0.220742 -0.162591 -25.2496 -99.9913 -248.366 # jumping subtree containing T0136:A 78 (77) jump= -0.701691 -0.0393946 0.24698 0.667142 -55.2211 45.5968 -26.4858 # jumping subtree containing T0136:A 78 (77) jump= 0.293361 0.688329 0.0369345 -0.662403 -156.268 -69.1988 -185.536 # jumping subtree containing T0136:T 45 (44) jump= -0.736598 -0.482816 0.38275 0.278953 -102.054 -56.9317 -126.252 # jumping subtree containing T0136:S 10 (9) jump= 0.479358 0.386864 0.545265 0.568541 98.2014 29.8029 -109.638 # generation 62: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0589 cost/residue, 108 clashes 0.0275549 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 227 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 268 ## OptSubtree 792 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.605916 -0.656941 -0.318101 0.316396 -152.474 108.177 -213.03 # jumping subtree containing T0136:A 1 (0) jump= 0.134392 0.345983 0.550614 -0.747702 -70.5395 -149.772 -111.72 # jumping subtree containing T0136:Q 38 (37) jump= -0.910867 0.127351 0.0238345 0.391836 28.8523 51.0437 -11.7455 # jumping subtree containing T0136:P 56 (55) jump= -0.845938 0.0976746 -0.394118 -0.345716 79.2336 52.4448 -58.9026 # jumping subtree containing T0136:Q 38 (37) jump= 0.217344 0.807117 0.324774 -0.442544 -62.0188 -92.601 -232.194 # jumping subtree containing T0136:A 78 (77) jump= 0.550448 -0.428544 -0.550805 -0.458225 -47.9909 151.283 -109.589 # generation 63: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0508 cost/residue, 109 clashes 0.0275541 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 234 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 271 ## OptSubtree 813 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.989921 0.0834769 -0.0896773 -0.0710334 -35.4334 -19.9387 7.15754 # jumping subtree containing T0136:A 78 (77) jump= -0.99671 -0.049833 0.0283556 0.0572842 -7.28381 12.1328 0.595679 # jumping subtree containing T0136:A 1 (0) jump= 0.67805 -0.303232 0.212757 0.634849 -38.742 117.849 -32.099 # jumping subtree containing T0136:G 42 (41) jump= -0.0955992 0.341456 0.41843 -0.836173 -63.1231 -101.551 -93.385 # jumping subtree containing T0136:A 78 (77) jump= 0.939617 -0.101523 0.151458 -0.289608 70.0476 7.52488 -26.8539 # jumping subtree containing T0136:A 78 (77) jump= -0.388963 0.590296 0.688136 -0.163485 -84.8032 19.1132 -302.89 # jumping subtree containing T0136:E 17 (16) jump= -0.0609959 -0.187668 0.96257 0.185795 -60.8161 53.8938 -283.375 # jumping subtree containing T0136:A 78 (77) jump= 0.955912 -0.0638171 -0.273241 0.0865955 -73.0759 13.8175 -27.0075 # jumping subtree containing T0136:G 42 (41) jump= 0.971079 0.0632775 -0.179827 0.143749 -46.731 -38.6008 14.2775 # generation 64: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0508 cost/residue, 109 clashes 0.0275541 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 241 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 273 ## OptSubtree 835 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.23515 -0.812147 -0.0151821 -0.533751 134.204 -60.4283 -179.071 # jumping subtree containing T0136:A 78 (77) jump= -0.702347 0.455609 0.444669 -0.318433 -166.385 83.8727 -119.339 # jumping subtree containing T0136:A 78 (77) jump= 0.839465 -0.00863616 -0.307374 0.448046 -82.5326 -41.0095 -43.7436 # jumping subtree containing T0136:A 1 (0) jump= -0.379272 0.696446 0.603419 -0.0836742 -67.9111 66.8232 -276.176 # jumping subtree containing T0136:A 78 (77) jump= 0.994477 -0.0736768 0.011514 0.0738552 7.72093 1.08339 -15.2194 # jumping subtree containing T0136:D 60 (59) jump= 0.770432 0.307229 0.304855 -0.468091 31.871 -139.46 -61.959 # jumping subtree containing T0136:Q 38 (37) jump= 0.979075 0.0993458 -0.0856556 -0.15558 -41.7452 -10.8113 12.7859 # generation 65: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0507 cost/residue, 109 clashes 0.0275541 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 247 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 276 ## OptSubtree 857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.496359 0.225316 0.517614 0.659497 -58.8483 132.056 -70.9698 # jumping subtree containing T0136:T 45 (44) jump= -0.123233 0.101633 -0.925755 0.342728 71.6564 -123.342 -315.489 # jumping subtree containing T0136:T 70 (69) jump= 0.535176 0.514195 0.620506 0.253304 116.706 -32.2741 -224.772 # jumping subtree containing T0136:T 45 (44) jump= 0.992924 0.0939332 0.0252322 0.0681327 -7.56235 -30.2159 -4.0763 # jumping subtree containing T0136:A 9 (8) jump= -0.777649 0.453391 -0.126967 -0.416626 -50.427 119.405 -65.9522 # jumping subtree containing T0136:A 9 (8) jump= 0.999988 0.000333093 -0.00394193 -0.00280512 -7.98918 5.06878 -7.03423 # generation 66: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0507 cost/residue, 109 clashes 0.0275547 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 254 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 277 ## OptSubtree 873 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= 0.994854 -0.0303517 -0.078324 -0.0566475 -25.7286 19.1654 -23.3125 # jumping subtree containing T0136:A 78 (77) jump= 0.561239 -0.368804 -0.601023 0.43332 -150.241 17.9844 -120.124 # jumping subtree containing T0136:T 70 (69) jump= 0.398439 0.124636 -0.146787 -0.896753 -91.2393 41.7539 9.38145 # jumping subtree containing T0136:A 78 (77) jump= 0.572021 -0.804292 -0.0300254 0.158131 -40.0745 153.276 -184.324 # jumping subtree containing T0136:A 78 (77) jump= -0.904853 0.282543 -0.233446 0.216594 79.4647 37.2679 -66.9729 # jumping subtree containing T0136:P 56 (55) jump= -0.471157 0.615247 0.182913 0.605 105.142 173.823 -132.624 # jumping subtree containing T0136:A 78 (77) jump= 0.319624 0.223109 -0.894997 0.216896 -106.119 -69.4829 -247.222 # jumping subtree containing T0136:A 78 (77) jump= -0.999499 -0.00335547 -0.0210706 0.0233665 -6.05359 -6.11555 11.8414 # jumping subtree containing T0136:A 78 (77) jump= 0.809312 0.210151 -0.218103 0.503271 -34.387 -84.2419 -29.4021 # jumping subtree containing T0136:A 78 (77) jump= -0.616674 -0.721639 0.286225 0.130484 -83.2878 -142.718 -207.499 # generation 67: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0507 cost/residue, 109 clashes 0.0275541 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 261 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 278 ## OptSubtree 894 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.996137 -0.0265891 -0.0456375 0.0701511 30.1481 -4.43281 9.77001 # jumping subtree containing T0136:G 42 (41) jump= -0.949173 -0.247789 0.0931354 -0.170288 -13.2432 -58.9801 -27.4538 # jumping subtree containing T0136:T 70 (69) jump= 0.938526 0.329013 -0.103804 0.0120082 -18.6862 -115.116 -64.9751 # jumping subtree containing T0136:K 7 (6) jump= -0.930925 -0.0634071 -0.140612 0.331039 39.5126 -60.7434 4.17309 # jumping subtree containing T0136:T 70 (69) jump= 0.911927 -0.0835616 0.358694 0.180958 128.728 58.902 -45.7448 # jumping subtree containing T0136:M 75 (74) jump= 0.458217 -0.235672 0.0866596 0.852635 -93.1373 63.4968 -33.3552 # jumping subtree containing T0136:Q 38 (37) jump= 0.99103 0.00965936 0.119552 -0.058939 54.6905 16.6293 8.66864 # jumping subtree containing T0136:Q 38 (37) jump= 0.350369 0.317646 0.846684 0.243862 104.639 26.5931 -276.511 # generation 68: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0478 cost/residue, 109 clashes 0.0275543 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 266 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 278 ## OptSubtree 919 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= -0.0677686 -0.719583 -0.670386 0.167899 -10.3908 -61.0408 -355.191 # jumping subtree containing T0136:E 36 (35) jump= -0.204509 -0.263458 -0.630802 0.700611 -25.0237 -135.578 -160.658 # jumping subtree containing T0136:A 78 (77) jump= -0.960945 0.0195676 0.262278 0.0860942 -101.771 15.8089 -6.8195 # jumping subtree containing T0136:P 56 (55) jump= -0.030125 0.392568 -0.0725382 -0.916363 -118.182 44.3269 -35.9456 # generation 69: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0477 cost/residue, 109 clashes 0.0275547 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 268 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 279 ## OptSubtree 940 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= 0.66548 0.707801 0.0917074 -0.218505 -29.6488 -136.045 -155.285 # jumping subtree containing T0136:G 42 (41) jump= 0.748362 0.146743 -0.442885 -0.471459 -125.958 45.3851 -105.69 # jumping subtree containing T0136:Q 38 (37) jump= -0.436421 -0.812114 0.387268 0.00549657 -26.6257 -95.9449 -286.335 # jumping subtree containing T0136:A 78 (77) jump= -0.906328 0.295244 0.0401716 -0.299645 -20.2225 79.2115 -42.0132 # jumping subtree containing T0136:A 78 (77) jump= -0.682609 0.486266 0.492477 -0.234639 -157.217 68.8099 -155.602 # jumping subtree containing T0136:T 70 (69) jump= -0.500995 -0.848113 -0.122238 0.121517 -15.2391 -136.229 -235.91 # jumping subtree containing T0136:P 56 (55) jump= 0.637365 0.600707 -0.463427 -0.134735 -103.458 -106.471 -225.426 # jumping subtree containing T0136:G 42 (41) jump= 0.277918 0.391424 0.442061 -0.757714 -45.848 -139.955 -107.017 # generation 70: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0465 cost/residue, 109 clashes 0.0275542 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 273 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 287 ## OptSubtree 964 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.692267 0.550245 0.300508 -0.35734 -128.476 120.652 -109.185 # jumping subtree containing T0136:P 56 (55) jump= 0.54624 0.01257 0.799822 0.248492 149.203 78.4196 -226.801 # jumping subtree containing T0136:A 78 (77) jump= 0.980528 -0.193331 0.0325978 0.0112167 -1.9251 57.4886 -35.9078 # jumping subtree containing T0136:P 56 (55) jump= -0.965069 0.217856 -0.0929989 -0.111946 27.9353 85.4844 -24.1797 # jumping subtree containing T0136:D 55 (54) jump= -0.572679 0.607213 0.548559 -0.0491288 -120.726 115.671 -251.066 # jumping subtree containing T0136:L 8 (7) jump= 0.313669 -0.754698 -0.510866 -0.266567 5.72985 117.883 -282.094 # jumping subtree containing T0136:G 42 (41) jump= -0.181642 0.606693 -0.445085 0.63311 164.509 -46.5311 -185.582 # generation 71: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0465 cost/residue, 109 clashes 0.0275547 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 278 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 291 ## OptSubtree 985 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 78 (77) jump= -0.968746 0.20229 -0.00713247 -0.143388 -0.0898275 66.8405 4.13151 # jumping subtree containing T0136:T 70 (69) jump= 0.081548 -0.188404 0.0129855 -0.978614 42.5927 55.2642 4.58813 # jumping subtree containing T0136:A 78 (77) jump= 0.750396 -0.573749 -0.235761 -0.228332 -0.95293 162.753 -133.708 # jumping subtree containing T0136:G 42 (41) jump= 0.845175 -0.441354 0.178279 0.243108 27.4228 139.164 -71.7493 # jumping subtree containing T0136:A 78 (77) jump= 0.958951 0.0238289 0.103664 -0.262867 31.1521 -38.8607 -4.76992 # jumping subtree containing T0136:A 78 (77) jump= 0.0448411 -0.539565 0.258981 0.799867 -119.446 74.6255 -130.566 # jumping subtree containing T0136:A 78 (77) jump= -0.778723 -0.492231 -0.295285 0.253192 40.2946 -159.035 -121.706 # jumping subtree containing T0136:Q 38 (37) jump= -0.952031 -0.084153 -0.292889 0.027782 84.5687 -17.7958 -58.5149 # jumping subtree containing T0136:P 56 (55) jump= 0.492543 -0.23276 -0.547031 0.635596 -119.401 -88.6555 -107.233 # generation 72: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 56.0464 cost/residue, 109 clashes 0.0275533 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 286 ## CrossAndInsert 30 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 296 ## OptSubtree 1005 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.961491 0.254173 0.100768 -0.0278843 28.8368 -61.9715 -14.1894 # jumping subtree containing T0136:G 42 (41) jump= -0.91887 -0.024997 0.224942 0.323194 -80.6117 1.4722 -27.9912 # jumping subtree containing T0136:G 42 (41) jump= 0.885815 -0.0452596 -0.455625 -0.0754323 -164.121 33.84 -84.0562 # jumping subtree containing T0136:A 78 (77) jump= 0.92247 -0.170996 -0.120469 -0.324495 -28.6955 66.3618 5.91128 # jumping subtree containing T0136:A 78 (77) jump= 0.599445 0.313706 -0.435284 -0.593955 -160.563 31.8495 -110.248 # generation 73: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.9884 cost/residue, 118 clashes 0.0275546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 291 ## CrossAndInsert 31 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 299 ## OptSubtree 1026 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.965852 0.0574636 0.101107 0.231527 -44.1506 49.9697 -3.19056 # jumping subtree containing T0136:Q 38 (37) jump= -0.585426 -0.102485 -0.725684 0.346635 165.143 -115.511 -188.238 # jumping subtree containing T0136:D 55 (54) jump= 0.170381 0.577583 -0.137727 0.786384 145.823 -64.7017 -103.039 # jumping subtree containing T0136:P 56 (55) jump= 0.949107 0.0771449 0.129299 0.276635 42.3073 12.3462 -22.4805 # jumping subtree containing T0136:T 45 (44) jump= -0.813716 -0.45134 -0.22006 0.292801 16.9793 -128.105 -85.9457 # jumping subtree containing T0136:Q 38 (37) jump= 0.810916 -0.186088 0.454699 0.317861 110.191 111.912 -61.1441 # jumping subtree containing T0136:A 78 (77) jump= -0.92105 0.265135 0.0105993 -0.285059 -39.0999 72.9908 -27.6591 # jumping subtree containing T0136:G 42 (41) jump= 0.237684 -0.392072 -0.451573 0.76542 -122.497 -67.2381 -127.994 # jumping subtree containing T0136:T 70 (69) jump= -0.374531 0.676583 0.623076 0.117212 -60.1737 141.265 -248.803 # jumping subtree containing T0136:Q 38 (37) jump= 0.296979 -0.612635 0.167356 0.713074 -100.711 132.82 -134.131 # jumping subtree containing T0136:A 1 (0) jump= -0.731219 -0.120589 -0.646564 0.18092 144.659 -54.4899 -176.735 # jumping subtree containing T0136:A 78 (77) jump= -0.998689 -0.0354789 -0.034861 -0.0120698 -11.7653 0.613984 -0.0752438 # generation 74: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.9883 cost/residue, 118 clashes 0.0275548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 296 ## CrossAndInsert 31 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 306 ## OptSubtree 1050 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.992238 0.0898716 0.0852943 -0.0105666 -37.9433 34.5972 -30.7607 # jumping subtree containing T0136:T 70 (69) jump= 0.21963 -0.178003 0.958172 -0.0445331 46.3657 -30.3493 -306.687 # jumping subtree containing T0136:Q 38 (37) jump= 0.369104 -0.168311 0.0438619 -0.912967 93.4451 40.4888 -28.965 # jumping subtree containing T0136:Q 38 (37) jump= -0.892833 0.12594 0.0279712 -0.431515 -18.072 68.918 -1.14065 # jumping subtree containing T0136:A 1 (0) jump= 0.759539 0.109269 0.640981 -0.0174264 178.588 -22.443 -159.649 # generation 75: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.9883 cost/residue, 118 clashes 0.0275548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 301 ## CrossAndInsert 31 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 311 ## OptSubtree 1072 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.463041 0.407827 -0.772387 -0.150628 96.9805 112.543 -258.918 # jumping subtree containing T0136:G 42 (41) jump= 0.595441 -0.222728 -0.378143 0.672942 -133.812 -69.0681 -75.8388 # jumping subtree containing T0136:T 45 (44) jump= 0.976279 0.0890482 -0.116275 0.159465 -24.3944 -31.4175 -18.1881 # jumping subtree containing T0136:T 70 (69) jump= 0.558171 0.4096 0.194234 0.694943 128.336 -3.01312 -57.1617 # jumping subtree containing T0136:T 70 (69) jump= -0.887655 -0.212451 0.0932864 0.397782 -38.3697 -34.0539 -41.5791 # jumping subtree containing T0136:T 70 (69) jump= 0.349801 0.746682 -0.553434 -0.11754 -86.4733 -53.2057 -301.678 # jumping subtree containing T0136:T 45 (44) jump= -0.997653 -0.0406755 0.049345 0.0244753 -16.8656 -21.3973 15.5917 # jumping subtree containing T0136:A 1 (0) jump= 0.981489 -0.0943381 -0.0318942 0.163591 -32.4322 23.6106 11.2361 # generation 76: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.9883 cost/residue, 118 clashes 0.0275548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 303 ## CrossAndInsert 31 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 316 ## OptSubtree 1092 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.95938 0.000753834 -0.28207 0.005115 66.6153 -9.00293 -8.68427 # jumping subtree containing T0136:P 56 (55) jump= 0.679134 -0.415373 0.200515 -0.570996 145.208 60.3428 -50.9919 # jumping subtree containing T0136:G 42 (41) jump= 0.999829 0.00528367 -0.00409882 0.0172666 -22.0901 -12.9327 7.06427 # jumping subtree containing T0136:T 70 (69) jump= -0.951033 0.304825 0.0143032 0.049129 2.2651 106.173 -17.0185 # jumping subtree containing T0136:T 45 (44) jump= 0.924585 0.312325 0.0768596 -0.204178 -9.8358 -114.7 -19.2749 # jumping subtree containing T0136:G 42 (41) jump= -0.0298584 -0.225598 -0.105648 0.968015 -62.0171 -14.78 8.02679 # generation 77: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.9883 cost/residue, 118 clashes 0.0275548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 310 ## CrossAndInsert 31 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 317 ## OptSubtree 1108 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:E 13 (12) jump= -0.999242 0.035982 -0.0129242 -0.00731872 13.3882 6.12909 13.3722 # jumping subtree containing T0136:T 70 (69) jump= 0.229406 0.607353 0.753205 -0.105723 -1.79942 -55.5093 -295.361 # jumping subtree containing T0136:T 45 (44) jump= -0.990512 0.025428 -0.047671 0.126357 6.38945 17.3515 25.2525 # jumping subtree containing T0136:T 70 (69) jump= 0.957571 0.083868 0.0515542 0.270861 11.0444 -33.5911 -14.5544 # jumping subtree containing T0136:Q 38 (37) jump= 0.989158 0.067802 0.0485239 -0.120892 12.1927 -29.5461 6.05084 # jumping subtree containing T0136:N 52 (51) jump= 0.361909 -0.558733 0.535425 0.519769 -27.478 212.534 -203.372 # jumping subtree containing T0136:T 70 (69) jump= -0.162237 -0.581093 0.0458503 0.796183 -186.085 -23.9753 -120.061 # generation 78: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.9883 cost/residue, 118 clashes 0.0275548 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 252 ## TwoFragment 0 ## CrossOver 319 ## CrossAndInsert 31 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 317 ## OptSubtree 1123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 45 (44) jump= 0.987238 -0.0208677 0.141306 0.070415 31.168 7.13839 -12.4239 # jumping subtree containing T0136:V 79 (78) jump= 0.747436 -0.618949 -0.104456 0.217555 -85.7379 147.244 -133.593 # jumping subtree containing T0136:V 25 (24) jump= 0.0285945 0.804022 -0.502405 0.316735 88.6442 -82.0796 -323.005 # jumping subtree containing T0136:L 72 (71) jump= -0.27002 0.352792 0.311911 0.839844 64.7139 142.952 -68.2206 # jumping subtree containing T0136:G 42 (41) jump= 0.685005 0.287445 0.228633 0.629183 170.018 -22.8685 -66.6018 # jumping subtree containing T0136:L 72 (71) jump= 0.288282 0.76891 -0.570675 -0.000829146 -41.3679 -79.1663 -312.501 # jumping subtree containing T0136:L 72 (71) jump= 0.67007 0.0517365 0.660176 0.335407 155.15 67.78 -159.621 # jumping subtree containing T0136:E 17 (16) jump= 0.157221 0.636811 0.423873 0.624568 154.86 41.1904 -197.102 # jumping subtree containing T0136:Q 24 (23) jump= -0.470369 -0.573104 -0.146061 -0.654958 154.969 -60.9143 -95.1433 # jumping subtree containing T0136:P 56 (55) jump= -0.989631 0.0845969 0.00892447 0.115733 3.11258 21.3676 3.18586 # generation 79: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6194 cost/residue, 100 clashes 0.0275534 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 326 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 317 ## OptSubtree 1138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 76 (75) jump= -0.0716217 -0.666872 0.650183 0.35695 -90.0416 65.4042 -277.912 # jumping subtree containing T0136:G 42 (41) jump= 0.599843 0.258607 -0.757172 -0.000902307 -152.998 -53.5188 -222.824 # jumping subtree containing T0136:D 76 (75) jump= -0.975477 -0.109096 0.191104 -0.00477081 -67.4784 -60.2474 -22.8634 # jumping subtree containing T0136:T 70 (69) jump= -0.156793 0.387537 0.27297 0.86644 72.1257 97.9408 -51.6952 # jumping subtree containing T0136:T 45 (44) jump= 0.382597 -0.353432 0.498715 0.692812 -3.24938 176.871 -118.582 # jumping subtree containing T0136:D 76 (75) jump= -0.908993 0.385525 0.0561029 0.148173 7.99462 111.645 -63.3303 # jumping subtree containing T0136:E 17 (16) jump= 0.528532 -0.043126 -0.73834 0.416711 -116.627 -70.8788 -162.686 # jumping subtree containing T0136:T 45 (44) jump= -0.972745 -0.211934 -0.0890363 -0.0303951 55.8152 -67.4481 -21.6629 # jumping subtree containing T0136:N 3 (2) jump= -0.694519 -0.69281 -0.168038 0.0970578 6.35871 -175.002 -136.04 # jumping subtree containing T0136:T 70 (69) jump= 0.3498 -0.42968 0.0293927 0.831957 -143.242 55.6297 -57.1341 # generation 80: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6191 cost/residue, 100 clashes 0.0275542 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 330 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 320 ## OptSubtree 1157 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:R 69 (68) jump= 0.995864 -0.0219081 0.00288075 0.0881332 19.0426 -15.9834 -3.95875 # jumping subtree containing T0136:G 42 (41) jump= -0.190466 0.799857 0.555749 -0.122859 -71.4668 45.6309 -352.5 # jumping subtree containing T0136:Q 38 (37) jump= -0.912897 0.267412 0.00549945 -0.30835 -23.9286 96.0035 5.79448 # jumping subtree containing T0136:D 76 (75) jump= -0.439073 0.299354 0.510672 0.675881 -24.6078 153.285 -130.148 # jumping subtree containing T0136:Q 38 (37) jump= -0.715815 -0.678081 -0.162412 -0.0379052 74.5428 -170.694 -196.792 # jumping subtree containing T0136:Q 38 (37) jump= -0.426033 -0.301072 -0.705985 0.478995 9.53253 -130.277 -182.214 # jumping subtree containing T0136:A 1 (0) jump= 0.0988813 0.495664 0.860987 -0.0569329 45.3709 -42.1397 -327.112 # jumping subtree containing T0136:G 42 (41) jump= -0.955064 -0.030738 -0.271206 0.115566 84.6505 -27.6824 -43.4362 # jumping subtree containing T0136:D 55 (54) jump= -0.114071 -0.788735 -0.585464 0.148719 -2.58561 -58.4847 -361.215 # generation 81: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6191 cost/residue, 100 clashes 0.027554 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 332 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 330 ## OptSubtree 1181 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.746593 -0.641869 0.174898 0.0037384 -52.9055 -189.522 -164.627 # jumping subtree containing T0136:T 70 (69) jump= 0.388002 0.185197 0.541153 -0.72271 -20.8828 -138.246 -111.314 # jumping subtree containing T0136:Q 38 (37) jump= 0.838326 0.305506 0.149649 -0.426006 -38.0972 -99.3514 -26.7957 # jumping subtree containing T0136:G 42 (41) jump= 0.567103 -0.626895 0.472555 0.249176 100.613 215.267 -204.575 # jumping subtree containing T0136:P 56 (55) jump= -0.957044 0.102749 0.263665 -0.0631669 -69.675 38.7796 -38.7644 # jumping subtree containing T0136:D 55 (54) jump= 0.16991 -0.644554 0.72479 0.17424 24.1578 114.341 -348.801 # jumping subtree containing T0136:Q 38 (37) jump= 0.937691 0.230459 -0.153746 0.209727 -4.57648 -78.6975 -40.0771 # jumping subtree containing T0136:D 55 (54) jump= -0.996494 0.058639 -0.0573683 0.0164552 15.9033 27.8842 -7.69496 # jumping subtree containing T0136:A 1 (0) jump= 0.557344 -0.609435 0.172651 -0.536795 162.93 86.8109 -117.921 # jumping subtree containing T0136:N 3 (2) jump= 0.937638 -0.135836 0.305102 0.0964203 93.4294 72.3842 -25.5675 # generation 82: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.619 cost/residue, 100 clashes 0.0275536 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 332 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 334 ## OptSubtree 1204 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:T 70 (69) jump= -0.998916 -0.0196298 -0.0029923 0.0420983 1.24212 -22.2473 8.34631 # jumping subtree containing T0136:A 1 (0) jump= -0.431899 -0.127741 -0.695272 0.560127 78.6247 -152.262 -164.205 # jumping subtree containing T0136:T 70 (69) jump= 0.175952 -0.88986 0.166225 -0.386729 139.199 39.2435 -357.297 # Removing break before 37 # jumping subtree containing T0136:M 12 (11) jump= 0.694173 -0.570435 -0.172405 -0.403739 25.2014 179.63 -98.7015 # jumping subtree containing T0136:D 55 (54) jump= 0.989614 0.0861133 0.0195193 -0.113439 8.50231 -18.2363 -2.82944 # jumping subtree containing T0136:P 56 (55) jump= 0.484845 0.496544 -0.185887 -0.695568 -119.36 -11.7214 -114.807 # jumping subtree containing T0136:N 52 (51) jump= -0.779144 0.17723 0.0298477 0.600527 9.77177 66.5748 15.5052 # jumping subtree containing T0136:D 55 (54) jump= 0.369798 -0.77704 0.508535 0.029153 44.7355 108.713 -299.086 # jumping subtree containing T0136:Q 38 (37) jump= -0.999787 -0.00219848 -0.0126046 0.0162028 8.45358 -19.3901 -9.94088 # Removing break before 41 # jumping subtree containing T0136:G 42 (41) jump= 0.989814 -0.106063 -0.0793133 -0.0522421 -43.2984 69.1017 -13.9197 # generation 83: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.619 cost/residue, 100 clashes 0.0275539 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 340 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 334 ## OptSubtree 1220 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= 0.529796 0.822887 0.202811 -0.0322665 30.574 -139.709 -315.071 # jumping subtree containing T0136:P 56 (55) jump= -0.0392118 -0.207863 -0.458988 -0.862894 117.57 168.748 -126.995 # jumping subtree containing T0136:P 56 (55) jump= -0.0866746 0.750018 0.399504 0.519959 148.992 109.7 -286.511 # jumping subtree containing T0136:P 56 (55) jump= -0.970294 0.17298 0.159475 -0.0563437 -85.5215 47.3902 -14.067 # jumping subtree containing T0136:T 70 (69) jump= 0.9745 0.206939 0.00322516 -0.0866964 0.0977764 -75.2715 -26.0968 # jumping subtree containing T0136:T 70 (69) jump= -0.249877 -0.879915 -0.314852 0.253337 -40.9891 -88.8987 -304.844 # jumping subtree containing T0136:T 70 (69) jump= -0.337711 0.285162 -0.36365 0.819995 139.882 -25.231 -54.5281 # jumping subtree containing T0136:P 56 (55) jump= -0.997482 -0.0676102 0.0209577 -0.00436956 -19.2019 -38.684 -17.4828 # generation 84: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6187 cost/residue, 100 clashes 0.0275546 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 344 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 334 ## OptSubtree 1248 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:G 42 (41) jump= -0.968726 -0.244115 0.000175191 -0.044465 15.3238 -74.1015 -10.2632 # jumping subtree containing T0136:M 12 (11) jump= -0.862357 0.254235 -0.323563 -0.294978 81.0289 113.666 -28.4109 # jumping subtree containing T0136:R 69 (68) jump= -0.861813 0.291073 -0.162887 -0.38213 21.3238 102.571 -0.145992 # jumping subtree containing T0136:T 70 (69) jump= -0.938279 0.00657193 0.311521 0.150145 -111.316 1.79321 -24.5531 # jumping subtree containing T0136:T 70 (69) jump= -0.976164 0.156966 0.118075 -0.0923228 -69.5073 43.0823 -18.681 # jumping subtree containing T0136:G 42 (41) jump= -0.556212 0.289322 -0.611316 -0.482922 113.384 174.052 -153.437 # generation 85: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6187 cost/residue, 100 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 350 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 338 ## OptSubtree 1269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.506149 -0.170089 -0.422983 -0.732099 1.70139 192.41 -108.32 # jumping subtree containing T0136:A 1 (0) jump= -0.885702 0.456078 0.0682074 0.053591 -12.8992 140.286 -57.985 # jumping subtree containing T0136:Q 38 (37) jump= -0.858078 0.141911 0.268264 0.414243 -88.4684 88.162 -47.008 # jumping subtree containing T0136:A 1 (0) jump= 0.913942 0.252124 0.25882 -0.184812 85.5823 -113.308 -43.2185 # generation 86: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6187 cost/residue, 100 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 354 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 338 ## OptSubtree 1290 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:V 79 (78) jump= -0.249375 0.145776 -0.24575 -0.925294 -2.38404 123.751 -16.2862 # jumping subtree containing T0136:P 56 (55) jump= 0.788087 -0.487028 -0.229011 0.29879 -96.5732 106.251 -107.939 # jumping subtree containing T0136:P 56 (55) jump= 0.266515 0.688764 0.0113752 0.674126 152.422 -10.8017 -147.915 # jumping subtree containing T0136:T 70 (69) jump= 0.839964 -0.0586104 -0.472766 -0.259843 -140.267 59.598 -68.9493 # jumping subtree containing T0136:T 70 (69) jump= 0.973292 -0.0719605 -0.173963 -0.13138 -48.8756 35.7311 -36.9738 # jumping subtree containing T0136:A 1 (0) jump= -0.205056 0.474566 0.827447 -0.219252 -81.5253 -25.5697 -322.668 # jumping subtree containing T0136:G 42 (41) jump= -0.925353 -0.0780721 -0.295678 0.224055 84.3178 -34.5145 -17.2195 # jumping subtree containing T0136:P 56 (55) jump= 0.778133 0.591834 0.183386 -0.10301 12.6819 -159.998 -122.374 # jumping subtree containing T0136:L 54 (53) jump= 0.477016 0.529599 0.344357 0.611064 161.901 -12.3605 -130.764 # jumping subtree containing T0136:T 70 (69) jump= 0.848618 0.203396 -0.0105486 -0.488227 -24.0931 -56.979 4.80608 # jumping subtree containing T0136:T 70 (69) jump= 0.247502 0.859479 -0.446788 -0.0204878 -46.0766 -57.8843 -360.244 # generation 87: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6187 cost/residue, 100 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 364 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 338 ## OptSubtree 1305 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:N 52 (51) jump= -0.177732 -0.570889 -0.692398 -0.403834 184.792 45.4214 -314.701 # jumping subtree containing T0136:T 70 (69) jump= -0.854883 0.0733994 0.387085 -0.337569 -122.634 -29.1636 -34.3795 # jumping subtree containing T0136:Q 38 (37) jump= -0.932194 0.131672 -0.0777703 0.328069 37.7801 21.4026 18.9925 # jumping subtree containing T0136:A 9 (8) jump= -0.946107 -0.296869 0.055622 -0.116863 -14.6385 -103.979 -27.2575 # jumping subtree containing T0136:T 70 (69) jump= -0.797415 0.108525 -0.59349 0.0109729 182.25 36.7059 -104.088 # jumping subtree containing T0136:Q 38 (37) jump= -0.03204 -0.573903 -0.398232 0.714857 -182.112 -114.815 -182.902 # jumping subtree containing T0136:T 70 (69) jump= -0.72445 0.381993 0.000661427 -0.573806 -77.0767 77.5674 -23.4755 # jumping subtree containing T0136:T 70 (69) jump= 0.637251 0.161814 -0.712759 0.244338 -143.606 -104.944 -182.247 # generation 88: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.6187 cost/residue, 100 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 253 ## TwoFragment 0 ## CrossOver 374 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 338 ## OptSubtree 1319 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.976582 -0.0639131 0.166206 0.12074 -79.1044 -18.2189 -14.8256 # jumping subtree containing T0136:A 20 (19) jump= 0.402792 0.562411 0.198422 -0.694321 -87.847 -113.185 -99.1811 # jumping subtree containing T0136:G 42 (41) jump= 0.902113 0.130391 -0.315583 0.263812 -83.3055 -94.9123 -82.8581 # jumping subtree containing T0136:A 1 (0) jump= 0.681643 -0.274245 -0.655289 -0.175351 -132.667 135.99 -233.629 # jumping subtree containing T0136:P 56 (55) jump= 0.976653 -0.125524 0.144487 0.0975488 58.4108 27.1121 13.9362 # jumping subtree containing T0136:T 70 (69) jump= -0.248237 -0.520863 -0.781636 0.236906 -20.0061 -76.6866 -292.504 # jumping subtree containing T0136:L 72 (71) jump= -0.895116 0.341737 -0.0162021 0.285867 7.57345 132.678 -28.1819 # jumping subtree containing T0136:G 42 (41) jump= -0.432435 0.158864 0.708773 0.534232 -4.37101 197.673 -233.898 # jumping subtree containing T0136:G 42 (41) jump= 0.829927 -0.425559 -0.100862 0.346334 -47.3855 97.7749 -52.5753 # jumping subtree containing T0136:T 70 (69) jump= 0.0916077 -0.748491 0.497162 0.429184 -94.1307 122.101 -281.286 # generation 89: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.4781 cost/residue, 113 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 255 ## TwoFragment 0 ## CrossOver 382 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 338 ## OptSubtree 1333 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:Q 38 (37) jump= 0.314856 0.802241 0.418729 -0.286252 -19.1425 -138.907 -258.445 # Removing break before 41 # jumping subtree containing T0136:T 70 (69) jump= 0.127414 0.224339 -0.618534 -0.742195 -69.9999 171.954 -187.351 # jumping subtree containing T0136:A 1 (0) jump= 0.970848 -0.106793 -0.0536118 0.207787 -22.8717 31.6405 11.7932 # jumping subtree containing T0136:G 42 (41) jump= 0.995908 -0.0291344 0.0126704 0.084602 8.40417 -6.05882 4.5979 # jumping subtree containing T0136:K 37 (36) jump= -0.328081 -0.553081 -0.403289 -0.651016 207.94 25.9224 -191.169 # jumping subtree containing T0136:T 70 (69) jump= -0.441445 0.663276 -0.0911776 -0.597393 -123.389 123.458 -124.023 # jumping subtree containing T0136:T 70 (69) jump= 0.725118 0.652962 -0.0855718 0.2013 21.2586 -188.977 -183.982 # jumping subtree containing T0136:G 42 (41) jump= 0.173236 0.952224 0.0565703 -0.245069 -82.378 -61.6615 -351.764 # jumping subtree containing T0136:T 70 (69) jump= -0.633541 0.517394 0.235768 0.524732 57.8538 194.782 -121.416 # jumping subtree containing T0136:Q 38 (37) jump= 0.128053 0.710797 -0.181042 0.667529 207.385 -46.3368 -223.449 # jumping subtree containing T0136:G 63 (62) jump= -0.996028 -0.0464328 -0.0210466 0.0730012 -17.6764 -0.941582 -8.31105 # jumping subtree containing T0136:Q 38 (37) jump= -0.571146 0.0999477 -0.133775 -0.803684 37.4451 54.6386 0.593457 # generation 90: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.4781 cost/residue, 113 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 255 ## TwoFragment 0 ## CrossOver 384 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 342 ## OptSubtree 1361 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.370059 -0.713446 -0.143717 0.577406 -152.891 71.0027 -193.073 # jumping subtree containing T0136:G 42 (41) jump= -0.609101 0.342414 0.715106 -0.0193133 -141.138 51.5024 -286.912 # jumping subtree containing T0136:A 1 (0) jump= -0.427831 0.161014 0.219411 0.861913 66.9458 114.509 -51.6324 # jumping subtree containing T0136:P 56 (55) jump= -0.349605 -0.229189 -0.837353 0.352263 116.278 -140.433 -259.416 # jumping subtree containing T0136:E 61 (60) jump= -0.970367 0.153847 -0.150265 0.110179 59.0604 29.8184 -11.8353 # jumping subtree containing T0136:T 70 (69) jump= -0.999336 0.0339816 -0.00102213 -0.013138 -1.67361 33.2365 8.3608 # jumping subtree containing T0136:P 56 (55) jump= 0.0248432 0.566218 -0.310762 -0.763025 -136.852 95.2716 -150.154 # Removing break before 41 # jumping subtree containing T0136:P 56 (55) jump= -0.955563 0.183735 0.0140385 -0.230096 -28.3241 67.4026 -8.54633 # generation 91: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.4707 cost/residue, 113 clashes 0.0275538 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 255 ## TwoFragment 0 ## CrossOver 391 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 344 ## OptSubtree 1384 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.604203 0.118081 -0.101075 -0.781524 33.4096 39.8827 22.9359 # jumping subtree containing T0136:P 56 (55) jump= -0.0434737 -0.335041 -0.56093 0.755788 -46.1849 -143.029 -114.386 # jumping subtree containing T0136:P 56 (55) jump= 0.357511 0.776066 0.389778 0.343483 159.931 -43.1209 -299.709 # jumping subtree containing T0136:A 1 (0) jump= -0.278338 0.223461 0.933797 0.0248283 -74.9946 7.93342 -360.504 # jumping subtree containing T0136:P 56 (55) jump= -0.928364 -0.370533 0.02272 -0.0181329 -10.0222 -137.446 -74.6562 # jumping subtree containing T0136:A 1 (0) jump= -0.00193976 -0.774965 -0.631996 0.00261814 4.98412 -28.6206 -394.692 # jumping subtree containing T0136:P 56 (55) jump= -0.0707857 -0.507156 -0.858303 -0.0331464 70.5727 -1.90211 -369.254 # jumping subtree containing T0136:Q 38 (37) jump= 0.819025 -0.554332 -0.11923 -0.0877402 -5.12473 195.179 -112.504 # jumping subtree containing T0136:P 56 (55) jump= 0.841664 -0.524503 0.102392 0.0775521 48.9757 181.985 -89.9797 # jumping subtree containing T0136:P 56 (55) jump= -0.583915 -0.0143775 0.733066 0.348497 -144.386 90.2264 -206.496 # generation 92: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.4706 cost/residue, 113 clashes 0.0275537 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 255 ## TwoFragment 0 ## CrossOver 394 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 353 ## OptSubtree 1406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:A 1 (0) jump= -0.941552 -0.231983 -0.0115205 0.243991 -14.0825 -99.2051 -1.11276 # jumping subtree containing T0136:G 42 (41) jump= -0.185427 0.761232 -0.572371 0.241938 174.541 91.731 -334.603 # jumping subtree containing T0136:G 42 (41) jump= 0.904164 0.194507 0.12228 -0.360141 7.16884 -32.4875 -10.0833 # jumping subtree containing T0136:P 56 (55) jump= 0.211153 -0.120571 0.951619 0.187879 95.9865 87.2043 -343.001 # jumping subtree containing T0136:P 56 (55) jump= 0.554812 0.0925915 -0.0566169 -0.824866 -31.0546 33.8263 3.30803 # jumping subtree containing T0136:Q 41 (40) jump= -0.580859 -0.0962702 0.3182 0.743023 -64.4569 110.715 -45.5525 # jumping subtree containing T0136:A 1 (0) jump= -0.394531 -0.309645 0.861316 0.0812393 -101.839 -26.2866 -325.953 # jumping subtree containing T0136:P 56 (55) jump= -0.883771 -0.165205 0.118125 -0.421548 -18.1389 -78.1087 -19.4228 # jumping subtree containing T0136:D 76 (75) jump= -0.913885 -0.225212 -0.249164 0.228061 62.0269 -87.3524 -44.3015 # jumping subtree containing T0136:A 1 (0) jump= -0.960706 -0.157027 -0.154885 0.168513 59.4615 -86.2282 -20.3959 # jumping subtree containing T0136:P 56 (55) jump= -0.989561 0.005148 0.143748 -0.00890822 -45.1568 -22.849 -26.2739 # jumping subtree containing T0136:P 56 (55) jump= 0.514223 -0.320818 -0.0879837 0.790512 -50.8312 54.5926 -23.4956 # jumping subtree containing T0136:G 42 (41) jump= -0.430137 -0.0153492 -0.869215 0.243334 184.268 -89.6906 -240.709 # jumping subtree containing T0136:N 52 (51) jump= 0.532523 -0.409637 0.499958 -0.546498 207.622 -0.602388 -160.047 # Removing break before 37 # jumping subtree containing T0136:Q 38 (37) jump= -0.157573 -0.058032 0.802047 -0.57317 62.4254 -153.571 -249.502 # generation 93: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.4705 cost/residue, 113 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 255 ## TwoFragment 0 ## CrossOver 400 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 357 ## OptSubtree 1427 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.041243 0.043259 0.197444 -0.97849 40.55 -21.8079 -21.7471 # jumping subtree containing T0136:P 56 (55) jump= -0.30535 0.0665683 -0.915945 0.251745 181.175 -57.086 -295.877 # jumping subtree containing T0136:G 42 (41) jump= -0.969268 0.0131132 0.0908896 -0.228225 -23.8285 -8.09394 14.0125 # jumping subtree containing T0136:P 56 (55) jump= 0.00592772 0.620112 0.558052 0.551366 141.125 119.138 -298.877 # jumping subtree containing T0136:P 56 (55) jump= 0.950734 -0.191211 0.224118 -0.0965089 76.4809 81.2733 -39.5057 # jumping subtree containing T0136:Q 38 (37) jump= 0.107756 0.342378 0.830755 -0.425455 28.3216 -142.806 -278.116 # jumping subtree containing T0136:G 42 (41) jump= 0.076584 -0.59762 0.550604 -0.577772 209.297 -38.682 -251.659 # jumping subtree containing T0136:Q 38 (37) jump= 0.137321 0.813786 0.564701 -0.002726 46.3947 -50.9166 -380.065 # jumping subtree containing T0136:Q 38 (37) jump= -0.590825 -0.379398 0.513856 -0.492885 -3.14777 -195.44 -189.426 # jumping subtree containing T0136:P 56 (55) jump= -0.0917485 0.757035 -0.595795 0.252009 132.213 3.48311 -323.373 # generation 94: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.4705 cost/residue, 113 clashes 0.0275535 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 255 ## TwoFragment 0 ## CrossOver 402 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 359 ## OptSubtree 1447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:D 55 (54) jump= 0.184594 -0.612209 -0.634683 -0.433939 84.2213 132.118 -290.523 # jumping subtree containing T0136:G 63 (62) jump= -0.82734 -0.32005 -0.461099 0.0215342 135.334 -109.941 -122.242 # jumping subtree containing T0136:A 1 (0) jump= -0.992386 -0.0855295 -0.0544935 -0.0698912 45.0476 -42.2727 -23.1727 # jumping subtree containing T0136:A 1 (0) jump= -0.76668 -0.22334 0.596077 0.083741 -163.334 -45.2138 -163.689 # jumping subtree containing T0136:G 63 (62) jump= 0.635758 -0.0462597 -0.198271 0.744553 -33.4081 -25.6288 -3.91338 # jumping subtree containing T0136:Q 38 (37) jump= -0.979568 0.0176698 0.0631421 0.190124 -20.2261 49.134 -14.267 # jumping subtree containing T0136:P 56 (55) jump= -0.871174 -0.220202 -0.283907 0.334609 74.0167 -78.1378 -20.0001 # jumping subtree containing T0136:Q 38 (37) jump= 0.170063 0.52799 0.434481 0.709599 187.878 58.8326 -201.96 # jumping subtree containing T0136:P 56 (55) jump= -0.430885 0.535475 0.107655 -0.718342 -149.061 62.4341 -69.48 # jumping subtree containing T0136:P 56 (55) jump= -0.459472 -0.26102 0.197469 0.825688 -77.6213 42.5779 -24.8682 # jumping subtree containing T0136:P 56 (55) jump= -0.477315 0.606696 -0.631293 -0.0745636 140.86 147.419 -234.222 # jumping subtree containing T0136:P 56 (55) jump= -0.259486 -0.870358 -0.120517 -0.400774 147.654 -44.7034 -308.383 # jumping subtree containing T0136:P 56 (55) jump= 0.999112 0.0356807 0.018588 -0.0125303 24.2677 -4.68514 -11.7678 # jumping subtree containing T0136:K 7 (6) jump= -0.382451 0.274824 0.87624 0.102008 -99.7504 62.2899 -319.454 # generation 95: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.3806 cost/residue, 115 clashes 0.0375296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 256 ## TwoFragment 0 ## CrossOver 410 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 361 ## OptSubtree 1460 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.939393 0.154129 0.214144 0.218924 -55.2863 66.9825 -56.9179 # jumping subtree containing T0136:A 1 (0) jump= 0.58753 0.533787 -0.0062932 -0.608145 -142.196 -82.1748 -107.077 # jumping subtree containing T0136:L 50 (49) jump= -0.373313 -0.88822 0.260817 0.0606407 -37.6978 -75.4045 -337.697 # jumping subtree containing T0136:G 63 (62) jump= -0.992168 0.0758637 -0.00889233 -0.0988355 5.85373 42.3772 15.1321 # jumping subtree containing T0136:G 74 (73) jump= 0.99565 -0.00706326 -0.088243 -0.0290682 -43.1373 -11.7987 9.05964 # jumping subtree containing T0136:G 42 (41) jump= 0.645854 0.0610254 -0.754354 0.100492 -122.476 -47.8867 -251.225 # jumping subtree containing T0136:D 55 (54) jump= 0.987647 0.0597265 -0.144732 -0.00629628 -53.5085 -41.3255 3.69838 # jumping subtree containing T0136:G 42 (41) jump= -0.0112012 -0.911189 0.209959 -0.354298 160.093 -2.0177 -340.977 # jumping subtree containing T0136:P 56 (55) jump= 0.104216 0.61337 -0.780119 -0.065804 3.4456 30.7174 -378.404 # jumping subtree containing T0136:G 42 (41) jump= 0.952419 -0.195544 -0.203427 0.115231 -78.438 38.0035 -24.6271 # generation 96: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.3806 cost/residue, 115 clashes 0.0375296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 256 ## TwoFragment 0 ## CrossOver 418 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 363 ## OptSubtree 1481 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= -0.878767 0.438984 0.143681 0.120074 -7.99535 155.309 -81.6006 # jumping subtree containing T0136:P 56 (55) jump= -0.00653618 0.389717 0.910303 -0.139378 0.147135 -81.0369 -370.191 # jumping subtree containing T0136:G 42 (41) jump= -0.858915 0.128042 -0.473468 -0.147307 179.799 66.0882 -37.5592 # jumping subtree containing T0136:G 42 (41) jump= -0.833324 -0.412572 0.153565 0.334324 -92.0636 -96.6947 -55.999 # jumping subtree containing T0136:P 56 (55) jump= -0.987515 -0.018183 0.00604232 0.156358 -13.1467 3.06361 19.2982 # jumping subtree containing T0136:P 56 (55) jump= 0.663508 0.359088 -0.656085 0.0191182 -138.483 -91.2838 -218.96 # jumping subtree containing T0136:P 56 (55) jump= -0.51338 -0.393932 0.451438 0.61438 -170.048 53.9684 -144.737 # jumping subtree containing T0136:G 42 (41) jump= -0.772708 -0.199197 0.380391 -0.467489 -45.7406 -135.553 -78.1241 # jumping subtree containing T0136:G 42 (41) jump= -0.152323 0.790394 0.118391 -0.581428 -133.766 30.9889 -220.804 # jumping subtree containing T0136:P 56 (55) jump= -0.0923525 -0.832845 -0.0694523 0.541311 -149.756 -12.0417 -212.617 # jumping subtree containing T0136:L 50 (49) jump= 0.752048 0.332346 -0.287481 0.491248 -5.80164 -136.062 -93.4641 # jumping subtree containing T0136:T 45 (44) jump= -0.0827594 0.136624 -0.673578 0.721649 107.157 -172.802 -189.258 # jumping subtree containing T0136:P 56 (55) jump= -0.959059 0.00141683 0.0135383 0.282878 -2.06403 34.7087 3.1856 # jumping subtree containing T0136:D 55 (54) jump= 0.843272 0.311593 -0.294668 0.323995 -50.9682 -121.133 -72.7477 # jumping subtree containing T0136:G 42 (41) jump= -0.518516 -0.559002 -0.475238 -0.439098 211.652 -90.6775 -220.727 # jumping subtree containing T0136:P 56 (55) jump= -0.989348 -0.0291387 0.135836 -0.0434808 -42.5165 -29.6142 -29.0204 # jumping subtree containing T0136:G 42 (41) jump= 0.990679 0.108878 -0.0286599 0.0766776 -13.572 -36.9012 8.77882 # generation 97: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.2827 cost/residue, 129 clashes 0.0275537 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 256 ## TwoFragment 0 ## CrossOver 422 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 367 ## OptSubtree 1507 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:P 56 (55) jump= 0.998698 0.0346092 -0.0313267 0.0205508 -18.4654 -31.2184 0.187971 # jumping subtree containing T0136:P 56 (55) jump= -0.027265 -0.132927 -0.990702 -0.00978983 80.3036 -15.2599 -389.998 # jumping subtree containing T0136:N 4 (3) jump= -0.140882 -0.699658 0.573884 0.401607 -133.066 87.713 -318.154 # jumping subtree containing T0136:S 10 (9) jump= 0.57681 -0.325168 0.000429683 -0.74937 145.873 106.915 -50.3378 # jumping subtree containing T0136:P 56 (55) jump= -0.699836 -0.583217 0.0394878 -0.410522 98.4979 -201.814 -161.644 # jumping subtree containing T0136:P 56 (55) jump= -0.757048 -0.0441836 -0.530581 0.378694 158.363 -86.0133 -103.571 # jumping subtree containing T0136:G 42 (41) jump= 0.991058 0.0172556 0.0827934 0.103202 56.4597 -2.06378 5.20105 # generation 98: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.2824 cost/residue, 129 clashes 0.0275536 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 256 ## TwoFragment 0 ## CrossOver 428 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 371 ## OptSubtree 1529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing T0136:L 8 (7) jump= 0.174197 0.194857 0.680183 0.684863 116.565 155.73 -202.667 # Removing break before 41 # jumping subtree containing T0136:S 10 (9) jump= 0.046169 -0.668219 0.728492 0.143703 16.4676 61.4691 -386.986 # jumping subtree containing T0136:G 42 (41) jump= -0.883487 0.0808171 -0.126144 -0.443855 55.6268 23.3103 -5.22451 # jumping subtree containing T0136:L 50 (49) jump= -0.183435 -0.919049 -0.256784 0.236141 -86.3292 -70.3638 -319.687 # Removing break before 41 # generation 99: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.2823 cost/residue, 129 clashes 0.0275538 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 256 ## TwoFragment 0 ## CrossOver 431 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 383 ## OptSubtree 1552 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing T0136:S 10 (9) jump= 0.184934 0.445494 -0.44608 0.753888 118.187 -105.155 -157.094 # jumping subtree containing T0136:K 77 (76) jump= 0.305037 0.785518 0.523748 0.12491 121.666 -91.6617 -321.781 # jumping subtree containing T0136:K 77 (76) jump= 0.978088 0.0404382 -0.177639 -0.100764 -46.7917 -4.8794 -7.35696 # jumping subtree containing T0136:S 10 (9) jump= -0.775225 0.264755 -0.119826 0.560868 105.357 72.5722 -47.8219 # jumping subtree containing T0136:K 77 (76) jump= -0.133498 -0.911712 0.00491174 -0.388504 144.939 -59.8505 -353.706 # jumping subtree containing T0136:K 77 (76) jump= 0.313541 0.647691 0.161323 -0.675399 -112.726 -45.6764 -113.367 # jumping subtree containing T0136:K 77 (76) jump= 0.880294 -0.472546 -0.0243757 0.0344842 -27.4686 147.551 -80.8945 # jumping subtree containing T0136:Q 38 (37) jump= 0.995037 -0.018561 0.0963101 -0.0167628 60.5496 4.22532 7.65049 # jumping subtree containing T0136:S 10 (9) jump= 0.0543368 0.586905 0.652701 0.475996 131.433 105.307 -311.371 # jumping subtree containing T0136:A 1 (0) jump= 0.658381 0.0126879 0.726603 0.196015 219.958 59.7838 -216.517 # jumping subtree containing T0136:Q 38 (37) jump= -0.98924 0.102574 -0.0969996 0.0383805 38.3733 43.1263 10.8554 # jumping subtree containing T0136:K 77 (76) jump= 0.53576 -0.765141 -0.311612 -0.174408 -1.15594 146.238 -302.603 # Removing break before 41 # jumping subtree containing T0136:Q 38 (37) jump= 0.746505 -0.0739006 -0.0227348 0.660872 10.1308 12.3262 -1.14304 # generation 100: best score out of 40: T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA 55.2823 cost/residue, 129 clashes 0.0275544 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 256 ## TwoFragment 0 ## CrossOver 439 ## CrossAndInsert 32 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 3 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 384 ## OptSubtree 1573 ## 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_1975534921.pdb -s /projects/compbio/tmp/to_scwrl_1975534921.seq -o /projects/compbio/tmp/from_scwrl_1975534921.pdb -a /projects/compbio/tmp/from_scwrl_1975534921_a.pdb -b /projects/compbio/tmp/from_scwrl_1975534921_b.pdb > /projects/compbio/tmp/scwrl_1975534921.log # conformation set from SCWRL output # command:# naming current conformation T0136.try1-opt-scwrl # command:# command:# CostConform T0136.try1-opt-scwrl costs 55.6002 T0136.try1-opt costs 55.2823 T0136.try1 costs 72.6692 T0136.try1-al10 costs 72.6692 T0136.try1-al10 costs 72.6692 T0136.try1-al8+T0136-1bpoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1bpoA costs 72.6692 T0136.try1-al8 costs 73.2248 T0136.try1-al6 costs 73.4511 T0136.try1-al6 costs 73.4511 T0136.try1-al4+T0136-1bpoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz:1bpoA costs 73.4511 T0136.try1-al4 costs 73.4511 T0136.try1-al2+T0136-1bpoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz:1bpoA costs 73.4511 T0136.try1-al2 costs 76.4577 T0136.rand+T0136-1furA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz:1furA costs 85.9177 T0136.rand costs 115.636 # command:CPU_time= 528318 msec, elapsed time= 1.3543e+07 msec) # command: