# command:# Seed set to 1031559020 # 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= 11010 msec, elapsed time= 11752.2 msec) # Prefix for input files set to # Reading target chain from PDB file T0187.blank.pdb Read PDB file T0187.blank.pdb as target. Have 150 residues and 1169 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 T0187.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2 with 360 bins # SetCost created cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # command:CPU_time= 15410 msec, elapsed time= 16185.1 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= 20360 msec, elapsed time= 21139.2 msec) # command:# Prefix for output files set to decoys/ # command:# created conformation for T0187 from sequence in target chain replacing old conformation. # command:# naming current conformation T0187.rand # command:CPU_time= 20360 msec, elapsed time= 21142.7 msec) # command:# Prefix for input files set to # command:Warning: Couldn't open file Template.atoms or Template.atoms.gz for input Error: Trying Template.atoms Error: Couldn't open file Template.atoms or Template.atoms.gz for input # command:# reading script from file T0187.t2k.undertaker-align.script # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1bouB to template set 1bouB:# found chain 1bouB in template set T0187 3 :DPESLKKLAI 1bouB 12 :HIPALGAAIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.49703 Ang D2.N and P3.CD T0187 13 :EIVKKSIE 1bouB 31 :GPVFKGYQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 24 :PDRAVKE 1bouB 39 :PIRDWIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 34 :KLNLDR 1bouB 46 :QPGNMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 1.29401 Ang L3.CA and L3.CB T0187 40 :VILVAV 1bouB 53 :VVILVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKK 1bouB 98 :GHPDLAWHIAQSLILDEF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.80549 Ang W6.CZ2 and K10.NZ other bump:3.16658 Ang W6.CH2 and K10.NZ other bump:1.53818 Ang W6.CZ2 and K10.CE other bump:2.08296 Ang W6.CH2 and K10.CE other bump:2.39239 Ang W6.CE2 and K10.CE other bump:3.12686 Ang W6.CZ3 and K10.CE other bump:2.54093 Ang W6.CZ2 and K10.CD other bump:2.70867 Ang W6.CH2 and K10.CD other bump:2.79784 Ang W6.CE2 and K10.CD T0187 66 :KGVVV 1bouB 116 :DMTIM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 74 :GHS 1bouB 121 :NQM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 77 :EGPIDDFEIYEA 1bouB 140 :PEEWPCKVIPFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30992 Ang E9.OE1 and Y11.CZ other bump:3.07553 Ang E9.OE1 and Y11.CE2 other bump:2.46566 Ang E9.OE1 and Y11.CE1 T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 138 :LEEIQKLTSALLK 1bouB 208 :EFDLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 12 total=12 Number of alignments=1 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAI 1bouB 12 :HIPALGAAIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.49703 Ang D2.N and P3.CD T0187 13 :EIVKKSI 1bouB 32 :PVFKGYQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 24 :PDRAVKE 1bouB 39 :PIRDWIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 34 :KLNLDR 1bouB 46 :QPGNMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 1.29401 Ang L3.CA and L3.CB T0187 40 :VILVAV 1bouB 53 :VVILVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :G 1bouB 76 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 48 :AAWRMAKAAYEVLGKKI 1bouB 100 :PDLAWHIAQSLILDEFD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.80549 Ang W4.CZ2 and K8.NZ other bump:3.16658 Ang W4.CH2 and K8.NZ other bump:2.39239 Ang W4.CE2 and K8.CE other bump:1.53818 Ang W4.CZ2 and K8.CE other bump:3.12686 Ang W4.CZ3 and K8.CE other bump:2.08296 Ang W4.CH2 and K8.CE other bump:2.79784 Ang W4.CE2 and K8.CD other bump:2.54093 Ang W4.CZ2 and K8.CD other bump:2.70867 Ang W4.CH2 and K8.CD T0187 67 :GVVV 1bouB 117 :MTIM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 73 :YGH 1bouB 121 :NQM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 77 :EGPIDDFEIYEA 1bouB 140 :PEEWPCKVIPFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30992 Ang E9.OE1 and Y11.CZ other bump:3.07553 Ang E9.OE1 and Y11.CE2 other bump:2.46566 Ang E9.OE1 and Y11.CE1 T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 138 :LEEIQKLTSALLK 1bouB 208 :EFDLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 13 total=25 Number of alignments=2 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1bd3A to template set 1bd3A:# found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIV 1bd3A 40 :KQTAQLRAMMTIIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.77542 Ang D3.CB and K8.NZ other bump:1.83025 Ang F2.O and P4.CD other bump:2.61991 Ang F2.C and P4.CD T0187 16 :KKSIEAVFPDRAV 1bd3A 60 :EEFVFYADRLIRL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.33952 Ang F9.CE1 and R12.NH2 other bump:2.07917 Ang F9.CD1 and R12.NH2 other bump:1.97663 Ang V8.CG1 and R12.NH1 other bump:2.64791 Ang V8.CG1 and R12.CZ T0187 29 :KETLPKLN 1bd3A 78 :LNELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.081 Ang L8.CB and N9.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAE Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.54507 Ang Y38.CG and S41.OG other bump:2.37035 Ang Y38.CD2 and S41.OG other bump:2.51254 Ang Y38.CB and S41.OG other bump:3.15329 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 83 :FEIYEAGHP 1bd3A 144 :PKLIYEKLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 92 :VPDENTIKTTRRVLE 1bd3A 168 :ATAGSVCKAIEVLLR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.18578 Ang R12.NH1 and E16.OE2 other bump:1.71583 Ang K9.NZ and R12.NH2 other bump:2.63769 Ang K9.CE and R12.NH2 other bump:2.71898 Ang K9.NZ and R12.CZ other bump:3.12792 Ang K9.CE and R12.CZ other bump:2.84609 Ang K9.CE and R12.NE self-bump: 1.36925 Ang P3.N and P3.CD neighbor-bump: 2.31231 Ang V2.CB and P3.CD neighbor-bump: 2.57858 Ang V2.CG1 and P3.CD self-bump: 1.38479 Ang V2.CA and V2.CB T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB T0187 137 :SLEEIQKLTSA 1bd3A 198 :APQGIERVFKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 8 total=33 Number of alignments=3 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIV 1bd3A 40 :KQTAQLRAMMTIIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.77542 Ang D3.CB and K8.NZ other bump:1.83025 Ang F2.O and P4.CD other bump:2.61991 Ang F2.C and P4.CD T0187 16 :KKSIEAVFP 1bd3A 60 :EEFVFYADR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 25 :DRAVKETLPKLN 1bd3A 74 :IEEALNELPFQK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.081 Ang L12.CB and N13.N other bump:2.4224 Ang R3.NH1 and K6.CD T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVR Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.81016 Ang I6.CB and I29.CG2 other bump:2.05894 Ang I6.CG2 and I29.CG2 other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.7794 Ang L25.CB and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 66 :KGVVVT 1bd3A 130 :IGKILI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 72 :KYGHS 1bd3A 138 :DETTA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.5041 Ang K2.CE and H5.NE2 other bump:1.83302 Ang K2.NZ and H5.NE2 other bump:2.00416 Ang K2.CD and H5.CD2 other bump:2.05829 Ang K2.CE and H5.CD2 other bump:1.98445 Ang K2.NZ and H5.CD2 other bump:2.83653 Ang K2.CD and H5.CG T0187 78 :G 1bd3A 143 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 83 :FEIYEAGHP 1bd3A 144 :PKLIYEKLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 92 :VPDENTIKTTRRVLE 1bd3A 168 :ATAGSVCKAIEVLLR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.18578 Ang R12.NH1 and E16.OE2 other bump:1.71583 Ang K9.NZ and R12.NH2 other bump:2.63769 Ang K9.CE and R12.NH2 other bump:2.71898 Ang K9.NZ and R12.CZ other bump:3.12792 Ang K9.CE and R12.CZ other bump:2.84609 Ang K9.CE and R12.NE self-bump: 1.36925 Ang P3.N and P3.CD neighbor-bump: 2.31231 Ang V2.CB and P3.CD neighbor-bump: 2.57858 Ang V2.CG1 and P3.CD self-bump: 1.38479 Ang V2.CA and V2.CB T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB T0187 137 :SLEEIQKLTSA 1bd3A 198 :APQGIERVFKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 11 total=44 Number of alignments=4 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1jeoA to template set 1jeoA:Skipped atom 166, because occupancy 0.5 <= existing 0.500001 Skipped atom 168, because occupancy 0.5 <= existing 0.500001 Skipped atom 170, because occupancy 0.5 <= existing 0.500001 # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 16 :KKSIEAV 1jeoA 27 :KNKLDSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 24 :PDRAVK 1jeoA 34 :IDRIIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIR 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGFK Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.37054 Ang V24.CG1 and I29.CD1 other bump:3.13785 Ang V24.CG1 and I29.CG1 other bump:2.91082 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 70 :VTKYG 1jeoA 69 :SYFVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 75 :HSEGPIDDFEIYEAGHPVPDENTIKTTRRVL 1jeoA 76 :TTPSYEKDDLLILISGSGRTESVLTVAKKAK Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.00088 Ang I12.CD1 and V31.CG2 other bump:2.44805 Ang K26.CG and R30.NH1 other bump:2.74569 Ang K26.NZ and R30.NH1 other bump:2.93387 Ang K26.CG and R30.CZ neighbor-bump: 2.57069 Ang P18.C and V19.CB self-bump: 1.37779 Ang P18.N and P18.CD neighbor-bump: 2.52342 Ang H17.CB and P18.CD other bump:2.27718 Ang E11.CD and Y13.OH other bump:1.20069 Ang E11.OE2 and Y13.OH other bump:2.22055 Ang E11.CD and Y13.CZ other bump:1.25526 Ang E11.OE2 and Y13.CZ other bump:2.554 Ang E11.OE2 and Y13.CE2 other bump:2.47114 Ang E11.CG and Y13.CE1 other bump:1.64352 Ang E11.CD and Y13.CE1 other bump:1.57974 Ang E11.OE2 and Y13.CE1 other bump:2.25359 Ang E11.OE1 and Y13.CE1 other bump:2.87809 Ang E11.CD and Y13.CD1 other bump:3.17282 Ang I7.CA and F10.CZ other bump:2.80933 Ang I7.N and F10.CZ other bump:2.10668 Ang I7.CB and F10.CZ other bump:1.53796 Ang I7.CG1 and F10.CZ other bump:1.74897 Ang I7.CD1 and F10.CZ other bump:2.47401 Ang I7.CG2 and F10.CE2 other bump:2.68327 Ang I7.C and F10.CE2 other bump:1.92202 Ang I7.CA and F10.CE2 other bump:1.95595 Ang I7.N and F10.CE2 other bump:0.978129 Ang I7.CB and F10.CE2 other bump:1.58668 Ang I7.CG1 and F10.CE2 other bump:2.51735 Ang I7.CD1 and F10.CE2 other bump:2.92536 Ang I7.CG1 and F10.CE1 other bump:2.73052 Ang I7.CD1 and F10.CE1 other bump:2.00577 Ang I7.O and F10.CD2 other bump:2.21211 Ang I7.C and F10.CD2 other bump:2.20299 Ang I7.CA and F10.CD2 other bump:2.02006 Ang I7.N and F10.CD2 other bump:1.94687 Ang I7.CB and F10.CD2 other bump:2.98564 Ang I7.CG1 and F10.CD2 other bump:2.90579 Ang I7.N and F10.CG neighbor-bump: 2.73958 Ang I7.CG2 and D8.N T0187 109 :DQ 1jeoA 107 :NI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 112 :N 1jeoA 109 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 114 :NDTVLF 1jeoA 110 :NNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 125 :GSSLFEL 1jeoA 121 :NVVEFAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 132 :PLEGVS 1jeoA 136 :KSKYLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 138 :LEEIQKLTSALL 1jeoA 146 :FEETALIFLDLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 12 total=56 Number of alignments=5 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 16 :KKSIEAVFPDRAVKETL 1jeoA 24 :DEWKNKLDSLIDRIIKA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.51994 Ang V14.O and L18.CG other bump:2.71855 Ang V8.CG1 and R12.NH2 other bump:2.35882 Ang V8.CG1 and R12.NH1 other bump:2.69829 Ang V8.CG1 and R12.CZ other bump:2.51528 Ang E6.C and P10.CD other bump:1.40212 Ang E6.O and P10.CD other bump:3.1329 Ang A7.C and P10.CD other bump:2.88785 Ang E6.C and P10.CG other bump:1.73761 Ang E6.O and P10.CG other bump:2.37525 Ang I5.CG2 and F9.CE1 other bump:2.60856 Ang I5.O and F9.CD1 T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKIR 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGFK Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.37054 Ang V23.CG1 and I28.CD1 other bump:3.13785 Ang V23.CG1 and I28.CG1 other bump:2.91082 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 70 :VTKYG 1jeoA 69 :SYFVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 75 :HSEGPIDDFEIYEAGHPVPDENTIKTTRRVL 1jeoA 76 :TTPSYEKDDLLILISGSGRTESVLTVAKKAK Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.00088 Ang I12.CD1 and V31.CG2 other bump:2.44805 Ang K26.CG and R30.NH1 other bump:2.74569 Ang K26.NZ and R30.NH1 other bump:2.93387 Ang K26.CG and R30.CZ neighbor-bump: 2.57069 Ang P18.C and V19.CB self-bump: 1.37779 Ang P18.N and P18.CD neighbor-bump: 2.52342 Ang H17.CB and P18.CD other bump:2.27718 Ang E11.CD and Y13.OH other bump:1.20069 Ang E11.OE2 and Y13.OH other bump:2.22055 Ang E11.CD and Y13.CZ other bump:1.25526 Ang E11.OE2 and Y13.CZ other bump:2.554 Ang E11.OE2 and Y13.CE2 other bump:2.47114 Ang E11.CG and Y13.CE1 other bump:1.64352 Ang E11.CD and Y13.CE1 other bump:1.57974 Ang E11.OE2 and Y13.CE1 other bump:2.25359 Ang E11.OE1 and Y13.CE1 other bump:2.87809 Ang E11.CD and Y13.CD1 other bump:3.17282 Ang I7.CA and F10.CZ other bump:2.80933 Ang I7.N and F10.CZ other bump:2.10668 Ang I7.CB and F10.CZ other bump:1.53796 Ang I7.CG1 and F10.CZ other bump:1.74897 Ang I7.CD1 and F10.CZ other bump:2.47401 Ang I7.CG2 and F10.CE2 other bump:2.68327 Ang I7.C and F10.CE2 other bump:1.92202 Ang I7.CA and F10.CE2 other bump:1.95595 Ang I7.N and F10.CE2 other bump:0.978129 Ang I7.CB and F10.CE2 other bump:1.58668 Ang I7.CG1 and F10.CE2 other bump:2.51735 Ang I7.CD1 and F10.CE2 other bump:2.92536 Ang I7.CG1 and F10.CE1 other bump:2.73052 Ang I7.CD1 and F10.CE1 other bump:2.00577 Ang I7.O and F10.CD2 other bump:2.21211 Ang I7.C and F10.CD2 other bump:2.20299 Ang I7.CA and F10.CD2 other bump:2.02006 Ang I7.N and F10.CD2 other bump:1.94687 Ang I7.CB and F10.CD2 other bump:2.98564 Ang I7.CG1 and F10.CD2 other bump:2.90579 Ang I7.N and F10.CG neighbor-bump: 2.73958 Ang I7.CG2 and D8.N T0187 109 :DQ 1jeoA 107 :NI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 113 :ENDTVLF 1jeoA 109 :NNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 125 :GSSLFEL 1jeoA 121 :NVVEFAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 132 :PLEGVS 1jeoA 136 :KSKYLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 138 :LEEIQKLTSALL 1jeoA 146 :FEETALIFLDLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 10 total=66 Number of alignments=6 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 T0187 138 :LEEIQKLTSALLK 1bd3A 196 :LAAPQGIERVFKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.05088 Ang E3.CD and L8.CD2 other bump:1.90204 Ang E3.OE2 and L8.CD2 neighbor-bump: 2.79702 Ang L2.CD2 and E3.N Number of specific fragments= 5 total=71 Number of alignments=7 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EG 1bd3A 153 :AD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 80 :IDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 155 :IRERWVMLLDPMCATAGSVCKAIEVLLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76716 Ang R25.NH1 and L29.CD1 other bump:2.60919 Ang V14.CG2 and I20.CD1 other bump:2.91605 Ang V14.CG1 and E17.CG self-bump: 2.10347 Ang P15.CA and P15.CG self-bump: 1.26335 Ang P15.CA and P15.CB neighbor-bump: 2.82976 Ang H12.CB and P13.CD other bump:2.45838 Ang G1.O and F5.CE1 other bump:2.96925 Ang G1.C and F5.CE1 other bump:2.46885 Ang G1.O and F5.CD1 T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB T0187 137 :SLEEIQKLTSAL 1bd3A 198 :APQGIERVFKEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 6 total=77 Number of alignments=8 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 16 :KKSIEAVFPDRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 19 :KFYTNDEWKNKLDSLIDRIIKAKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.61707 Ang V45.CG1 and I50.CD1 other bump:2.96861 Ang V45.CG1 and I50.CB other bump:2.17119 Ang K20.NZ and V45.CG2 other bump:3.30506 Ang K20.NZ and V45.CG1 other bump:1.5685 Ang V29.O and M38.CE other bump:1.70683 Ang V29.C and M38.CE other bump:2.2712 Ang V29.N and M38.CE other bump:2.33127 Ang V29.CA and M38.CE other bump:2.64379 Ang A30.N and M38.CE other bump:2.26171 Ang V29.O and M38.SD other bump:2.34494 Ang V29.C and M38.SD other bump:2.38015 Ang A30.CA and M38.SD other bump:1.55241 Ang A30.CB and M38.SD other bump:2.39274 Ang A30.N and M38.SD other bump:2.80785 Ang A30.CB and M38.CG other bump:2.51434 Ang A30.O and A35.CB other bump:2.97127 Ang A30.C and A35.CB other bump:3.15767 Ang A30.CB and A35.CA other bump:3.15001 Ang A30.CB and A35.N other bump:3.16139 Ang A30.CB and A34.C self-bump: 1.3733 Ang D24.CA and D24.CB other bump:2.51994 Ang P19.O and L23.CG other bump:2.68449 Ang E6.OE1 and F9.CE1 other bump:2.63271 Ang E6.OE1 and F9.CD1 T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues T0187 124 :GGSSLF 1jeoA 121 :NVVEFA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.19218 Ang S4.C and F7.CZ other bump:2.4754 Ang S4.CA and F7.CZ other bump:2.26786 Ang S4.CB and F7.CZ other bump:2.42152 Ang S4.OG and F7.CZ other bump:2.69574 Ang S4.C and F7.CE2 other bump:1.55353 Ang S4.CA and F7.CE2 other bump:2.01748 Ang S4.CB and F7.CE2 other bump:2.13163 Ang S4.OG and F7.CE2 other bump:2.59942 Ang S4.N and F7.CE2 other bump:2.89783 Ang S4.C and F7.CD2 other bump:2.14091 Ang S4.CA and F7.CD2 other bump:3.13937 Ang G3.C and F7.CD2 T0187 130 :ELPLEGVSLEEIQKLTSALL 1jeoA 138 :KYLPMGTTFEETALIFLDLV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues self-bump: 2.20114 Ang E6.CB and E6.C self-bump: 1.26189 Ang E6.CA and E6.CB neighbor-bump: 2.32641 Ang L5.CB and E6.N self-bump: 2.17483 Ang L5.CB and L5.C self-bump: 1.31605 Ang L5.CA and L5.CB neighbor-bump: 2.07207 Ang L3.C and P4.CD neighbor-bump: 2.6658 Ang L3.C and P4.CG self-bump: 1.35473 Ang P4.CA and P4.CB Number of specific fragments= 6 total=83 Number of alignments=9 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 19 :IEAVFPDRA 1jeoA 17 :LKKFYTNDE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6152 Ang F6.N and P7.CD self-bump: 1.38832 Ang P7.N and P7.CD neighbor-bump: 2.83322 Ang F6.CB and P7.CD other bump:1.89151 Ang E3.O and P7.CD other bump:3.1047 Ang E3.C and P7.CD other bump:2.55185 Ang E3.O and P7.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.61707 Ang V24.CG1 and I29.CD1 other bump:2.96861 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNENDTVL 1jeoA 99 :LTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 124 :GGSSLF 1jeoA 121 :NVVEFA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.19218 Ang S4.C and F7.CZ other bump:2.4754 Ang S4.CA and F7.CZ other bump:2.26786 Ang S4.CB and F7.CZ other bump:2.42152 Ang S4.OG and F7.CZ other bump:2.69574 Ang S4.C and F7.CE2 other bump:1.55353 Ang S4.CA and F7.CE2 other bump:2.01748 Ang S4.CB and F7.CE2 other bump:2.13163 Ang S4.OG and F7.CE2 other bump:2.59942 Ang S4.N and F7.CE2 other bump:2.89783 Ang S4.C and F7.CD2 other bump:2.14091 Ang S4.CA and F7.CD2 other bump:3.13937 Ang G3.C and F7.CD2 T0187 130 :ELP 1jeoA 139 :YLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 134 :EGVSLEEIQKLTSALL 1jeoA 142 :MGTTFEETALIFLDLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues self-bump: 2.20113 Ang E2.CB and E2.C self-bump: 1.26188 Ang E2.CA and E2.CB Number of specific fragments= 8 total=91 Number of alignments=10 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1lk5A to template set 1lk5A:# found chain 1lk5A in template set T0187 1 :MF 1lk5A 1 :MN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 7 :LKKLAIEIVKKSIEA 1lk5A 3 :VEEMKKIAAKEALKF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9824 Ang K12.CD and E15.CD T0187 35 :LNLDRVILVAVGKAAWRMAKAAYEVL 1lk5A 18 :IEDDMVIGLGTGSTTAYFIKLLGEKL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.57186 Ang A20.O and Y24.CD1 other bump:2.37878 Ang G13.O and W17.CD1 other bump:2.64843 Ang N3.CB and R6.NH2 other bump:1.66658 Ang N3.CG and R6.NH2 other bump:2.56884 Ang N3.ND2 and R6.NH2 other bump:0.97944 Ang N3.OD1 and R6.NH2 other bump:2.90782 Ang N3.N and R6.CZ other bump:2.76299 Ang N3.CB and R6.CZ other bump:2.49474 Ang N3.CG and R6.CZ other bump:2.07674 Ang N3.OD1 and R6.CZ other bump:1.92554 Ang N3.N and R6.NE other bump:2.53361 Ang N3.CA and R6.NE other bump:2.33193 Ang N3.CB and R6.NE other bump:2.73827 Ang N3.CG and R6.NE other bump:2.5563 Ang N3.N and R6.CD other bump:3.31544 Ang N3.CA and R6.CD neighbor-bump: 2.40389 Ang L4.CB and D5.N self-bump: 2.18975 Ang L4.CB and L4.C self-bump: 1.28154 Ang L4.CA and L4.CB T0187 61 :GKKIRKGVVVTK 1lk5A 45 :RGEISDIVGVPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 73 :YGHSEGPIDDF 1lk5A 67 :HDIPIASLDQV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.74519 Ang I9.CB and F12.CZ other bump:2.64588 Ang I9.CA and F12.CZ other bump:2.29326 Ang I9.CG1 and F12.CZ other bump:1.28276 Ang I9.CD1 and F12.CZ other bump:3.08655 Ang I9.N and F12.CE2 other bump:3.10607 Ang I9.CB and F12.CE2 other bump:2.38863 Ang I9.CA and F12.CE2 other bump:2.60545 Ang I9.CD1 and F12.CE2 other bump:2.77589 Ang I9.CG1 and F12.CE1 other bump:1.60892 Ang I9.CD1 and F12.CE1 other bump:3.2198 Ang I9.CA and F12.CD2 other bump:2.53624 Ang P8.CG and D11.OD2 other bump:2.03151 Ang P8.CD and D11.OD2 T0187 84 :EIY 1lk5A 79 :AID Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.36014 Ang E2.OE1 and Y4.CZ other bump:2.63608 Ang E2.OE1 and Y4.CE2 other bump:2.36129 Ang E2.OE1 and Y4.CE1 other bump:2.62597 Ang E2.OE1 and Y4.CD1 T0187 87 :EAGH 1lk5A 85 :DGAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 91 :PVP 1lk5A 101 :GAA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.20864 Ang P2.O and P4.CD neighbor-bump: 2.01225 Ang V3.N and P4.CD neighbor-bump: 2.11902 Ang V3.CA and P4.CD neighbor-bump: 1.72596 Ang V3.C and P4.CD self-bump: 1.27957 Ang P4.N and P4.CD other bump:2.12972 Ang P2.C and P4.CD other bump:2.49972 Ang P2.O and P4.CG self-bump: 2.13925 Ang P4.N and P4.CG other bump:2.92849 Ang P2.C and P4.CG neighbor-bump: 2.60413 Ang P2.C and V3.CB neighbor-bump: 2.03848 Ang G1.C and P2.CD self-bump: 1.30712 Ang P2.N and P2.CD self-bump: 2.16744 Ang P2.N and P2.CG T0187 99 :KTTRRVLEL 1lk5A 104 :LTMEKIIEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 114 :ND 1lk5A 113 :RA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVS 1lk5A 123 :ERKLVDYLCQKMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 141 :IQKLTSALL 1lk5A 145 :WKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 13 total=104 Number of alignments=11 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 1 :MF 1lk5A 1 :MN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 7 :LKKLAIEIVKKSIEA 1lk5A 3 :VEEMKKIAAKEALKF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9824 Ang K12.CD and E15.CD T0187 35 :LNLDRVILVAVGKAAWRMAKAA 1lk5A 18 :IEDDMVIGLGTGSTTAYFIKLL Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.37878 Ang G13.O and W17.CD1 other bump:2.64843 Ang N3.CB and R6.NH2 other bump:1.66658 Ang N3.CG and R6.NH2 other bump:2.56884 Ang N3.ND2 and R6.NH2 other bump:0.97944 Ang N3.OD1 and R6.NH2 other bump:2.90782 Ang N3.N and R6.CZ other bump:2.76299 Ang N3.CB and R6.CZ other bump:2.49474 Ang N3.CG and R6.CZ other bump:2.07674 Ang N3.OD1 and R6.CZ other bump:1.92554 Ang N3.N and R6.NE other bump:2.53361 Ang N3.CA and R6.NE other bump:2.33193 Ang N3.CB and R6.NE other bump:2.73827 Ang N3.CG and R6.NE other bump:2.5563 Ang N3.N and R6.CD other bump:3.31544 Ang N3.CA and R6.CD neighbor-bump: 2.40389 Ang L4.CB and D5.N self-bump: 2.18975 Ang L4.CB and L4.C self-bump: 1.28154 Ang L4.CA and L4.CB T0187 57 :YEVLGKKIRKGVVVTK 1lk5A 41 :EKLKRGEISDIVGVPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 73 :YGHSEGPIDDF 1lk5A 67 :HDIPIASLDQV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.74519 Ang I9.CB and F12.CZ other bump:2.64588 Ang I9.CA and F12.CZ other bump:2.29326 Ang I9.CG1 and F12.CZ other bump:1.28276 Ang I9.CD1 and F12.CZ other bump:3.08655 Ang I9.N and F12.CE2 other bump:3.10607 Ang I9.CB and F12.CE2 other bump:2.38863 Ang I9.CA and F12.CE2 other bump:2.60545 Ang I9.CD1 and F12.CE2 other bump:2.77589 Ang I9.CG1 and F12.CE1 other bump:1.60892 Ang I9.CD1 and F12.CE1 other bump:3.2198 Ang I9.CA and F12.CD2 other bump:2.53624 Ang P8.CG and D11.OD2 other bump:2.03151 Ang P8.CD and D11.OD2 T0187 85 :IY 1lk5A 80 :ID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 87 :EAGH 1lk5A 85 :DGAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 93 :PD 1lk5A 94 :LN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues self-bump: 2.19324 Ang P2.CA and P2.CD neighbor-bump: 1.80164 Ang G1.O and P2.CD neighbor-bump: 1.43308 Ang G1.C and P2.CD neighbor-bump: 2.79448 Ang G1.C and P2.CG T0187 99 :KTTRRVLEL 1lk5A 104 :LTMEKIIEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 114 :ND 1lk5A 113 :RA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVS 1lk5A 123 :ERKLVDYLCQKMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 141 :IQKLTSAL 1lk5A 145 :WKAIIEEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 13 total=117 Number of alignments=12 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 50 :WRMAKAAYEVLGKK 1bouB 127 :HGCTVPLSMIFGEP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.7571 Ang Y9.CE1 and K14.NZ other bump:2.05615 Ang Y9.CZ and K14.NZ other bump:1.91099 Ang Y9.OH and K14.NZ other bump:2.75892 Ang Y9.CE1 and K14.CE other bump:2.22425 Ang Y9.OH and K14.CE other bump:2.68482 Ang W2.CB and K6.CE T0187 64 :IRKGVVVTKYGHS 1bouB 143 :WPCKVIPFPVNVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSA 1bouB 211 :LNFIDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 5 total=122 Number of alignments=13 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 61 :GKKIRKGVVVTKYGHSEG 1bouB 140 :PEEWPCKVIPFPVNVVTY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 158 :PPPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.06226 Ang L45.CD1 and V48.CG2 other bump:2.43658 Ang L45.O and V48.CG2 neighbor-bump: 2.03547 Ang L43.CB and P44.CD neighbor-bump: 2.38609 Ang L43.CB and P44.N self-bump: 2.1954 Ang L43.CB and L43.C self-bump: 1.34504 Ang L43.CA and L43.CB other bump:2.26899 Ang L40.CD1 and E42.O neighbor-bump: 2.78778 Ang G36.CA and G37.CA other bump:2.48561 Ang V4.CG1 and N8.OD1 other bump:2.98407 Ang V4.CG1 and N8.CG other bump:2.83965 Ang V4.CG1 and N8.CB neighbor-bump: 2.84776 Ang V4.CG1 and P5.CD Number of specific fragments= 2 total=124 Number of alignments=14 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 61 :GKKIRKGVVVTKYGHSEG 1bouB 140 :PEEWPCKVIPFPVNVVTY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 158 :PPPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.06226 Ang L45.CD1 and V48.CG2 other bump:2.43658 Ang L45.O and V48.CG2 neighbor-bump: 2.03547 Ang L43.CB and P44.CD neighbor-bump: 2.38609 Ang L43.CB and P44.N self-bump: 2.1954 Ang L43.CB and L43.C self-bump: 1.34504 Ang L43.CA and L43.CB other bump:2.26899 Ang L40.CD1 and E42.O neighbor-bump: 2.78778 Ang G36.CA and G37.CA other bump:2.48561 Ang V4.CG1 and N8.OD1 other bump:2.98407 Ang V4.CG1 and N8.CG other bump:2.83965 Ang V4.CG1 and N8.CB neighbor-bump: 2.84776 Ang V4.CG1 and P5.CD Number of specific fragments= 2 total=126 Number of alignments=15 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 50 :WRMAKAAYEVLGKK 1bouB 127 :HGCTVPLSMIFGEP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.7571 Ang Y9.CE1 and K14.NZ other bump:2.05615 Ang Y9.CZ and K14.NZ other bump:1.91099 Ang Y9.OH and K14.NZ other bump:2.75892 Ang Y9.CE1 and K14.CE other bump:2.22425 Ang Y9.OH and K14.CE other bump:2.68482 Ang W2.CB and K6.CE T0187 64 :IRKGVVVTKYGHS 1bouB 143 :WPCKVIPFPVNVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSA 1bouB 211 :LNFIDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 5 total=131 Number of alignments=16 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNENDTVL 1jeoA 99 :LTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 124 :G 1jeoA 121 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 5 total=136 Number of alignments=17 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 4 total=140 Number of alignments=18 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNENDTVL 1jeoA 99 :LTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 124 :G 1jeoA 121 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 5 total=145 Number of alignments=19 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jeoA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1jeoA/T0187-1jeoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 4 total=149 Number of alignments=20 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 6 :SLKKLAIEIVKKSIE 1bd3A 65 :YADRLIRLLIEEALN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 31 :TLPKLN 1bd3A 80 :ELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.081 Ang L6.CB and N7.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EG 1bd3A 153 :AD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 80 :IDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 155 :IRERWVMLLDPMCATAGSVCKAIEVLLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76716 Ang R25.NH1 and L29.CD1 other bump:2.60919 Ang V14.CG2 and I20.CD1 other bump:2.91605 Ang V14.CG1 and E17.CG self-bump: 2.10347 Ang P15.CA and P15.CG self-bump: 1.26335 Ang P15.CA and P15.CB neighbor-bump: 2.82976 Ang H12.CB and P13.CD other bump:2.45838 Ang G1.O and F5.CE1 other bump:2.96925 Ang G1.C and F5.CE1 other bump:2.46885 Ang G1.O and F5.CD1 T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB Number of specific fragments= 6 total=155 Number of alignments=21 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIVKKSIEAV 1bd3A 57 :TPKEEFVFYADRLIRLLIEEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 29 :KETLPKLN 1bd3A 78 :LNELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.081 Ang L8.CB and N9.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 Number of specific fragments= 5 total=160 Number of alignments=22 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 6 :SLKKLAIEIVKKSIE 1bd3A 65 :YADRLIRLLIEEALN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 31 :TLPKLN 1bd3A 80 :ELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.081 Ang L6.CB and N7.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EG 1bd3A 153 :AD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 80 :IDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 155 :IRERWVMLLDPMCATAGSVCKAIEVLLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76716 Ang R25.NH1 and L29.CD1 other bump:2.60919 Ang V14.CG2 and I20.CD1 other bump:2.91605 Ang V14.CG1 and E17.CG self-bump: 2.10347 Ang P15.CA and P15.CG self-bump: 1.26335 Ang P15.CA and P15.CB neighbor-bump: 2.82976 Ang H12.CB and P13.CD other bump:2.45838 Ang G1.O and F5.CE1 other bump:2.96925 Ang G1.C and F5.CE1 other bump:2.46885 Ang G1.O and F5.CD1 T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB Number of specific fragments= 6 total=166 Number of alignments=23 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1bd3A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bd3A/T0187-1bd3A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIVKKSIEAV 1bd3A 57 :TPKEEFVFYADRLIRLLIEEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 29 :KETLPKLN 1bd3A 78 :LNELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.081 Ang L8.CB and N9.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 Number of specific fragments= 5 total=171 Number of alignments=24 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1pdo to template set 1pdo:Skipped atom 473, because occupancy 0.59 <= existing 0.670001 Skipped atom 475, because occupancy 0.59 <= existing 0.670001 Skipped atom 477, because occupancy 0.59 <= existing 0.670001 Skipped atom 479, because occupancy 0.59 <= existing 0.670001 Skipped atom 940, because occupancy 0.36 <= existing 0.600001 Skipped atom 942, because occupancy 0.36 <= existing 0.600001 Skipped atom 944, because occupancy 0.36 <= existing 0.600001 Skipped atom 946, because occupancy 0.36 <= existing 0.600001 Skipped atom 948, because occupancy 0.36 <= existing 0.600001 Skipped atom 950, because occupancy 0.36 <= existing 0.600001 Skipped atom 952, because occupancy 0.36 <= existing 0.600001 # found chain 1pdo in template set T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLF 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGSPF Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.82213 Ang L33.CD1 and F41.CA other bump:2.68765 Ang P3.CG and L40.CD2 other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 3 total=174 Number of alignments=25 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVA 1pdo 4 :AIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 124 :GGS 1pdo 70 :GGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 4 total=178 Number of alignments=26 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLF 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGSPF Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.82213 Ang L33.CD1 and F41.CA other bump:2.68765 Ang P3.CG and L40.CD2 other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 3 total=181 Number of alignments=27 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVA 1pdo 4 :AIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 124 :GGS 1pdo 70 :GGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 4 total=185 Number of alignments=28 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSY Fragment has 81 clashes (null) has 81 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues self-bump: 1.3988 Ang H52.CA and H52.CB other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=186 Number of alignments=29 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTS Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=187 Number of alignments=30 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSY Fragment has 81 clashes (null) has 81 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues self-bump: 1.3988 Ang H52.CA and H52.CB other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=188 Number of alignments=31 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTS Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=189 Number of alignments=32 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 14 :IVKKSIEAVFPDRAVKETLPKLN 1bouB 29 :YWGPVFKGYQPIRDWIKQPGNMP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.50669 Ang T19.OG1 and K22.CD neighbor-bump: 1.6538 Ang L20.CA and P21.CD neighbor-bump: 1.85747 Ang L20.CB and P21.CD neighbor-bump: 1.79464 Ang L20.O and P21.CD neighbor-bump: 0.879339 Ang L20.C and P21.CD self-bump: 1.34894 Ang P21.N and P21.CD neighbor-bump: 3.01599 Ang L20.CA and P21.CG neighbor-bump: 1.86224 Ang L20.O and P21.CG neighbor-bump: 1.92255 Ang L20.C and P21.CG self-bump: 2.20163 Ang P21.N and P21.CG neighbor-bump: 1.94767 Ang L20.O and P21.CB neighbor-bump: 2.32185 Ang L20.C and P21.CB self-bump: 1.29401 Ang L20.CA and L20.CB T0187 47 :KAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bouB 97 :KGHPDLAWHIAQSLILDEFDMTIMNQMDVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.28046 Ang V25.CG1 and Y28.CD2 other bump:3.03155 Ang V25.CB and Y28.CD2 other bump:3.14013 Ang V25.CG1 and Y28.CG other bump:2.65462 Ang Y12.OH and V24.CG1 other bump:2.38838 Ang Y12.CD1 and V24.CG1 other bump:1.90557 Ang Y12.CE1 and V24.CG1 other bump:2.39077 Ang Y12.CE2 and V24.CG1 other bump:1.89753 Ang Y12.CZ and V24.CG1 other bump:2.78644 Ang Y12.CG and V24.CG1 other bump:2.77113 Ang Y12.CD2 and V24.CG1 other bump:2.42343 Ang L15.CD2 and K18.NZ other bump:2.83366 Ang V14.CG1 and K18.CD T0187 77 :EGPIDDFEIYE 1bouB 139 :EPEEWPCKVIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.97544 Ang F8.CD1 and I10.CG2 other bump:2.62174 Ang F8.CE1 and I10.CG2 neighbor-bump: 2.62557 Ang D7.OD1 and F8.CD2 T0187 88 :AGHPVPDENTIKT 1bouB 155 :VTYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.30593 Ang D8.OD1 and T11.OG1 neighbor-bump: 2.73157 Ang V6.CG1 and P7.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 137 :SLEEIQKLTSALLK 1bouB 206 :NKEFDLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 7 total=196 Number of alignments=33 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bouB read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1bouB/T0187-1bouB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 15 :VKKSIEAVFPDRAVKETLP 1bouB 30 :WGPVFKGYQPIRDWIKQPG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 1.6538 Ang L19.CA and P20.CD neighbor-bump: 1.85747 Ang L19.CB and P20.CD neighbor-bump: 1.79463 Ang L19.O and P20.CD neighbor-bump: 0.87933 Ang L19.C and P20.CD self-bump: 1.34893 Ang P20.N and P20.CD neighbor-bump: 3.016 Ang L19.CA and P20.CG neighbor-bump: 1.86225 Ang L19.O and P20.CG neighbor-bump: 1.92256 Ang L19.C and P20.CG self-bump: 2.20164 Ang P20.N and P20.CG neighbor-bump: 1.94767 Ang L19.O and P20.CB neighbor-bump: 2.32185 Ang L19.C and P20.CB self-bump: 1.29401 Ang L19.CA and L19.CB T0187 47 :KAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bouB 97 :KGHPDLAWHIAQSLILDEFDMTIMNQMDVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.28046 Ang V25.CG1 and Y28.CD2 other bump:3.03155 Ang V25.CB and Y28.CD2 other bump:3.14013 Ang V25.CG1 and Y28.CG other bump:2.65462 Ang Y12.OH and V24.CG1 other bump:2.38838 Ang Y12.CD1 and V24.CG1 other bump:1.90557 Ang Y12.CE1 and V24.CG1 other bump:2.39077 Ang Y12.CE2 and V24.CG1 other bump:1.89753 Ang Y12.CZ and V24.CG1 other bump:2.78644 Ang Y12.CG and V24.CG1 other bump:2.77113 Ang Y12.CD2 and V24.CG1 other bump:2.42343 Ang L15.CD2 and K18.NZ other bump:2.83366 Ang V14.CG1 and K18.CD T0187 77 :EGPIDDFEIYE 1bouB 139 :EPEEWPCKVIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.97544 Ang F8.CD1 and I10.CG2 other bump:2.62174 Ang F8.CE1 and I10.CG2 neighbor-bump: 2.62557 Ang D7.OD1 and F8.CD2 T0187 88 :AGHPVPDENTIKT 1bouB 155 :VTYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.30593 Ang D8.OD1 and T11.OG1 neighbor-bump: 2.73157 Ang V6.CG1 and P7.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSALL 1bouB 211 :LNFIDKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=203 Number of alignments=34 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVAV 1pdo 3 :IAIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 140 :EIQKLTSALLK 1pdo 73 :PFNAASRIVVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 4 total=207 Number of alignments=35 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVA 1pdo 3 :IAIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 124 :GGSSL 1pdo 70 :GGSPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 135 :GVSLEEIQKLT 1pdo 92 :GVNIPMLVETL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 149 :L 1pdo 103 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 6 total=213 Number of alignments=36 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 1 :MF 1pdo 2 :TI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 40 :VILVAVGKAAWRMAKAAYEVLGKKIRKGVVV 1pdo 4 :AIVIGTHGWAAEQLLKTAEMLLGEQENVGWI Fragment has 56 clashes (null) has 56 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.00305 Ang W12.NE1 and G33.CA other bump:2.53487 Ang W12.NE1 and G33.N other bump:2.82942 Ang W12.CE2 and V32.C other bump:1.98205 Ang W12.NE1 and V32.C other bump:2.59943 Ang W12.CD1 and V32.C other bump:2.74445 Ang W12.CE2 and V32.O other bump:1.73438 Ang W12.NE1 and V32.O other bump:2.63562 Ang W12.CG and V32.O other bump:1.62575 Ang W12.CD1 and V32.O other bump:3.08842 Ang W12.CE2 and V32.CA other bump:2.90605 Ang W12.NE1 and V32.CA other bump:2.80461 Ang W12.CE2 and V32.N other bump:3.0987 Ang W12.CE2 and V31.C other bump:3.03582 Ang W12.CZ2 and V31.C other bump:3.29548 Ang W12.CZ3 and V31.C other bump:3.11423 Ang W12.CH2 and V31.C other bump:1.01736 Ang W12.CD2 and V31.CG2 other bump:2.19079 Ang W12.CE2 and V31.CG2 other bump:1.00344 Ang W12.CE3 and V31.CG2 other bump:3.10871 Ang W12.NE1 and V31.CG2 other bump:2.94183 Ang W12.CZ2 and V31.CG2 other bump:2.14384 Ang W12.CZ3 and V31.CG2 other bump:2.8849 Ang W12.CH2 and V31.CG2 other bump:2.74177 Ang W12.CB and V31.CG2 other bump:1.97398 Ang W12.CG and V31.CG2 other bump:2.99095 Ang W12.CD1 and V31.CG2 other bump:2.95453 Ang W12.CD2 and V31.CG1 other bump:1.9512 Ang W12.CE3 and V31.CG1 other bump:2.72228 Ang W12.CZ2 and V31.CG1 other bump:0.802406 Ang W12.CZ3 and V31.CG1 other bump:1.56656 Ang W12.CH2 and V31.CG1 other bump:2.37759 Ang W12.CD2 and V31.CB other bump:3.11244 Ang W12.CE2 and V31.CB other bump:1.48828 Ang W12.CE3 and V31.CB other bump:1.66818 Ang W12.CZ3 and V31.CB other bump:2.62349 Ang W12.CH2 and V31.CB other bump:2.94752 Ang W12.CE3 and V31.CA other bump:2.99038 Ang W12.CZ3 and V31.CA other bump:3.02207 Ang L4.CD1 and V30.CG2 other bump:2.8966 Ang L4.CG and V30.CG2 other bump:3.15358 Ang L4.CA and V30.CG2 other bump:2.83668 Ang L4.CB and V30.CG2 other bump:2.34762 Ang Y19.CE2 and I26.CD1 other bump:2.29438 Ang Y19.CD2 and I26.CD1 other bump:3.0883 Ang Y19.CE2 and I26.CG1 neighbor-bump: 1.78793 Ang G23.O and K24.CG neighbor-bump: 2.70188 Ang G23.C and K24.CG neighbor-bump: 3.32669 Ang R13.NE and M14.CE neighbor-bump: 2.35634 Ang R13.CZ and M14.CE neighbor-bump: 2.14388 Ang R13.NH1 and M14.CE neighbor-bump: 2.51618 Ang R13.NH2 and M14.CE neighbor-bump: 3.32009 Ang R13.NH2 and M14.SD neighbor-bump: 3.17606 Ang K9.CG and A10.CA neighbor-bump: 2.06355 Ang K9.CG and A10.N self-bump: 2.50933 Ang K9.CG and K9.C self-bump: 1.29851 Ang K9.CA and K9.CB T0187 78 :GPIDDFE 1pdo 35 :DFVPGEN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.617 Ang E8.CG and G9.N self-bump: 1.39146 Ang D6.CA and D6.CB self-bump: 2.21108 Ang D5.CB and D5.C self-bump: 1.26184 Ang D5.CA and D5.CB neighbor-bump: 1.95267 Ang G2.C and P3.CD neighbor-bump: 2.72868 Ang G2.C and P3.CG T0187 97 :TIKTTRRVLELVDQLN 1pdo 42 :AETLIEKYNAQLAKLD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.08051 Ang L10.O and D14.OD2 other bump:2.84489 Ang L10.C and D14.OD2 other bump:1.0117 Ang R7.O and E11.OE1 other bump:1.9375 Ang R7.C and E11.OE1 other bump:2.68895 Ang R8.CA and E11.OE1 other bump:1.92816 Ang R7.O and E11.CD other bump:2.81783 Ang R7.C and E11.CD other bump:2.64252 Ang K4.CG and R8.NH1 other bump:2.56986 Ang T2.O and T5.CG2 T0187 113 :ENDTVLFL 1pdo 59 :TKGVLFLV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.12575 Ang V6.CG1 and F8.CZ other bump:2.87053 Ang V6.CG1 and F8.CE1 neighbor-bump: 2.68656 Ang N3.C and D4.CG neighbor-bump: 1.98539 Ang N3.O and D4.CG neighbor-bump: 2.68631 Ang N3.C and D4.CB neighbor-bump: 2.24996 Ang N3.O and D4.CB self-bump: 2.12572 Ang N3.CB and N3.C T0187 121 :LSG 1pdo 90 :IAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 133 :LEGVSLEEIQKLTSALL 1pdo 106 :DDDPSFDELVALAVETG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.35339 Ang V5.CG2 and I10.CD1 other bump:1.98219 Ang V5.CG2 and I10.CG1 Number of specific fragments= 7 total=220 Number of alignments=37 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1pdo read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1pdo/T0187-1pdo-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 1 :MF 1pdo 2 :TI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVL 1pdo 11 :GWAAEQLLKTAEMLL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 62 :KKIRKGVVV 1pdo 26 :GEQENVGWI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.78793 Ang G1.O and K2.CG neighbor-bump: 2.70188 Ang G1.C and K2.CG T0187 78 :GPIDDF 1pdo 35 :DFVPGE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.03014 Ang I4.CG1 and F7.CZ other bump:1.88997 Ang I4.CG1 and F7.CE2 other bump:2.47354 Ang I4.CD1 and F7.CE2 other bump:2.37713 Ang I4.CG1 and F7.CD2 self-bump: 1.39146 Ang D6.CA and D6.CB self-bump: 2.21108 Ang D5.CB and D5.C self-bump: 1.26184 Ang D5.CA and D5.CB neighbor-bump: 1.95267 Ang G2.C and P3.CD neighbor-bump: 2.72868 Ang G2.C and P3.CG T0187 94 :D 1pdo 41 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 97 :TIKTTRRVLELVDQLN 1pdo 42 :AETLIEKYNAQLAKLD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.08051 Ang L10.O and D14.OD2 other bump:2.84489 Ang L10.C and D14.OD2 other bump:1.0117 Ang R7.O and E11.OE1 other bump:1.9375 Ang R7.C and E11.OE1 other bump:2.68895 Ang R8.CA and E11.OE1 other bump:1.92816 Ang R7.O and E11.CD other bump:2.81783 Ang R7.C and E11.CD other bump:2.64252 Ang K4.CG and R8.NH1 other bump:2.56986 Ang T2.O and T5.CG2 T0187 113 :ENDTVLFL 1pdo 59 :TKGVLFLV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.12575 Ang V6.CG1 and F8.CZ other bump:2.87053 Ang V6.CG1 and F8.CE1 neighbor-bump: 2.68656 Ang N3.C and D4.CG neighbor-bump: 1.98539 Ang N3.O and D4.CG neighbor-bump: 2.68631 Ang N3.C and D4.CB neighbor-bump: 2.24996 Ang N3.O and D4.CB self-bump: 2.12572 Ang N3.CB and N3.C T0187 121 :LSG 1pdo 90 :IAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 133 :LEGVSLEEIQKLTSAL 1pdo 106 :DDDPSFDELVALAVET Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.35339 Ang V5.CG2 and I10.CD1 other bump:1.98219 Ang V5.CG2 and I10.CG1 Number of specific fragments= 10 total=230 Number of alignments=38 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1qmgA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # adding 1qmgA to template set 1qmgA:Skipped atom 907, because occupancy 0.5 <= existing 0.500001 Skipped atom 908, because occupancy 0.5 <= existing 0.500001 Skipped atom 2536, because occupancy 0.5 <= existing 0.500001 Skipped atom 2537, because occupancy 0.5 <= existing 0.500001 Skipped atom 3115, because occupancy 0.5 <= existing 0.500001 Skipped atom 3116, because occupancy 0.5 <= existing 0.500001 Skipped atom 3512, because occupancy 0.5 <= existing 0.500001 Skipped atom 3513, because occupancy 0.5 <= existing 0.500001 # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVT 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKI Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.71113 Ang I9.CD1 and V38.CG1 other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB Number of specific fragments= 1 total=231 Number of alignments=39 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1qmgA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVV 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVK Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB T0187 71 :TKYGHS 1qmgA 161 :LRKGSN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.3017 Ang T2.CB and H6.NE2 other bump:1.57663 Ang T2.OG1 and H6.NE2 other bump:2.91889 Ang T2.CB and H6.CE1 other bump:2.27187 Ang T2.OG1 and H6.CE1 other bump:2.14435 Ang K3.O and H6.CE1 other bump:3.13875 Ang K3.C and H6.CE1 other bump:1.40289 Ang K3.O and H6.ND1 other bump:2.61882 Ang K3.C and H6.ND1 other bump:2.38106 Ang T2.CB and H6.CD2 other bump:2.44719 Ang T2.OG1 and H6.CD2 other bump:3.03288 Ang T2.CB and H6.CG T0187 77 :EGPIDD 1qmgA 176 :FSEENG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 104 :VLELVDQ 1qmgA 186 :MWETISG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 114 :NDTVLFLLS 1qmgA 193 :SDLVLLLIS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06301 Ang V5.CG1 and F7.CZ other bump:2.95304 Ang V5.CG1 and F7.CE2 other bump:1.84333 Ang V5.CG1 and F7.CE1 other bump:2.59248 Ang V5.CG1 and F7.CD1 Number of specific fragments= 5 total=236 Number of alignments=40 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1qmgA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVT 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKI Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.71113 Ang I9.CD1 and V38.CG1 other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB Number of specific fragments= 1 total=237 Number of alignments=41 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1qmgA read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1qmgA/T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVV 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVK Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB T0187 71 :TKYGHS 1qmgA 161 :LRKGSN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.3017 Ang T2.CB and H6.NE2 other bump:1.57663 Ang T2.OG1 and H6.NE2 other bump:2.91889 Ang T2.CB and H6.CE1 other bump:2.27187 Ang T2.OG1 and H6.CE1 other bump:2.14435 Ang K3.O and H6.CE1 other bump:3.13875 Ang K3.C and H6.CE1 other bump:1.40289 Ang K3.O and H6.ND1 other bump:2.61882 Ang K3.C and H6.ND1 other bump:2.38106 Ang T2.CB and H6.CD2 other bump:2.44719 Ang T2.OG1 and H6.CD2 other bump:3.03288 Ang T2.CB and H6.CG T0187 77 :EGPIDD 1qmgA 176 :FSEENG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 104 :VLELVDQ 1qmgA 186 :MWETISG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 114 :NDTVLFLLS 1qmgA 193 :SDLVLLLIS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06301 Ang V5.CG1 and F7.CZ other bump:2.95304 Ang V5.CG1 and F7.CE2 other bump:1.84333 Ang V5.CG1 and F7.CE1 other bump:2.59248 Ang V5.CG1 and F7.CD1 Number of specific fragments= 5 total=242 Number of alignments=42 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 2pgi read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # adding 2pgi to template set 2pgi:# found chain 2pgi in template set T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 73 :DALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L6.CG and M16.CE other bump:1.40136 Ang L6.CD1 and M16.CE other bump:3.06019 Ang L6.CG and M16.SD other bump:3.34194 Ang L6.CD2 and M16.SD other bump:1.79585 Ang L6.CD1 and M16.SD other bump:3.08662 Ang A8.CB and A12.C other bump:2.44589 Ang A8.CB and A12.O other bump:3.14375 Ang A8.CB and A12.CB T0187 76 :SEGPIDDFEIYEAGHPVP 2pgi 99 :HNQMNDTTQIYFAGQNIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74595 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 101 :TRRVLELVDQLNENDTVLFLLSGGG 2pgi 117 :STYISHLLDVLEGKDLSINVISKSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.70544 Ang N13.OD1 and E14.CD neighbor-bump: 2.08172 Ang N13.OD1 and E14.CG neighbor-bump: 2.69555 Ang N13.C and E14.CB other bump:2.98495 Ang R4.NH1 and L8.CD2 other bump:2.59724 Ang R4.NH1 and L8.CB Number of specific fragments= 3 total=245 Number of alignments=43 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 2pgi read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGK 2pgi 72 :SDALVVIGIGGSYLGARAAIEALSHT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 75 :HSEGPIDDFEIYEAGHPVPDE 2pgi 98 :FHNQMNDTTQIYFAGQNISST Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.74594 Ang P18.CB and P20.CD other bump:2.8924 Ang P18.C and P20.CD neighbor-bump: 2.45551 Ang V19.N and P20.CD neighbor-bump: 2.27214 Ang H17.N and P18.CD neighbor-bump: 2.41258 Ang H17.CA and P18.CD neighbor-bump: 1.90141 Ang H17.C and P18.CD other bump:2.9642 Ang E4.OE2 and Y13.CE2 other bump:2.738 Ang E4.OE1 and Y13.CE1 other bump:1.67548 Ang P6.O and D9.OD1 other bump:2.86836 Ang P6.C and D9.OD1 other bump:2.55725 Ang S3.O and D9.CG other bump:2.80996 Ang S3.CA and P6.CD other bump:1.99955 Ang S3.O and P6.CD other bump:2.28824 Ang S3.C and P6.CD neighbor-bump: 2.56068 Ang G5.N and P6.CD other bump:1.97467 Ang H2.O and P6.CD other bump:2.90699 Ang H2.C and P6.CD other bump:2.85036 Ang S3.CA and P6.CG other bump:2.28567 Ang S3.O and P6.CG other bump:2.80616 Ang S3.C and P6.CG T0187 103 :RVLELVDQLNENDTVLFLLSGGGS 2pgi 119 :YISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.70544 Ang N11.OD1 and E12.CD neighbor-bump: 2.08172 Ang N11.OD1 and E12.CG neighbor-bump: 2.69555 Ang N11.C and E12.CB other bump:2.98496 Ang R2.NH1 and L6.CD2 other bump:2.59724 Ang R2.NH1 and L6.CB Number of specific fragments= 3 total=248 Number of alignments=44 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 2pgi read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 73 :DALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L6.CG and M16.CE other bump:1.40136 Ang L6.CD1 and M16.CE other bump:3.06019 Ang L6.CG and M16.SD other bump:3.34194 Ang L6.CD2 and M16.SD other bump:1.79585 Ang L6.CD1 and M16.SD other bump:3.08662 Ang A8.CB and A12.C other bump:2.44589 Ang A8.CB and A12.O other bump:3.14375 Ang A8.CB and A12.CB T0187 76 :SEGPIDDFEIYEAGHPVP 2pgi 99 :HNQMNDTTQIYFAGQNIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74595 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 101 :TRRVLELVDQLNENDTVLFLLSGGG 2pgi 117 :STYISHLLDVLEGKDLSINVISKSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.70544 Ang N13.OD1 and E14.CD neighbor-bump: 2.08172 Ang N13.OD1 and E14.CG neighbor-bump: 2.69555 Ang N13.C and E14.CB other bump:2.98495 Ang R4.NH1 and L8.CD2 other bump:2.59724 Ang R4.NH1 and L8.CB Number of specific fragments= 3 total=251 Number of alignments=45 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 2pgi read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGK 2pgi 72 :SDALVVIGIGGSYLGARAAIEALSHT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 75 :HSEGPIDDFEIYEAGHPVPDE 2pgi 98 :FHNQMNDTTQIYFAGQNISST Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.74594 Ang P18.CB and P20.CD other bump:2.8924 Ang P18.C and P20.CD neighbor-bump: 2.45551 Ang V19.N and P20.CD neighbor-bump: 2.27214 Ang H17.N and P18.CD neighbor-bump: 2.41258 Ang H17.CA and P18.CD neighbor-bump: 1.90141 Ang H17.C and P18.CD other bump:2.9642 Ang E4.OE2 and Y13.CE2 other bump:2.738 Ang E4.OE1 and Y13.CE1 other bump:1.67548 Ang P6.O and D9.OD1 other bump:2.86836 Ang P6.C and D9.OD1 other bump:2.55725 Ang S3.O and D9.CG other bump:2.80996 Ang S3.CA and P6.CD other bump:1.99955 Ang S3.O and P6.CD other bump:2.28824 Ang S3.C and P6.CD neighbor-bump: 2.56068 Ang G5.N and P6.CD other bump:1.97467 Ang H2.O and P6.CD other bump:2.90699 Ang H2.C and P6.CD other bump:2.85036 Ang S3.CA and P6.CG other bump:2.28567 Ang S3.O and P6.CG other bump:2.80616 Ang S3.C and P6.CG T0187 103 :RVLELVDQLNENDTVLFLLSGGGS 2pgi 119 :YISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.70544 Ang N11.OD1 and E12.CD neighbor-bump: 2.08172 Ang N11.OD1 and E12.CG neighbor-bump: 2.69555 Ang N11.C and E12.CB other bump:2.98496 Ang R2.NH1 and L6.CD2 other bump:2.59724 Ang R2.NH1 and L6.CB Number of specific fragments= 3 total=254 Number of alignments=46 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKLAIE 1lk5A 2 :NVEEMKKIAAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 30 :ETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 13 :EALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 70 clashes (null) has 70 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.93148 Ang W22.CZ2 and S48.O other bump:2.46359 Ang W22.CH2 and S48.O other bump:2.53308 Ang L14.CB and Y45.OH other bump:1.64466 Ang L14.CG and Y45.OH other bump:2.33503 Ang L14.CD1 and Y45.OH other bump:0.638222 Ang L14.CD2 and Y45.OH other bump:2.94336 Ang L14.CB and Y45.CZ other bump:1.47213 Ang L14.CG and Y45.CZ other bump:1.79385 Ang L14.CD1 and Y45.CZ other bump:1.24398 Ang L14.CD2 and Y45.CZ other bump:3.24322 Ang L14.CA and Y45.CE2 other bump:2.62184 Ang L14.CB and Y45.CE2 other bump:1.24849 Ang L14.CG and Y45.CE2 other bump:1.75262 Ang L14.CD1 and Y45.CE2 other bump:2.10936 Ang L14.CD2 and Y45.CE2 other bump:3.15501 Ang L14.C and Y45.CE2 other bump:2.81543 Ang L14.CG and Y45.CE1 other bump:2.59558 Ang L14.CD1 and Y45.CE1 other bump:2.34783 Ang L14.CD2 and Y45.CE1 other bump:2.9765 Ang V15.C and Y45.CD2 other bump:2.60529 Ang L14.CG and Y45.CD2 other bump:2.54109 Ang L14.CD1 and Y45.CD2 other bump:2.98284 Ang V15.CB and V42.CG1 other bump:1.70992 Ang V15.CG2 and V42.CG1 other bump:2.2347 Ang L9.CD2 and V40.CG1 other bump:3.1748 Ang L9.CB and K38.C other bump:2.49848 Ang L9.CG and K38.C other bump:1.68747 Ang L9.CD1 and K38.C other bump:2.60664 Ang L9.CD2 and K38.C other bump:2.09689 Ang L9.CB and K38.O other bump:1.76208 Ang L9.CG and K38.O other bump:1.75824 Ang L9.CD1 and K38.O other bump:1.90323 Ang L9.CD2 and K38.O other bump:2.0818 Ang L9.CD1 and K38.CB other bump:2.73643 Ang L9.CG and K38.CA other bump:1.33547 Ang L9.CD1 and K38.CA other bump:2.13282 Ang L9.CG and K38.N other bump:1.17812 Ang L9.CD1 and K38.N other bump:2.96296 Ang L9.CD2 and K38.N other bump:3.22838 Ang L9.CG and R37.C other bump:2.50543 Ang L9.CD1 and R37.C other bump:2.73089 Ang L7.CB and R37.NH2 other bump:2.89966 Ang V31.CG1 and R37.CD other bump:3.14689 Ang V31.CG1 and R37.CG other bump:2.88717 Ang V31.CB and I36.CD1 other bump:2.2682 Ang V31.CG1 and I36.CD1 other bump:2.19841 Ang V31.CG1 and I36.CG1 other bump:2.57186 Ang A25.O and Y29.CD1 other bump:2.22415 Ang T3.CG2 and M24.CE other bump:2.87709 Ang T3.OG1 and M24.CE other bump:1.78461 Ang T3.CB and M24.CE other bump:2.88304 Ang T3.CA and M24.CE other bump:2.37878 Ang G18.O and W22.CD1 other bump:2.64843 Ang N8.CB and R11.NH2 other bump:0.97944 Ang N8.OD1 and R11.NH2 other bump:1.66658 Ang N8.CG and R11.NH2 other bump:2.56884 Ang N8.ND2 and R11.NH2 other bump:2.90782 Ang N8.N and R11.CZ other bump:2.76299 Ang N8.CB and R11.CZ other bump:2.07674 Ang N8.OD1 and R11.CZ other bump:2.49474 Ang N8.CG and R11.CZ other bump:2.53361 Ang N8.CA and R11.NE other bump:1.92554 Ang N8.N and R11.NE other bump:2.33192 Ang N8.CB and R11.NE other bump:2.73827 Ang N8.CG and R11.NE other bump:3.31544 Ang N8.CA and R11.CD other bump:2.5563 Ang N8.N and R11.CD neighbor-bump: 2.4039 Ang L9.CB and D10.N self-bump: 2.18975 Ang L9.CB and L9.C self-bump: 1.28154 Ang L9.CA and L9.CB T0187 77 :EGPIDDFEIYEAGHPVPDEN 1lk5A 74 :LDQVDAIDVAVDGADEVDPN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 97 :TIKTTRRVLELVDQ 1lk5A 102 :AALTMEKIIEYRAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80181 Ang E11.CA and D14.OD2 T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVSL 1lk5A 123 :ERKLVDYLCQKMPV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=261 Number of alignments=47 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1lk5A read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/1lk5A/T0187-1lk5A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKL 1lk5A 2 :NVEEMKKI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 27 :AVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 10 :AAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 76 clashes (null) has 76 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.93148 Ang W25.CZ2 and S51.O other bump:2.46359 Ang W25.CH2 and S51.O other bump:2.53308 Ang L17.CB and Y48.OH other bump:1.64466 Ang L17.CG and Y48.OH other bump:2.33503 Ang L17.CD1 and Y48.OH other bump:0.638222 Ang L17.CD2 and Y48.OH other bump:2.94336 Ang L17.CB and Y48.CZ other bump:1.47213 Ang L17.CG and Y48.CZ other bump:1.79385 Ang L17.CD1 and Y48.CZ other bump:1.24398 Ang L17.CD2 and Y48.CZ other bump:3.24322 Ang L17.CA and Y48.CE2 other bump:2.62184 Ang L17.CB and Y48.CE2 other bump:1.24849 Ang L17.CG and Y48.CE2 other bump:1.75262 Ang L17.CD1 and Y48.CE2 other bump:2.10936 Ang L17.CD2 and Y48.CE2 other bump:3.15501 Ang L17.C and Y48.CE2 other bump:2.81543 Ang L17.CG and Y48.CE1 other bump:2.59558 Ang L17.CD1 and Y48.CE1 other bump:2.34783 Ang L17.CD2 and Y48.CE1 other bump:2.9765 Ang V18.C and Y48.CD2 other bump:2.60529 Ang L17.CG and Y48.CD2 other bump:2.54109 Ang L17.CD1 and Y48.CD2 other bump:2.98284 Ang V18.CB and V45.CG1 other bump:1.70992 Ang V18.CG2 and V45.CG1 other bump:2.2347 Ang L12.CD2 and V43.CG1 other bump:3.1748 Ang L12.CB and K41.C other bump:2.49848 Ang L12.CG and K41.C other bump:1.68747 Ang L12.CD1 and K41.C other bump:2.60664 Ang L12.CD2 and K41.C other bump:2.09689 Ang L12.CB and K41.O other bump:1.76208 Ang L12.CG and K41.O other bump:1.75824 Ang L12.CD1 and K41.O other bump:1.90323 Ang L12.CD2 and K41.O other bump:2.0818 Ang L12.CD1 and K41.CB other bump:2.73643 Ang L12.CG and K41.CA other bump:1.33547 Ang L12.CD1 and K41.CA other bump:2.13282 Ang L12.CG and K41.N other bump:1.17812 Ang L12.CD1 and K41.N other bump:2.96296 Ang L12.CD2 and K41.N other bump:3.22838 Ang L12.CG and R40.C other bump:2.50543 Ang L12.CD1 and R40.C other bump:2.73089 Ang L10.CB and R40.NH2 other bump:2.89966 Ang V34.CG1 and R40.CD other bump:3.14689 Ang V34.CG1 and R40.CG other bump:2.88717 Ang V34.CB and I39.CD1 other bump:2.2682 Ang V34.CG1 and I39.CD1 other bump:2.19841 Ang V34.CG1 and I39.CG1 other bump:2.57186 Ang A28.O and Y32.CD1 other bump:2.22415 Ang T6.CG2 and M27.CE other bump:2.87709 Ang T6.OG1 and M27.CE other bump:2.41656 Ang V3.O and M27.CE other bump:1.78461 Ang T6.CB and M27.CE other bump:2.88304 Ang T6.CA and M27.CE other bump:3.00813 Ang V3.CG1 and M27.CB other bump:2.50038 Ang V3.CG1 and M27.CA other bump:2.39952 Ang V3.CG1 and M27.N other bump:2.81892 Ang V3.CG1 and R26.C other bump:2.37878 Ang G21.O and W25.CD1 other bump:2.46421 Ang V3.CG2 and A23.O other bump:2.64843 Ang N11.CB and R14.NH2 other bump:0.97944 Ang N11.OD1 and R14.NH2 other bump:1.66658 Ang N11.CG and R14.NH2 other bump:2.56884 Ang N11.ND2 and R14.NH2 other bump:2.90782 Ang N11.N and R14.CZ other bump:2.76299 Ang N11.CB and R14.CZ other bump:2.07674 Ang N11.OD1 and R14.CZ other bump:2.49474 Ang N11.CG and R14.CZ other bump:2.53361 Ang N11.CA and R14.NE other bump:1.92554 Ang N11.N and R14.NE other bump:2.33192 Ang N11.CB and R14.NE other bump:2.73827 Ang N11.CG and R14.NE other bump:3.31544 Ang N11.CA and R14.CD other bump:2.5563 Ang N11.N and R14.CD neighbor-bump: 2.4039 Ang L12.CB and D13.N self-bump: 2.18975 Ang L12.CB and L12.C self-bump: 1.28154 Ang L12.CA and L12.CB T0187 77 :EGPIDDFEIYEAGHPVPDEN 1lk5A 74 :LDQVDAIDVAVDGADEVDPN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 97 :TIKTTRRVLEL 1lk5A 102 :AALTMEKIIEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 113 :ENDTVLFLLS 1lk5A 113 :RAGTFIVLVD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.10367 Ang F8.CE1 and L10.CD2 other bump:2.26496 Ang F8.CZ and L10.CD2 other bump:1.43176 Ang F8.CE1 and L10.CD1 other bump:2.31974 Ang F8.CZ and L10.CD1 other bump:2.47416 Ang F8.CD1 and L10.CD1 other bump:1.64771 Ang F8.CE1 and L10.CG other bump:2.46238 Ang F8.CD1 and L10.CG other bump:2.86142 Ang N3.CG and T5.C other bump:2.39537 Ang N3.OD1 and T5.C other bump:2.43991 Ang N3.CG and T5.O other bump:2.30645 Ang N3.ND2 and T5.O other bump:2.12092 Ang N3.OD1 and T5.O other bump:2.74454 Ang N3.OD1 and T5.CA other bump:2.11361 Ang N3.OD1 and T5.N T0187 125 :GSSLFELPLEGVS 1lk5A 123 :ERKLVDYLCQKMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=268 Number of alignments=48 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 2pgi read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 3 :DPESLKKLA 2pgi 13 :FMQENELDY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13496 Ang L6.CD2 and L9.CD1 neighbor-bump: 2.40762 Ang D2.CB and P3.CD neighbor-bump: 1.61119 Ang D2.C and P3.CD neighbor-bump: 2.35235 Ang D2.N and P3.CD neighbor-bump: 2.1171 Ang D2.CA and P3.CD neighbor-bump: 2.5041 Ang D2.C and P3.CG T0187 12 :IEIVKKS 2pgi 23 :SEFVKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 25 :DRAVKE 2pgi 30 :HHMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 37 :LDRVILVAV 2pgi 259 :GKAIELLVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 46 :GKAAWRMAKAAYEVLG 2pgi 269 :EPSLHYVSEWWKQLFG Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.85298 Ang W6.CZ3 and R7.NH2 neighbor-bump: 2.09669 Ang W6.CH2 and R7.NH2 neighbor-bump: 2.64628 Ang W6.CZ2 and R7.NH2 neighbor-bump: 1.56034 Ang W6.CZ3 and R7.NH1 neighbor-bump: 1.96402 Ang W6.CH2 and R7.NH1 neighbor-bump: 2.33911 Ang W6.CD2 and R7.NH1 neighbor-bump: 2.60497 Ang W6.CE2 and R7.NH1 neighbor-bump: 2.48453 Ang W6.CZ2 and R7.NH1 neighbor-bump: 1.81702 Ang W6.CE3 and R7.NH1 neighbor-bump: 1.534 Ang W6.CZ3 and R7.CZ neighbor-bump: 1.10216 Ang W6.CH2 and R7.CZ neighbor-bump: 2.86158 Ang W6.CE2 and R7.CZ neighbor-bump: 2.04779 Ang W6.CZ2 and R7.CZ neighbor-bump: 2.56057 Ang W6.CE3 and R7.CZ neighbor-bump: 1.35014 Ang W6.CZ3 and R7.NE neighbor-bump: 0.819066 Ang W6.CH2 and R7.NE neighbor-bump: 2.15492 Ang W6.CZ2 and R7.NE neighbor-bump: 2.65226 Ang W6.CE3 and R7.NE neighbor-bump: 1.32027 Ang W6.CZ3 and R7.CD neighbor-bump: 1.80317 Ang W6.CH2 and R7.CD neighbor-bump: 2.77122 Ang W6.CZ2 and R7.CD neighbor-bump: 2.15236 Ang W6.CE3 and R7.CD neighbor-bump: 2.47615 Ang W6.CZ3 and R7.CG neighbor-bump: 2.419 Ang W6.CH2 and R7.CG neighbor-bump: 2.90272 Ang W6.CE2 and R7.CG neighbor-bump: 2.66265 Ang W6.CZ2 and R7.CG neighbor-bump: 2.75222 Ang W6.CE3 and R7.CG other bump:2.52553 Ang K3.O and W6.CD1 T0187 62 :KKIRKGVVVTKYGHSEG 2pgi 290 :DQKGLFPASVDFTTDLH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.93273 Ang V10.C and T11.CG2 neighbor-bump: 1.90245 Ang I4.O and R5.CG neighbor-bump: 2.7489 Ang I4.C and R5.CG T0187 79 :PIDDFE 2pgi 315 :GRRNLI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.75777 Ang D5.OD1 and F6.CE1 neighbor-bump: 2.90102 Ang D5.OD1 and F6.CD1 other bump:2.81007 Ang I3.CG2 and D5.OD2 other bump:2.83448 Ang I3.CG2 and D5.CG self-bump: 1.38877 Ang P2.N and P2.CD T0187 85 :IYEAGHPVPD 2pgi 326 :VKKPQIELTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 95 :ENTIKTTRRVLELVDQLN 2pgi 357 :NKKAFQGTLLAHVDGGVP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.0998 Ang E13.OE2 and D16.OD2 other bump:2.45949 Ang E13.C and D16.OD1 other bump:1.57454 Ang E13.O and D16.OD1 other bump:3.13027 Ang E13.C and D16.CG other bump:2.54874 Ang E13.O and D16.CG other bump:2.95882 Ang E13.CA and D16.CG T0187 115 :DTVLFLLSGG 2pgi 375 :NLIVELDEMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 125 :GSSLFELPL 2pgi 407 :GVNPFDQPG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86221 Ang E7.CG and P9.CD neighbor-bump: 2.93407 Ang E7.C and L8.CD2 neighbor-bump: 1.86342 Ang E7.O and L8.CD2 neighbor-bump: 2.4124 Ang E7.O and L8.CG T0187 134 :EGV 2pgi 430 :PGF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.48764 Ang G1.O and V4.CG2 T0187 138 :LEEIQKLTSA 2pgi 433 :EDEKAALMKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 14 total=282 Number of alignments=49 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 2pgi read from /projects/compbio/experiments/casp5/t0187/t0187-1-150/2pgi/T0187-2pgi-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 4 :PESLKKLAI 2pgi 13 :FMQENELDY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.75065 Ang G1.C and P2.CD self-bump: 1.34093 Ang P2.N and P2.CD neighbor-bump: 2.8202 Ang G1.C and P2.CG self-bump: 2.20561 Ang P2.N and P2.CG T0187 13 :EIVKKS 2pgi 24 :EFVKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 25 :DRAVKE 2pgi 30 :HHMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 37 :LDRVILVAV 2pgi 259 :GKAIELLVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 46 :GKAAWRMAKAAYEVL 2pgi 269 :EPSLHYVSEWWKQLF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.85298 Ang W6.CZ3 and R7.NH2 neighbor-bump: 2.09669 Ang W6.CH2 and R7.NH2 neighbor-bump: 2.64628 Ang W6.CZ2 and R7.NH2 neighbor-bump: 1.56034 Ang W6.CZ3 and R7.NH1 neighbor-bump: 1.96402 Ang W6.CH2 and R7.NH1 neighbor-bump: 2.33911 Ang W6.CD2 and R7.NH1 neighbor-bump: 2.60497 Ang W6.CE2 and R7.NH1 neighbor-bump: 2.48453 Ang W6.CZ2 and R7.NH1 neighbor-bump: 1.81702 Ang W6.CE3 and R7.NH1 neighbor-bump: 1.534 Ang W6.CZ3 and R7.CZ neighbor-bump: 1.10216 Ang W6.CH2 and R7.CZ neighbor-bump: 2.86158 Ang W6.CE2 and R7.CZ neighbor-bump: 2.04779 Ang W6.CZ2 and R7.CZ neighbor-bump: 2.56057 Ang W6.CE3 and R7.CZ neighbor-bump: 1.35014 Ang W6.CZ3 and R7.NE neighbor-bump: 0.819066 Ang W6.CH2 and R7.NE neighbor-bump: 2.15492 Ang W6.CZ2 and R7.NE neighbor-bump: 2.65226 Ang W6.CE3 and R7.NE neighbor-bump: 1.32027 Ang W6.CZ3 and R7.CD neighbor-bump: 1.80317 Ang W6.CH2 and R7.CD neighbor-bump: 2.77122 Ang W6.CZ2 and R7.CD neighbor-bump: 2.15236 Ang W6.CE3 and R7.CD neighbor-bump: 2.47615 Ang W6.CZ3 and R7.CG neighbor-bump: 2.419 Ang W6.CH2 and R7.CG neighbor-bump: 2.90272 Ang W6.CE2 and R7.CG neighbor-bump: 2.66265 Ang W6.CZ2 and R7.CG neighbor-bump: 2.75222 Ang W6.CE3 and R7.CG other bump:2.52553 Ang K3.O and W6.CD1 T0187 62 :KKIRKGVVVTKYGHSEG 2pgi 290 :DQKGLFPASVDFTTDLH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.93273 Ang V10.C and T11.CG2 neighbor-bump: 1.90245 Ang I4.O and R5.CG neighbor-bump: 2.7489 Ang I4.C and R5.CG T0187 79 :PIDDFE 2pgi 315 :GRRNLI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.75777 Ang D5.OD1 and F6.CE1 neighbor-bump: 2.90102 Ang D5.OD1 and F6.CD1 other bump:2.81007 Ang I3.CG2 and D5.OD2 other bump:2.83448 Ang I3.CG2 and D5.CG self-bump: 1.38877 Ang P2.N and P2.CD T0187 85 :IYEAGHPVPD 2pgi 326 :VKKPQIELTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 95 :ENTIKTTRRVLELVDQLN 2pgi 357 :NKKAFQGTLLAHVDGGVP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.0998 Ang E13.OE2 and D16.OD2 other bump:2.45949 Ang E13.C and D16.OD1 other bump:1.57454 Ang E13.O and D16.OD1 other bump:3.13027 Ang E13.C and D16.CG other bump:2.54874 Ang E13.O and D16.CG other bump:2.95882 Ang E13.CA and D16.CG T0187 115 :DTVLFLLSGG 2pgi 375 :NLIVELDEMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 128 :LFELPLE 2pgi 405 :LLGVNPF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.39764 Ang P6.CA and P6.CB other bump:2.15782 Ang F3.CD1 and L5.CD2 other bump:2.95696 Ang F3.CG and L5.CD2 other bump:2.2121 Ang F3.CD1 and L5.CD1 other bump:2.30864 Ang F3.CE1 and L5.CD1 other bump:2.58876 Ang F3.CD1 and L5.CG neighbor-bump: 2.69478 Ang F3.C and E4.CB T0187 136 :VS 2pgi 412 :DQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 138 :LEEIQKLTSALL 2pgi 416 :VEAYKKNMFALL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 14 total=296 Number of alignments=50 # command:# Reading fragments from alignment file # T0187 read from T0187.t2k-2track-undertaker.a2m # command:# reading script from file try-alignments.under # Prefix for input files set to 1jeoA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1jeoA-T0187-local-adpstyle1.pw.a2m.gz # 1jeoA read from 1jeoA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 11 :AIEIVKKSIEAVF 1jeoA 16 :ILKKFYTNDEWKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 24 :PDRAVKETLPK 1jeoA 30 :LDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKIRK 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGFKS Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.61473 Ang V23.CA and K30.NZ other bump:2.40044 Ang V23.CB and K30.NZ other bump:2.65212 Ang V23.CG2 and K30.NZ other bump:1.89137 Ang V23.N and K30.NZ other bump:1.59718 Ang A19.O and K30.NZ other bump:2.61306 Ang A19.C and K30.NZ other bump:2.8459 Ang A20.CA and K30.NZ other bump:2.47569 Ang A20.C and K30.NZ other bump:1.98706 Ang V23.CB and K30.CE other bump:3.06396 Ang V23.CG1 and K30.CE other bump:2.60188 Ang V23.CG2 and K30.CE other bump:2.66681 Ang A20.CA and K30.CE other bump:2.11214 Ang A20.O and K30.CE other bump:2.59608 Ang A20.C and K30.CE other bump:2.25156 Ang A20.CA and K30.CD other bump:1.17031 Ang A20.O and K30.CD other bump:1.86041 Ang A20.C and K30.CD other bump:3.22559 Ang A20.CA and K30.CG other bump:2.53267 Ang A20.O and K30.CG other bump:3.19805 Ang A20.C and K30.CG other bump:2.37054 Ang V23.CG1 and I28.CD1 other bump:3.13785 Ang V23.CG1 and I28.CG1 other bump:2.91082 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 83 :FEIYEAGHPV 1jeoA 70 :YFVGETTTPS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.13221 Ang I4.CD1 and H9.NE2 other bump:1.84589 Ang I4.CG1 and H9.NE2 other bump:2.41096 Ang I4.CD1 and H9.CE1 other bump:2.51091 Ang I4.CG1 and H9.CE1 other bump:2.91286 Ang F2.CB and H9.ND1 other bump:2.97421 Ang I4.CD1 and H9.ND1 other bump:2.58811 Ang I4.CG1 and H9.ND1 other bump:1.23008 Ang I4.CD1 and H9.CD2 other bump:2.84851 Ang I4.CB and H9.CD2 other bump:1.41252 Ang I4.CG1 and H9.CD2 other bump:2.50984 Ang I4.CD1 and H9.CG other bump:2.01879 Ang I4.CG1 and H9.CG neighbor-bump: 2.00962 Ang I4.O and Y5.CD1 neighbor-bump: 2.53974 Ang I4.O and Y5.CG self-bump: 1.39808 Ang Y5.CA and Y5.CB neighbor-bump: 3.11415 Ang I4.CG2 and Y5.CA neighbor-bump: 1.96535 Ang I4.CG2 and Y5.N self-bump: 2.381 Ang I4.CG2 and I4.C self-bump: 1.33889 Ang I4.CA and I4.CB T0187 112 :NENDTVLFLLSGGGSS 1jeoA 80 :YEKDDLLILISGSGRT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.14507 Ang N2.ND2 and T6.OG1 Number of specific fragments= 5 total=301 Number of alignments=51 # Reading fragments from alignment file # T0187 read from 1jeoA-T0187-local-adpstyle5.pw.a2m.gz # 1jeoA read from 1jeoA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 9 :KLAIEIVKKSIEAVFPDRAVKETLPKL 1jeoA 11 :SNNILILKKFYTNDEWKNKLDSLIDRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:1.48274 Ang K22.O and P26.CD other bump:2.60473 Ang K22.C and P26.CD other bump:3.04685 Ang E23.C and P26.CD other bump:1.81532 Ang K22.O and P26.CG other bump:2.9234 Ang K22.C and P26.CG other bump:2.62247 Ang S11.OG and V21.CG2 neighbor-bump: 2.66917 Ang F16.N and P17.CD T0187 36 :NLDRVILVAVGK 1jeoA 39 :KAKKIFIFGVGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3733 Ang D4.CA and D4.CB T0187 52 :MAKAAYEVLGKKIRKGVVV 1jeoA 51 :SGYIGRCFAMRLMHLGFKS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.31527 Ang V18.CG1 and V20.CG2 other bump:2.76153 Ang K13.CB and V20.CG2 other bump:3.11299 Ang K13.C and V20.CG2 other bump:3.10453 Ang I14.N and V20.CG2 other bump:2.74598 Ang I14.CG1 and V20.CB other bump:3.04433 Ang K13.CB and V18.CG1 other bump:2.07163 Ang K13.O and V18.CG1 other bump:2.47841 Ang K13.C and V18.CG1 other bump:2.62943 Ang K12.CD and R15.NH1 T0187 83 :FEIYEAGHPV 1jeoA 70 :YFVGETTTPS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.13221 Ang I4.CD1 and H9.NE2 other bump:1.84589 Ang I4.CG1 and H9.NE2 other bump:2.41096 Ang I4.CD1 and H9.CE1 other bump:2.51091 Ang I4.CG1 and H9.CE1 other bump:2.91286 Ang F2.CB and H9.ND1 other bump:2.97421 Ang I4.CD1 and H9.ND1 other bump:2.58811 Ang I4.CG1 and H9.ND1 other bump:1.23008 Ang I4.CD1 and H9.CD2 other bump:2.84851 Ang I4.CB and H9.CD2 other bump:1.41252 Ang I4.CG1 and H9.CD2 other bump:2.50984 Ang I4.CD1 and H9.CG other bump:2.01879 Ang I4.CG1 and H9.CG neighbor-bump: 2.00962 Ang I4.O and Y5.CD1 neighbor-bump: 2.53974 Ang I4.O and Y5.CG self-bump: 1.39808 Ang Y5.CA and Y5.CB neighbor-bump: 3.11415 Ang I4.CG2 and Y5.CA neighbor-bump: 1.96535 Ang I4.CG2 and Y5.N self-bump: 2.381 Ang I4.CG2 and I4.C self-bump: 1.33889 Ang I4.CA and I4.CB T0187 101 :TRRVLELVDQLNENDTVLFLL 1jeoA 95 :TESVLTVAKKAKNINNNIIAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38043 Ang N15.CA and N15.CB T0187 127 :SL 1jeoA 121 :NV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=307 Number of alignments=52 # Reading fragments from alignment file # T0187 read from 1jeoA-T0187-vit-adpstyle1.pw.a2m.gz # 1jeoA read from 1jeoA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 11 :AIEIVKKSIEAVF 1jeoA 16 :ILKKFYTNDEWKN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 24 :PDRAVKETLPK 1jeoA 30 :LDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKIRK 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGFKS Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.61473 Ang V23.CA and K30.NZ other bump:2.40044 Ang V23.CB and K30.NZ other bump:2.65212 Ang V23.CG2 and K30.NZ other bump:1.89137 Ang V23.N and K30.NZ other bump:1.59718 Ang A19.O and K30.NZ other bump:2.61306 Ang A19.C and K30.NZ other bump:2.8459 Ang A20.CA and K30.NZ other bump:2.47569 Ang A20.C and K30.NZ other bump:1.98706 Ang V23.CB and K30.CE other bump:3.06396 Ang V23.CG1 and K30.CE other bump:2.60188 Ang V23.CG2 and K30.CE other bump:2.66681 Ang A20.CA and K30.CE other bump:2.11214 Ang A20.O and K30.CE other bump:2.59608 Ang A20.C and K30.CE other bump:2.25156 Ang A20.CA and K30.CD other bump:1.17031 Ang A20.O and K30.CD other bump:1.86041 Ang A20.C and K30.CD other bump:3.22559 Ang A20.CA and K30.CG other bump:2.53267 Ang A20.O and K30.CG other bump:3.19805 Ang A20.C and K30.CG other bump:2.37054 Ang V23.CG1 and I28.CD1 other bump:3.13785 Ang V23.CG1 and I28.CG1 other bump:2.91082 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 83 :FEIYEAGHPV 1jeoA 70 :YFVGETTTPS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.13221 Ang I4.CD1 and H9.NE2 other bump:1.84589 Ang I4.CG1 and H9.NE2 other bump:2.41096 Ang I4.CD1 and H9.CE1 other bump:2.51091 Ang I4.CG1 and H9.CE1 other bump:2.91286 Ang F2.CB and H9.ND1 other bump:2.97421 Ang I4.CD1 and H9.ND1 other bump:2.58811 Ang I4.CG1 and H9.ND1 other bump:1.23008 Ang I4.CD1 and H9.CD2 other bump:2.84851 Ang I4.CB and H9.CD2 other bump:1.41252 Ang I4.CG1 and H9.CD2 other bump:2.50984 Ang I4.CD1 and H9.CG other bump:2.01879 Ang I4.CG1 and H9.CG neighbor-bump: 2.00962 Ang I4.O and Y5.CD1 neighbor-bump: 2.53974 Ang I4.O and Y5.CG self-bump: 1.39808 Ang Y5.CA and Y5.CB neighbor-bump: 3.11415 Ang I4.CG2 and Y5.CA neighbor-bump: 1.96535 Ang I4.CG2 and Y5.N self-bump: 2.381 Ang I4.CG2 and I4.C self-bump: 1.33889 Ang I4.CA and I4.CB T0187 112 :NENDTVLFLLSGGGSS 1jeoA 80 :YEKDDLLILISGSGRT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.14507 Ang N2.ND2 and T6.OG1 Number of specific fragments= 5 total=312 Number of alignments=53 # Reading fragments from alignment file # T0187 read from 1jeoA-T0187-vit-adpstyle5.pw.a2m.gz # 1jeoA read from 1jeoA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 9 :KLAIEIVKKSIEAVFPDRAVKETLPKL 1jeoA 11 :SNNILILKKFYTNDEWKNKLDSLIDRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:1.48274 Ang K22.O and P26.CD other bump:2.60473 Ang K22.C and P26.CD other bump:3.04685 Ang E23.C and P26.CD other bump:1.81532 Ang K22.O and P26.CG other bump:2.9234 Ang K22.C and P26.CG other bump:2.62247 Ang S11.OG and V21.CG2 neighbor-bump: 2.66917 Ang F16.N and P17.CD T0187 36 :NLDRVILVAVGK 1jeoA 39 :KAKKIFIFGVGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3733 Ang D4.CA and D4.CB T0187 52 :MAKAAYEVLGKKIRKGVVV 1jeoA 51 :SGYIGRCFAMRLMHLGFKS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.31527 Ang V18.CG1 and V20.CG2 other bump:2.76153 Ang K13.CB and V20.CG2 other bump:3.11299 Ang K13.C and V20.CG2 other bump:3.10453 Ang I14.N and V20.CG2 other bump:2.74598 Ang I14.CG1 and V20.CB other bump:3.04433 Ang K13.CB and V18.CG1 other bump:2.07163 Ang K13.O and V18.CG1 other bump:2.47841 Ang K13.C and V18.CG1 other bump:2.62943 Ang K12.CD and R15.NH1 T0187 83 :FEIYEAGHPV 1jeoA 70 :YFVGETTTPS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.13221 Ang I4.CD1 and H9.NE2 other bump:1.84589 Ang I4.CG1 and H9.NE2 other bump:2.41096 Ang I4.CD1 and H9.CE1 other bump:2.51091 Ang I4.CG1 and H9.CE1 other bump:2.91286 Ang F2.CB and H9.ND1 other bump:2.97421 Ang I4.CD1 and H9.ND1 other bump:2.58811 Ang I4.CG1 and H9.ND1 other bump:1.23008 Ang I4.CD1 and H9.CD2 other bump:2.84851 Ang I4.CB and H9.CD2 other bump:1.41252 Ang I4.CG1 and H9.CD2 other bump:2.50984 Ang I4.CD1 and H9.CG other bump:2.01879 Ang I4.CG1 and H9.CG neighbor-bump: 2.00962 Ang I4.O and Y5.CD1 neighbor-bump: 2.53974 Ang I4.O and Y5.CG self-bump: 1.39808 Ang Y5.CA and Y5.CB neighbor-bump: 3.11415 Ang I4.CG2 and Y5.CA neighbor-bump: 1.96535 Ang I4.CG2 and Y5.N self-bump: 2.381 Ang I4.CG2 and I4.C self-bump: 1.33889 Ang I4.CA and I4.CB T0187 101 :TRRVLELVDQLNENDTVLFLL 1jeoA 95 :TESVLTVAKKAKNINNNIIAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues self-bump: 1.38043 Ang N15.CA and N15.CB T0187 127 :SL 1jeoA 121 :NV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=318 Number of alignments=54 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 27 :AVKETLPKLN 1jeoA 16 :ILKKFYTNDE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.6152 Ang L7.N and P8.CD self-bump: 1.38832 Ang P8.N and P8.CD neighbor-bump: 2.83322 Ang L7.CB and P8.CD other bump:1.89151 Ang K4.O and P8.CD other bump:3.1047 Ang K4.C and P8.CD other bump:2.55185 Ang K4.O and P8.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.61707 Ang V24.CG1 and I29.CD1 other bump:2.96861 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTTRRV 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESVLTVAKKAK Fragment has 64 clashes (null) has 64 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:2.46399 Ang T36.O and V40.CG2 other bump:2.39337 Ang V6.CG2 and R39.NH2 other bump:1.74678 Ang E20.CG and R39.NH1 other bump:1.71785 Ang E20.CD and R39.NH1 other bump:1.63797 Ang E20.OE2 and R39.NH1 other bump:2.71116 Ang Y22.CE1 and R39.NH1 other bump:2.58628 Ang Y22.CZ and R39.NH1 other bump:2.6624 Ang Y22.OH and R39.NH1 other bump:2.72101 Ang E20.CG and R39.CZ other bump:2.35254 Ang E20.CD and R39.CZ other bump:1.4723 Ang E20.OE2 and R39.CZ other bump:2.91241 Ang Y22.OH and R39.CZ other bump:3.10277 Ang E20.CG and R39.NE other bump:2.39064 Ang E20.CD and R39.NE other bump:1.30964 Ang E20.OE2 and R39.NE other bump:2.43656 Ang E20.OE1 and R39.CD other bump:2.79879 Ang E20.CG and R39.CD other bump:1.80469 Ang E20.CD and R39.CD other bump:1.35712 Ang E20.OE2 and R39.CD other bump:2.55764 Ang Y22.OH and R39.CD other bump:2.59694 Ang I34.CG2 and R38.NH2 other bump:2.2116 Ang I34.CG2 and R38.NH1 other bump:2.61457 Ang I34.CG2 and R38.CZ other bump:2.99321 Ang Y22.CE2 and T36.OG1 other bump:3.31722 Ang V6.CG1 and K35.CD neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.49286 Ang V6.C and T7.CB neighbor-bump: 2.03206 Ang V6.O and T7.CB T0187 112 :NENDTVLFL 1jeoA 107 :NINNNIIAI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.86419 Ang N4.CG and T6.OG1 other bump:1.51892 Ang N4.OD1 and T6.OG1 T0187 126 :SSL 1jeoA 121 :NVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 129 :FELPLE 1jeoA 128 :LTIPLE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.92972 Ang F2.CE2 and L4.CD2 other bump:2.09182 Ang F2.CZ and L4.CD2 other bump:2.90818 Ang F2.CE2 and L4.CD1 other bump:2.38844 Ang F2.CE2 and L4.CG T0187 135 :GVSLEEIQKLTSALL 1jeoA 143 :GTTFEETALIFLDLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues Number of specific fragments= 8 total=326 Number of alignments=55 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 30 :ETL 1jeoA 19 :KFY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.61707 Ang V24.CG1 and I29.CD1 other bump:2.96861 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNEN 1jeoA 99 :LTVAKKAKNINNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 117 :VLFL 1jeoA 112 :IIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 126 :SSL 1jeoA 121 :NVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 129 :FELPLE 1jeoA 128 :LTIPLE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.92972 Ang F2.CE2 and L4.CD2 other bump:2.09182 Ang F2.CZ and L4.CD2 other bump:2.90818 Ang F2.CE2 and L4.CD1 other bump:2.38844 Ang F2.CE2 and L4.CG T0187 135 :GVS 1jeoA 139 :YLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 138 :LEEIQKLTSALL 1jeoA 146 :FEETALIFLDLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 10 total=336 Number of alignments=56 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 4 total=340 Number of alignments=57 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNEN 1jeoA 99 :LTVAKKAKNINNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 117 :VLFL 1jeoA 112 :IIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 5 total=345 Number of alignments=58 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 6 :SLKKLAIEIVKKSIEAVFPDRAVKETLPKLN 1jeoA 5 :EELDIVSNNILILKKFYTNDEWKNKLDSLID Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.51528 Ang K25.C and P29.CD other bump:1.40212 Ang K25.O and P29.CD other bump:3.1329 Ang E26.C and P29.CD other bump:2.88785 Ang K25.C and P29.CG other bump:1.73761 Ang K25.O and P29.CG other bump:2.25134 Ang E16.O and P20.CD other bump:2.97986 Ang E16.CA and P20.CD other bump:2.90558 Ang E16.C and P20.CD other bump:2.43589 Ang E16.O and P20.CG other bump:3.09295 Ang E16.CA and P20.CG other bump:3.11503 Ang E16.C and P20.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.61707 Ang V24.CG1 and I29.CD1 other bump:2.96861 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues T0187 124 :GGSSLFEL 1jeoA 121 :NVVEFADL Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.05244 Ang F7.CD2 and G10.CA other bump:2.70592 Ang F7.CE2 and G10.CA other bump:2.99608 Ang F7.CD2 and G10.N other bump:2.98938 Ang F7.CE2 and G10.N other bump:2.96082 Ang F7.CD2 and L9.C other bump:2.64807 Ang S4.CB and F7.CZ other bump:2.81584 Ang S4.CA and F7.CZ other bump:2.78645 Ang S4.OG and F7.CZ other bump:2.42553 Ang S4.O and F7.CE1 other bump:2.31367 Ang S4.C and F7.CE1 other bump:2.00487 Ang S4.CB and F7.CE1 other bump:2.82884 Ang S4.N and F7.CE1 other bump:1.52146 Ang S4.CA and F7.CE1 other bump:2.4614 Ang S4.OG and F7.CE1 other bump:2.44823 Ang S4.O and F7.CD1 other bump:2.50353 Ang S4.C and F7.CD1 other bump:3.00769 Ang S4.N and F7.CD1 other bump:2.05011 Ang S4.CA and F7.CD1 T0187 132 :PLEGVSLEEIQKLTSALL 1jeoA 136 :KSKYLPMGTTFEETALIF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.24483 Ang G1.O and I11.CD1 other bump:3.06499 Ang V6.CG1 and I11.CG1 other bump:2.4824 Ang V6.CA and E10.OE1 other bump:2.34152 Ang V6.CB and E10.OE1 other bump:1.91219 Ang V6.CG1 and E10.OE1 other bump:2.75412 Ang V6.CG2 and E10.OE1 other bump:2.62882 Ang V6.CG1 and E10.CD other bump:2.88396 Ang V6.CG1 and E10.CG self-bump: 1.2721 Ang L8.CA and L8.CB Number of specific fragments= 6 total=351 Number of alignments=59 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 16 :KKSIEAVFPDRAVKE 1jeoA 18 :KKFYTNDEWKNKLDS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.62247 Ang S4.OG and V14.CG2 neighbor-bump: 2.66917 Ang F9.N and P10.CD T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.61707 Ang V24.CG1 and I29.CD1 other bump:2.96861 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDE 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTES Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 101 :TRRVLELVDQLNENDTVL 1jeoA 98 :VLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 126 :SSL 1jeoA 121 :NVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 129 :FELP 1jeoA 128 :LTIP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.09182 Ang F2.CZ and L4.CD2 other bump:1.92972 Ang F2.CE2 and L4.CD2 other bump:2.90818 Ang F2.CE2 and L4.CD1 other bump:2.38844 Ang F2.CE2 and L4.CG T0187 133 :LEGVSLEEIQKLTSALL 1jeoA 137 :SKYLPMGTTFEETALIF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:3.06499 Ang V5.CG1 and I10.CG1 other bump:2.4824 Ang V5.CA and E9.OE1 other bump:2.34152 Ang V5.CB and E9.OE1 other bump:1.91219 Ang V5.CG1 and E9.OE1 other bump:2.75412 Ang V5.CG2 and E9.OE1 other bump:2.62882 Ang V5.CG1 and E9.CD other bump:2.88396 Ang V5.CG1 and E9.CG self-bump: 1.2721 Ang L7.CA and L7.CB Number of specific fragments= 8 total=359 Number of alignments=60 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 4 total=363 Number of alignments=61 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDE 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTES Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 101 :TRRVLELVDQLNENDTVL 1jeoA 98 :VLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues Number of specific fragments= 4 total=367 Number of alignments=62 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 16 :KKSIEAVFPDRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 19 :KFYTNDEWKNKLDSLIDRIIKAKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.61707 Ang V45.CG1 and I50.CD1 other bump:2.96861 Ang V45.CG1 and I50.CB other bump:2.17119 Ang K20.NZ and V45.CG2 other bump:3.30506 Ang K20.NZ and V45.CG1 other bump:1.5685 Ang V29.O and M38.CE other bump:1.70683 Ang V29.C and M38.CE other bump:2.2712 Ang V29.N and M38.CE other bump:2.33127 Ang V29.CA and M38.CE other bump:2.64379 Ang A30.N and M38.CE other bump:2.26171 Ang V29.O and M38.SD other bump:2.34494 Ang V29.C and M38.SD other bump:2.38015 Ang A30.CA and M38.SD other bump:1.55241 Ang A30.CB and M38.SD other bump:2.39274 Ang A30.N and M38.SD other bump:2.80785 Ang A30.CB and M38.CG other bump:2.51434 Ang A30.O and A35.CB other bump:2.97127 Ang A30.C and A35.CB other bump:3.15767 Ang A30.CB and A35.CA other bump:3.15001 Ang A30.CB and A35.N other bump:3.16139 Ang A30.CB and A34.C self-bump: 1.3733 Ang D24.CA and D24.CB other bump:2.51994 Ang P19.O and L23.CG other bump:2.68449 Ang E6.OE1 and F9.CE1 other bump:2.63271 Ang E6.OE1 and F9.CD1 T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues T0187 124 :GGSSLF 1jeoA 121 :NVVEFA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.19218 Ang S4.C and F7.CZ other bump:2.4754 Ang S4.CA and F7.CZ other bump:2.26786 Ang S4.CB and F7.CZ other bump:2.42152 Ang S4.OG and F7.CZ other bump:2.69574 Ang S4.C and F7.CE2 other bump:1.55353 Ang S4.CA and F7.CE2 other bump:2.01748 Ang S4.CB and F7.CE2 other bump:2.13163 Ang S4.OG and F7.CE2 other bump:2.59942 Ang S4.N and F7.CE2 other bump:2.89783 Ang S4.C and F7.CD2 other bump:2.14091 Ang S4.CA and F7.CD2 other bump:3.13937 Ang G3.C and F7.CD2 T0187 130 :ELPLEGVSLEEIQKLTSALL 1jeoA 138 :KYLPMGTTFEETALIFLDLV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues self-bump: 2.20114 Ang E6.CB and E6.C self-bump: 1.26189 Ang E6.CA and E6.CB neighbor-bump: 2.32641 Ang L5.CB and E6.N self-bump: 2.17483 Ang L5.CB and L5.C self-bump: 1.31605 Ang L5.CA and L5.CB neighbor-bump: 2.07207 Ang L3.C and P4.CD neighbor-bump: 2.6658 Ang L3.C and P4.CG self-bump: 1.35473 Ang P4.CA and P4.CB Number of specific fragments= 6 total=373 Number of alignments=63 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 19 :IEAVFPDRA 1jeoA 17 :LKKFYTNDE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6152 Ang F6.N and P7.CD self-bump: 1.38832 Ang P7.N and P7.CD neighbor-bump: 2.83322 Ang F6.CB and P7.CD other bump:1.89151 Ang E3.O and P7.CD other bump:3.1047 Ang E3.C and P7.CD other bump:2.55185 Ang E3.O and P7.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.61707 Ang V24.CG1 and I29.CD1 other bump:2.96861 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNENDTVL 1jeoA 99 :LTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 124 :GGSSLF 1jeoA 121 :NVVEFA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.19218 Ang S4.C and F7.CZ other bump:2.4754 Ang S4.CA and F7.CZ other bump:2.26786 Ang S4.CB and F7.CZ other bump:2.42152 Ang S4.OG and F7.CZ other bump:2.69574 Ang S4.C and F7.CE2 other bump:1.55353 Ang S4.CA and F7.CE2 other bump:2.01748 Ang S4.CB and F7.CE2 other bump:2.13163 Ang S4.OG and F7.CE2 other bump:2.59942 Ang S4.N and F7.CE2 other bump:2.89783 Ang S4.C and F7.CD2 other bump:2.14091 Ang S4.CA and F7.CD2 other bump:3.13937 Ang G3.C and F7.CD2 T0187 130 :ELP 1jeoA 139 :YLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 134 :EGVSLEEIQKLTSALL 1jeoA 142 :MGTTFEETALIFLDLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues self-bump: 2.20113 Ang E2.CB and E2.C self-bump: 1.26188 Ang E2.CA and E2.CB Number of specific fragments= 8 total=381 Number of alignments=64 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 16 :KKSIEAVFPDRAVKETL 1jeoA 24 :DEWKNKLDSLIDRIIKA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.51994 Ang V14.O and L18.CG other bump:2.71855 Ang V8.CG1 and R12.NH2 other bump:2.35882 Ang V8.CG1 and R12.NH1 other bump:2.69829 Ang V8.CG1 and R12.CZ other bump:2.51528 Ang E6.C and P10.CD other bump:1.40212 Ang E6.O and P10.CD other bump:3.1329 Ang A7.C and P10.CD other bump:2.88785 Ang E6.C and P10.CG other bump:1.73761 Ang E6.O and P10.CG other bump:2.37525 Ang I5.CG2 and F9.CE1 other bump:2.60856 Ang I5.O and F9.CD1 T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKIR 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGFK Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.37054 Ang V23.CG1 and I28.CD1 other bump:3.13785 Ang V23.CG1 and I28.CG1 other bump:2.91082 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 70 :VTKYG 1jeoA 69 :SYFVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 75 :HSEGPIDDFEIYEAGHPVPDENTIKTTRRVL 1jeoA 76 :TTPSYEKDDLLILISGSGRTESVLTVAKKAK Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.00088 Ang I12.CD1 and V31.CG2 other bump:2.44805 Ang K26.CG and R30.NH1 other bump:2.74569 Ang K26.NZ and R30.NH1 other bump:2.93387 Ang K26.CG and R30.CZ neighbor-bump: 2.57069 Ang P18.C and V19.CB self-bump: 1.37779 Ang P18.N and P18.CD neighbor-bump: 2.52342 Ang H17.CB and P18.CD other bump:2.27718 Ang E11.CD and Y13.OH other bump:1.20069 Ang E11.OE2 and Y13.OH other bump:2.22055 Ang E11.CD and Y13.CZ other bump:1.25526 Ang E11.OE2 and Y13.CZ other bump:2.554 Ang E11.OE2 and Y13.CE2 other bump:2.47114 Ang E11.CG and Y13.CE1 other bump:1.64352 Ang E11.CD and Y13.CE1 other bump:1.57974 Ang E11.OE2 and Y13.CE1 other bump:2.25359 Ang E11.OE1 and Y13.CE1 other bump:2.87809 Ang E11.CD and Y13.CD1 other bump:3.17282 Ang I7.CA and F10.CZ other bump:2.80933 Ang I7.N and F10.CZ other bump:2.10668 Ang I7.CB and F10.CZ other bump:1.53796 Ang I7.CG1 and F10.CZ other bump:1.74897 Ang I7.CD1 and F10.CZ other bump:2.47401 Ang I7.CG2 and F10.CE2 other bump:2.68327 Ang I7.C and F10.CE2 other bump:1.92202 Ang I7.CA and F10.CE2 other bump:1.95595 Ang I7.N and F10.CE2 other bump:0.978129 Ang I7.CB and F10.CE2 other bump:1.58668 Ang I7.CG1 and F10.CE2 other bump:2.51735 Ang I7.CD1 and F10.CE2 other bump:2.92536 Ang I7.CG1 and F10.CE1 other bump:2.73052 Ang I7.CD1 and F10.CE1 other bump:2.00577 Ang I7.O and F10.CD2 other bump:2.21211 Ang I7.C and F10.CD2 other bump:2.20299 Ang I7.CA and F10.CD2 other bump:2.02006 Ang I7.N and F10.CD2 other bump:1.94687 Ang I7.CB and F10.CD2 other bump:2.98564 Ang I7.CG1 and F10.CD2 other bump:2.90579 Ang I7.N and F10.CG neighbor-bump: 2.73958 Ang I7.CG2 and D8.N T0187 109 :DQ 1jeoA 107 :NI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 113 :ENDTVLF 1jeoA 109 :NNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 125 :GSSLFEL 1jeoA 121 :NVVEFAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 132 :PLEGVS 1jeoA 136 :KSKYLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 138 :LEEIQKLTSALL 1jeoA 146 :FEETALIFLDLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 10 total=391 Number of alignments=65 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 5 :ESLKKLAIEIV 1jeoA 5 :EELDIVSNNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 16 :KKSIEAV 1jeoA 27 :KNKLDSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 24 :PDRAVK 1jeoA 34 :IDRIIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIR 1jeoA 40 :AKKIFIFGVGRSGYIGRCFAMRLMHLGFK Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.37054 Ang V24.CG1 and I29.CD1 other bump:3.13785 Ang V24.CG1 and I29.CG1 other bump:2.91082 Ang V24.CG1 and I29.CB other bump:1.5685 Ang V8.O and M17.CE other bump:2.2712 Ang V8.N and M17.CE other bump:2.33127 Ang V8.CA and M17.CE other bump:1.70683 Ang V8.C and M17.CE other bump:2.64379 Ang A9.N and M17.CE other bump:2.26171 Ang V8.O and M17.SD other bump:2.34494 Ang V8.C and M17.SD other bump:2.38015 Ang A9.CA and M17.SD other bump:1.55241 Ang A9.CB and M17.SD other bump:2.39274 Ang A9.N and M17.SD other bump:2.80785 Ang A9.CB and M17.CG other bump:2.51434 Ang A9.O and A14.CB other bump:2.97127 Ang A9.C and A14.CB other bump:3.15767 Ang A9.CB and A14.CA other bump:3.15001 Ang A9.CB and A14.N other bump:3.16139 Ang A9.CB and A13.C self-bump: 1.3733 Ang D3.CA and D3.CB T0187 70 :VTKYG 1jeoA 69 :SYFVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 75 :HSEGPIDDFEIYEAGHPVPDENTIKTTRRVL 1jeoA 76 :TTPSYEKDDLLILISGSGRTESVLTVAKKAK Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.00088 Ang I12.CD1 and V31.CG2 other bump:2.44805 Ang K26.CG and R30.NH1 other bump:2.74569 Ang K26.NZ and R30.NH1 other bump:2.93387 Ang K26.CG and R30.CZ neighbor-bump: 2.57069 Ang P18.C and V19.CB self-bump: 1.37779 Ang P18.N and P18.CD neighbor-bump: 2.52342 Ang H17.CB and P18.CD other bump:2.27718 Ang E11.CD and Y13.OH other bump:1.20069 Ang E11.OE2 and Y13.OH other bump:2.22055 Ang E11.CD and Y13.CZ other bump:1.25526 Ang E11.OE2 and Y13.CZ other bump:2.554 Ang E11.OE2 and Y13.CE2 other bump:2.47114 Ang E11.CG and Y13.CE1 other bump:1.64352 Ang E11.CD and Y13.CE1 other bump:1.57974 Ang E11.OE2 and Y13.CE1 other bump:2.25359 Ang E11.OE1 and Y13.CE1 other bump:2.87809 Ang E11.CD and Y13.CD1 other bump:3.17282 Ang I7.CA and F10.CZ other bump:2.80933 Ang I7.N and F10.CZ other bump:2.10668 Ang I7.CB and F10.CZ other bump:1.53796 Ang I7.CG1 and F10.CZ other bump:1.74897 Ang I7.CD1 and F10.CZ other bump:2.47401 Ang I7.CG2 and F10.CE2 other bump:2.68327 Ang I7.C and F10.CE2 other bump:1.92202 Ang I7.CA and F10.CE2 other bump:1.95595 Ang I7.N and F10.CE2 other bump:0.978129 Ang I7.CB and F10.CE2 other bump:1.58668 Ang I7.CG1 and F10.CE2 other bump:2.51735 Ang I7.CD1 and F10.CE2 other bump:2.92536 Ang I7.CG1 and F10.CE1 other bump:2.73052 Ang I7.CD1 and F10.CE1 other bump:2.00577 Ang I7.O and F10.CD2 other bump:2.21211 Ang I7.C and F10.CD2 other bump:2.20299 Ang I7.CA and F10.CD2 other bump:2.02006 Ang I7.N and F10.CD2 other bump:1.94687 Ang I7.CB and F10.CD2 other bump:2.98564 Ang I7.CG1 and F10.CD2 other bump:2.90579 Ang I7.N and F10.CG neighbor-bump: 2.73958 Ang I7.CG2 and D8.N T0187 109 :DQ 1jeoA 107 :NI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 112 :N 1jeoA 109 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 114 :NDTVLF 1jeoA 110 :NNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 125 :GSSLFEL 1jeoA 121 :NVVEFAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 132 :PLEGVS 1jeoA 136 :KSKYLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 138 :LEEIQKLTSALL 1jeoA 146 :FEETALIFLDLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 12 total=403 Number of alignments=66 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 4 total=407 Number of alignments=67 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNENDTVL 1jeoA 99 :LTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 124 :G 1jeoA 121 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 5 total=412 Number of alignments=68 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVP 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRT Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.58142 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 99 :KTTRRVLELVDQLNENDTVL 1jeoA 96 :ESVLTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues Number of specific fragments= 4 total=416 Number of alignments=69 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 4 :PESLKKLAIEIVKKSIEA 1jeoA 23 :NDEWKNKLDSLIDRIIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKI 1jeoA 41 :KKIFIFGVGRSGYIGRCFAMRLMHLGF Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.61707 Ang V23.CG1 and I28.CD1 other bump:2.96861 Ang V23.CG1 and I28.CB other bump:1.5685 Ang V7.O and M16.CE other bump:2.2712 Ang V7.N and M16.CE other bump:2.33127 Ang V7.CA and M16.CE other bump:1.70683 Ang V7.C and M16.CE other bump:2.64379 Ang A8.N and M16.CE other bump:2.26171 Ang V7.O and M16.SD other bump:2.34494 Ang V7.C and M16.SD other bump:2.38015 Ang A8.CA and M16.SD other bump:1.55241 Ang A8.CB and M16.SD other bump:2.39274 Ang A8.N and M16.SD other bump:2.80785 Ang A8.CB and M16.CG other bump:2.51434 Ang A8.O and A13.CB other bump:2.97127 Ang A8.C and A13.CB other bump:3.15767 Ang A8.CB and A13.CA other bump:3.15001 Ang A8.CB and A13.N other bump:3.16139 Ang A8.CB and A12.C self-bump: 1.3733 Ang D2.CA and D2.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDEN 1jeoA 68 :KSYFVGETTTPSYEKDDLLILISGSGRTESV Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.58143 Ang V28.N and P29.CD neighbor-bump: 1.761 Ang H26.CA and P27.CD neighbor-bump: 1.75207 Ang H26.O and P27.CD neighbor-bump: 0.918552 Ang H26.C and P27.CD self-bump: 1.39748 Ang P27.N and P27.CD other bump:2.68392 Ang G25.C and P27.CD neighbor-bump: 2.2949 Ang H26.N and P27.CD neighbor-bump: 2.88427 Ang H26.CA and P27.CG neighbor-bump: 1.17778 Ang H26.O and P27.CG neighbor-bump: 1.63015 Ang H26.C and P27.CG self-bump: 2.20228 Ang P27.N and P27.CG neighbor-bump: 2.53478 Ang H26.C and P27.CB other bump:1.90099 Ang E20.CD and Y22.OH other bump:1.8293 Ang E20.OE1 and Y22.OH other bump:1.75021 Ang E20.OE2 and Y22.OH other bump:3.05375 Ang E20.CG and Y22.CZ other bump:2.09745 Ang E20.CD and Y22.CZ other bump:1.88042 Ang E20.OE1 and Y22.CZ other bump:2.5222 Ang E20.OE2 and Y22.CZ other bump:2.35846 Ang E20.CG and Y22.CE1 other bump:1.95286 Ang E20.CD and Y22.CE1 other bump:1.58026 Ang E20.OE1 and Y22.CE1 other bump:2.46047 Ang F19.CE2 and I21.CD1 other bump:3.0641 Ang F19.CD2 and I21.CG1 other bump:2.11329 Ang F19.CE2 and I21.CG1 other bump:2.92889 Ang F19.CZ and I21.CG1 other bump:2.86221 Ang V4.CB and H11.CE1 other bump:2.6486 Ang V4.CG1 and H11.CE1 other bump:2.1959 Ang V4.CG2 and H11.CE1 other bump:3.1697 Ang V5.C and H11.CE1 other bump:2.84471 Ang V4.CB and H11.ND1 other bump:3.28341 Ang V4.CG1 and H11.ND1 other bump:1.56568 Ang V4.CG2 and H11.ND1 other bump:2.93153 Ang V5.C and H11.ND1 other bump:2.43826 Ang V4.CG2 and H11.CG neighbor-bump: 2.08293 Ang V6.O and T7.OG1 neighbor-bump: 2.56156 Ang V6.C and T7.OG1 neighbor-bump: 2.03206 Ang V6.O and T7.CB neighbor-bump: 2.49286 Ang V6.C and T7.CB T0187 102 :RRVLELVDQLNENDTVL 1jeoA 99 :LTVAKKAKNINNNIIAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 124 :G 1jeoA 121 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 5 total=421 Number of alignments=70 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-local-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-local-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 113 :ENDTVLFLLSGGG 1jeoA 81 :EKDDLLILISGSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 1 total=422 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-local-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-local-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 17 :K 1jeoA 36 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKK 1jeoA 37 :IIKAKKIFIFGVGRSGYIGRCFAMRLMHLG Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.3885 Ang K30.O and K31.CG neighbor-bump: 2.75292 Ang K30.C and K31.CG other bump:2.17117 Ang K2.NZ and V27.CG2 other bump:3.30504 Ang K2.NZ and V27.CG1 other bump:1.5685 Ang V11.O and M20.CE other bump:2.2712 Ang V11.N and M20.CE other bump:2.33127 Ang V11.CA and M20.CE other bump:1.70683 Ang V11.C and M20.CE other bump:2.64379 Ang A12.N and M20.CE other bump:2.26171 Ang V11.O and M20.SD other bump:2.34494 Ang V11.C and M20.SD other bump:1.55241 Ang A12.CB and M20.SD other bump:2.39274 Ang A12.N and M20.SD other bump:2.38015 Ang A12.CA and M20.SD other bump:2.80785 Ang A12.CB and M20.CG other bump:2.51434 Ang A12.O and A17.CB other bump:2.97127 Ang A12.C and A17.CB other bump:3.15767 Ang A12.CB and A17.CA other bump:3.15001 Ang A12.CB and A17.N other bump:3.16139 Ang A12.CB and A16.C self-bump: 1.3733 Ang D6.CA and D6.CB other bump:2.51993 Ang G1.O and L5.CG T0187 80 :IDDFEIYEAG 1jeoA 67 :FKSYFVGETT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.00962 Ang I7.O and Y8.CD1 neighbor-bump: 2.53974 Ang I7.O and Y8.CG self-bump: 1.39808 Ang Y8.CA and Y8.CB neighbor-bump: 3.11415 Ang I7.CG2 and Y8.CA neighbor-bump: 1.96535 Ang I7.CG2 and Y8.N self-bump: 2.381 Ang I7.CG2 and I7.C self-bump: 1.33889 Ang I7.CA and I7.CB other bump:3.05763 Ang I2.CG2 and D4.CG T0187 109 :DQLNENDTVLFLLSGGG 1jeoA 77 :TPSYEKDDLLILISGSG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.14506 Ang N5.ND2 and T9.OG1 Number of specific fragments= 4 total=426 Number of alignments=71 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-simpleSW-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 113 :ENDTVLFLLSGGG 1jeoA 81 :EKDDLLILISGSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 1 total=427 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-simpleSW-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 112 :NENDTVLFLLSGGGSS 1jeoA 80 :YEKDDLLILISGSGRT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.14507 Ang N2.ND2 and T6.OG1 Number of specific fragments= 1 total=428 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-vit-adpstyle1.pw.a2m.gz # 1jeoA read from T0187-1jeoA-vit-adpstyle1.pw.a2m.gz # found chain 1jeoA in template set T0187 113 :ENDTVLFLLSGGG 1jeoA 81 :EKDDLLILISGSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 1 total=429 # Reading fragments from alignment file # T0187 read from T0187-1jeoA-vit-adpstyle5.pw.a2m.gz # 1jeoA read from T0187-1jeoA-vit-adpstyle5.pw.a2m.gz # found chain 1jeoA in template set T0187 17 :K 1jeoA 36 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKK 1jeoA 37 :IIKAKKIFIFGVGRSGYIGRCFAMRLMHLG Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.3885 Ang K30.O and K31.CG neighbor-bump: 2.75292 Ang K30.C and K31.CG other bump:2.17117 Ang K2.NZ and V27.CG2 other bump:3.30504 Ang K2.NZ and V27.CG1 other bump:1.5685 Ang V11.O and M20.CE other bump:2.2712 Ang V11.N and M20.CE other bump:2.33127 Ang V11.CA and M20.CE other bump:1.70683 Ang V11.C and M20.CE other bump:2.64379 Ang A12.N and M20.CE other bump:2.26171 Ang V11.O and M20.SD other bump:2.34494 Ang V11.C and M20.SD other bump:1.55241 Ang A12.CB and M20.SD other bump:2.39274 Ang A12.N and M20.SD other bump:2.38015 Ang A12.CA and M20.SD other bump:2.80785 Ang A12.CB and M20.CG other bump:2.51434 Ang A12.O and A17.CB other bump:2.97127 Ang A12.C and A17.CB other bump:3.15767 Ang A12.CB and A17.CA other bump:3.15001 Ang A12.CB and A17.N other bump:3.16139 Ang A12.CB and A16.C self-bump: 1.3733 Ang D6.CA and D6.CB other bump:2.51993 Ang G1.O and L5.CG T0187 80 :IDDFEIYEAG 1jeoA 67 :FKSYFVGETT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.00962 Ang I7.O and Y8.CD1 neighbor-bump: 2.53974 Ang I7.O and Y8.CG self-bump: 1.39808 Ang Y8.CA and Y8.CB neighbor-bump: 3.11415 Ang I7.CG2 and Y8.CA neighbor-bump: 1.96535 Ang I7.CG2 and Y8.N self-bump: 2.381 Ang I7.CG2 and I7.C self-bump: 1.33889 Ang I7.CA and I7.CB other bump:3.05763 Ang I2.CG2 and D4.CG T0187 109 :DQLNENDTVLFLLSGGG 1jeoA 77 :TPSYEKDDLLILISGSG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.14506 Ang N5.ND2 and T9.OG1 Number of specific fragments= 4 total=433 Number of alignments=72 # Prefix for input files set to 1bouB/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1bouB-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1bouB read from 1bouB-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 1 :MFDPESLKKLAIEIVKKSIEAVFPDRAVKETLPK 1bouB 2 :ARVTTGITSSHIPALGAAIQTGTSDNDYWGPVFK Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:1.75251 Ang K29.O and P33.CD other bump:2.94362 Ang K29.C and P33.CD other bump:2.76701 Ang R26.CD and K29.NZ other bump:2.22711 Ang R26.CZ and K29.NZ other bump:2.14365 Ang R26.NH1 and K29.NZ other bump:2.54847 Ang R26.NE and K29.NZ other bump:2.79951 Ang F23.CB and K29.NZ other bump:2.30253 Ang S18.OG and K29.CE other bump:2.40586 Ang S18.CB and K29.CE other bump:2.83198 Ang F23.C and K29.CE other bump:1.61547 Ang S18.OG and K29.CD other bump:2.23499 Ang S18.CB and K29.CD other bump:2.95137 Ang R26.NE and K29.CG neighbor-bump: 2.04865 Ang F23.N and P24.CD other bump:2.33341 Ang S18.O and P24.CD other bump:3.16868 Ang S18.C and P24.CD self-bump: 1.3562 Ang P24.N and P24.CD other bump:3.2654 Ang V22.CA and P24.CD other bump:2.67116 Ang V22.C and P24.CD other bump:2.48186 Ang S18.O and P24.CG other bump:2.84084 Ang S18.C and P24.CG other bump:3.04657 Ang I19.N and P24.CG self-bump: 2.21955 Ang P24.N and P24.CG other bump:2.93305 Ang I19.CA and P24.CG neighbor-bump: 2.65884 Ang A21.C and V22.CB T0187 35 :LNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYE 1bouB 48 :GNMPDVVILVYNDHASAFDMNIIPTFAIGCAETFKPADEGWGPRPVPDVKGHP Fragment has 122 clashes (null) has 122 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 55 residues other bump:2.43339 Ang I31.C and E54.OE2 other bump:2.45061 Ang R32.N and E54.OE2 other bump:2.17002 Ang R32.CA and E54.OE2 other bump:1.63286 Ang R32.O and E54.OE2 other bump:1.55078 Ang R32.C and E54.OE2 other bump:2.38109 Ang K33.N and E54.OE2 other bump:2.74937 Ang I52.CG1 and E54.OE2 other bump:1.43167 Ang I52.CD1 and E54.OE2 other bump:2.13113 Ang I31.O and E54.OE2 other bump:1.9504 Ang I31.C and E54.OE1 other bump:0.74652 Ang I31.O and E54.OE1 other bump:2.48923 Ang I31.C and E54.CD other bump:2.97241 Ang R32.CA and E54.CD other bump:2.70704 Ang R32.C and E54.CD other bump:2.59364 Ang I52.CD1 and E54.CD other bump:1.59953 Ang I31.O and E54.CD other bump:2.58732 Ang R32.CA and I52.CD1 other bump:0.580423 Ang R32.O and I52.CD1 other bump:1.22045 Ang R32.C and I52.CD1 other bump:1.97106 Ang K33.N and I52.CD1 other bump:2.39188 Ang K33.CA and I52.CD1 other bump:1.65132 Ang R32.O and I52.CG1 other bump:2.6419 Ang R32.C and I52.CG1 other bump:3.07539 Ang K33.N and I52.CG1 other bump:2.78252 Ang K33.CA and I52.CG1 other bump:2.92955 Ang K33.C and I52.CG1 other bump:2.36784 Ang R32.O and I52.CB other bump:2.8243 Ang V35.CG1 and F50.CB neighbor-bump: 2.64213 Ang H42.C and S43.OG neighbor-bump: 1.78612 Ang H42.O and S43.OG neighbor-bump: 2.65917 Ang H42.C and S43.CB neighbor-bump: 2.27793 Ang H42.O and S43.CB other bump:2.03248 Ang W17.CD2 and Y40.OH other bump:3.07417 Ang W17.CH2 and Y40.OH other bump:0.802458 Ang W17.CE3 and Y40.OH other bump:1.80892 Ang W17.CZ3 and Y40.OH other bump:2.71509 Ang W17.CZ2 and Y40.CZ other bump:2.48292 Ang W17.CG and Y40.CZ other bump:1.31591 Ang W17.CD2 and Y40.CZ other bump:2.23564 Ang W17.CE2 and Y40.CZ other bump:2.46845 Ang W17.CH2 and Y40.CZ other bump:0.79221 Ang W17.CE3 and Y40.CZ other bump:1.65971 Ang W17.CZ3 and Y40.CZ other bump:2.40239 Ang T38.OG1 and Y40.CZ other bump:2.06182 Ang W17.CD1 and Y40.CE2 other bump:2.44919 Ang W17.CZ2 and Y40.CE2 other bump:2.67531 Ang W17.CB and Y40.CE2 other bump:1.41351 Ang W17.CG and Y40.CE2 other bump:0.537511 Ang W17.CD2 and Y40.CE2 other bump:1.32556 Ang W17.CE2 and Y40.CE2 other bump:2.03722 Ang W17.NE1 and Y40.CE2 other bump:2.90165 Ang W17.CH2 and Y40.CE2 other bump:1.72226 Ang W17.CE3 and Y40.CE2 other bump:2.6364 Ang W17.CZ3 and Y40.CE2 other bump:2.96451 Ang W17.CZ2 and Y40.CE1 other bump:2.54263 Ang W17.CD2 and Y40.CE1 other bump:2.96625 Ang W17.CE2 and Y40.CE1 other bump:2.4644 Ang W17.CH2 and Y40.CE1 other bump:1.96278 Ang W17.CE3 and Y40.CE1 other bump:1.89963 Ang W17.CZ3 and Y40.CE1 other bump:1.99251 Ang T38.OG1 and Y40.CE1 other bump:2.03096 Ang W17.CD1 and Y40.CD2 other bump:2.40645 Ang W17.CZ2 and Y40.CD2 other bump:2.21514 Ang W17.CG and Y40.CD2 other bump:1.87961 Ang W17.CD2 and Y40.CD2 other bump:1.4357 Ang W17.CE2 and Y40.CD2 other bump:1.56422 Ang W17.NE1 and Y40.CD2 other bump:3.2698 Ang W17.CH2 and Y40.CD2 other bump:2.94992 Ang W17.CE3 and Y40.CD2 other bump:2.88566 Ang W17.CZ2 and Y40.CD1 other bump:2.98272 Ang W17.CE2 and Y40.CD1 other bump:2.85284 Ang W17.CH2 and Y40.CD1 other bump:3.08576 Ang W17.CE3 and Y40.CD1 other bump:2.95322 Ang W17.CZ3 and Y40.CD1 other bump:2.62657 Ang W17.CZ2 and Y40.CG other bump:2.37921 Ang W17.CE2 and Y40.CG other bump:2.79087 Ang W17.NE1 and Y40.CG other bump:3.23546 Ang W17.CH2 and Y40.CG other bump:2.9321 Ang W17.CE3 and T38.OG1 other bump:2.5491 Ang K30.NZ and V35.CG2 other bump:2.84639 Ang R18.NH2 and V35.CG2 other bump:2.08001 Ang K30.NZ and V35.CG1 other bump:1.37119 Ang K30.NZ and V35.CB other bump:2.80361 Ang K30.CE and V35.CB other bump:2.31367 Ang K30.NZ and V35.CA other bump:2.84287 Ang A20.CA and Y24.OH other bump:1.83076 Ang A20.O and Y24.OH other bump:1.75102 Ang A20.C and Y24.OH other bump:1.98811 Ang K21.N and Y24.OH other bump:2.33824 Ang K21.CA and Y24.OH other bump:1.52027 Ang A20.O and Y24.CZ other bump:2.31261 Ang A20.C and Y24.CZ other bump:2.81966 Ang K21.N and Y24.CZ other bump:2.73047 Ang K21.CA and Y24.CZ other bump:2.42987 Ang A20.O and Y24.CE2 other bump:1.8519 Ang A20.O and Y24.CE1 other bump:2.71647 Ang A20.C and Y24.CE1 other bump:2.41433 Ang K21.CA and Y24.CE1 other bump:2.63804 Ang K21.C and Y24.CE1 other bump:2.46005 Ang M19.CE and Y24.CA other bump:2.90473 Ang M19.CE and A23.C other bump:2.19765 Ang M19.CE and A23.O other bump:3.00897 Ang K14.CE and M19.C other bump:2.17013 Ang K14.NZ and M19.C other bump:3.08969 Ang K14.CD and M19.CB other bump:2.41673 Ang K14.NZ and M19.CB other bump:3.23292 Ang K14.CD and M19.CA other bump:2.5616 Ang K14.CE and M19.CA other bump:1.3098 Ang K14.NZ and M19.CA other bump:2.3774 Ang K14.CD and M19.N other bump:1.48091 Ang K14.CE and M19.N other bump:0.298144 Ang K14.NZ and M19.N other bump:3.18523 Ang K14.CD and R18.C other bump:2.39986 Ang K14.CE and R18.C other bump:1.5351 Ang K14.NZ and R18.C other bump:2.69239 Ang K14.CE and R18.CA other bump:2.64205 Ang K14.NZ and R18.CA other bump:2.97141 Ang K14.CD and R18.N other bump:2.16818 Ang K14.CE and R18.N other bump:2.79504 Ang K14.CE and W17.C self-bump: 1.39182 Ang W17.CA and W17.CB self-bump: 1.38719 Ang R6.CA and R6.CB T0187 88 :AGHPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 156 :TYPPPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 56 residues other bump:1.8778 Ang L52.CD2 and I55.CD1 other bump:2.47125 Ang L52.CD2 and I55.CG1 other bump:3.06226 Ang L47.CD1 and V50.CG2 other bump:2.43658 Ang L47.O and V50.CG2 neighbor-bump: 2.03547 Ang L45.CB and P46.CD neighbor-bump: 2.38609 Ang L45.CB and P46.N self-bump: 2.1954 Ang L45.CB and L45.C self-bump: 1.34504 Ang L45.CA and L45.CB other bump:2.26899 Ang L42.CD1 and E44.O neighbor-bump: 2.78778 Ang G38.CA and G39.CA other bump:2.48561 Ang V6.CG1 and N10.OD1 other bump:2.98407 Ang V6.CG1 and N10.CG other bump:2.83965 Ang V6.CG1 and N10.CB neighbor-bump: 2.84776 Ang V6.CG1 and P7.CD T0187 142 :QKLTSALLK 1bouB 291 :RKVMSGHSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.86473 Ang T5.CG2 and K10.CD Number of specific fragments= 4 total=437 Number of alignments=73 # Reading fragments from alignment file # T0187 read from 1bouB-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1bouB read from 1bouB-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 1 :MFDPESLKKLAIEIVKKSIEAVFPDRAVKET 1bouB 2 :ARVTTGITSSHIPALGAAIQTGTSDNDYWGP Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.76701 Ang R26.CD and K29.NZ other bump:2.22711 Ang R26.CZ and K29.NZ other bump:2.14365 Ang R26.NH1 and K29.NZ other bump:2.54847 Ang R26.NE and K29.NZ other bump:2.79951 Ang F23.CB and K29.NZ other bump:2.30253 Ang S18.OG and K29.CE other bump:2.40586 Ang S18.CB and K29.CE other bump:2.83198 Ang F23.C and K29.CE other bump:1.61547 Ang S18.OG and K29.CD other bump:2.23499 Ang S18.CB and K29.CD other bump:2.95137 Ang R26.NE and K29.CG neighbor-bump: 2.04865 Ang F23.N and P24.CD other bump:2.33341 Ang S18.O and P24.CD other bump:3.16868 Ang S18.C and P24.CD self-bump: 1.3562 Ang P24.N and P24.CD other bump:3.2654 Ang V22.CA and P24.CD other bump:2.67116 Ang V22.C and P24.CD other bump:2.48186 Ang S18.O and P24.CG other bump:2.84084 Ang S18.C and P24.CG other bump:3.04657 Ang I19.N and P24.CG self-bump: 2.21955 Ang P24.N and P24.CG other bump:2.93305 Ang I19.CA and P24.CG neighbor-bump: 2.65884 Ang A21.C and V22.CB T0187 32 :LPKLNLDRVILVAVGKAA 1bouB 46 :QPGNMPDVVILVYNDHAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 50 :WRM 1bouB 65 :FDM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.44183 Ang R3.CB and M4.N self-bump: 2.19151 Ang R3.CB and R3.C T0187 53 :AKAAYEVLGK 1bouB 81 :FKPADEGWGP Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.3543 Ang Y6.CD1 and K11.N other bump:1.95082 Ang Y6.CD1 and G10.C other bump:2.37395 Ang Y6.CE1 and G10.C other bump:3.12375 Ang Y6.CG and G10.C other bump:2.82594 Ang Y6.CD1 and G10.O other bump:1.66752 Ang Y6.CD1 and G10.CA other bump:1.08612 Ang Y6.CE1 and G10.CA other bump:2.34615 Ang Y6.CZ and G10.CA other bump:2.97339 Ang Y6.CG and G10.CA other bump:2.39153 Ang Y6.CD1 and G10.N other bump:1.64478 Ang Y6.CE1 and G10.N other bump:3.02851 Ang Y6.CE2 and G10.N other bump:2.0881 Ang Y6.CZ and G10.N other bump:2.78664 Ang Y6.CE1 and L9.C other bump:3.02851 Ang Y6.CZ and L9.C neighbor-bump: 1.79813 Ang E7.O and V8.CG2 neighbor-bump: 2.60324 Ang E7.C and V8.CG2 neighbor-bump: 2.05132 Ang E7.O and V8.CB neighbor-bump: 2.53301 Ang E7.C and V8.CB T0187 63 :KIRKGVVVTKYGHS 1bouB 105 :HIAQSLILDEFDMT Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.73453 Ang V7.CG2 and H14.NE2 other bump:2.8408 Ang V7.CA and H14.NE2 other bump:1.60565 Ang V7.CB and H14.NE2 other bump:0.995906 Ang V7.CG1 and H14.NE2 other bump:2.72303 Ang V7.CG2 and H14.CE1 other bump:2.29009 Ang V7.CB and H14.CE1 other bump:1.84549 Ang V7.CG1 and H14.CE1 other bump:2.95276 Ang V7.CG1 and H14.ND1 other bump:2.66462 Ang V7.CB and H14.CD2 other bump:2.21664 Ang V7.CG1 and H14.CD2 other bump:3.12523 Ang V7.CG1 and H14.CG other bump:2.95291 Ang V7.CG1 and Y12.CB other bump:2.69273 Ang V7.CA and T10.OG1 other bump:2.80139 Ang V7.C and T10.OG1 T0187 77 :EGPIDDFEIYEAGHPVPDEN 1bouB 144 :PCKVIPFPVNVVTYPPPSGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.67176 Ang E12.OE2 and P18.CD neighbor-bump: 2.73157 Ang V17.CG1 and P18.CD other bump:3.0314 Ang E12.CA and V17.CG2 other bump:2.39382 Ang E12.OE1 and V17.CG2 other bump:3.02887 Ang E12.CD and V17.CG2 other bump:1.99688 Ang E12.OE1 and V17.CG1 other bump:1.96227 Ang E12.CD and V17.CG1 other bump:1.52895 Ang E12.OE2 and V17.CG1 other bump:2.59179 Ang E12.OE1 and V17.CB other bump:3.02188 Ang E12.CD and V17.CB other bump:2.68001 Ang Y11.CE2 and G14.C other bump:2.13939 Ang Y11.CE2 and G14.O other bump:2.58152 Ang Y11.CE2 and G14.CA other bump:2.75201 Ang Y11.CZ and G14.CA other bump:2.27984 Ang Y11.OH and G14.CA other bump:2.32325 Ang Y11.CE2 and G14.N other bump:2.36906 Ang Y11.CZ and G14.N other bump:2.34598 Ang Y11.OH and G14.N T0187 97 :TIKTTRRVLELVDQLNENDTVLFLLSGGGSSLF 1bouB 165 :CFALGDSIRAAVESFPEDLNVHVWGTGGMSHQL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues neighbor-bump: 2.78778 Ang G29.CA and G30.CA T0187 130 :ELPLEGVSL 1bouB 265 :HIPASNTAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33811 Ang L5.CD1 and L10.CD1 other bump:2.80485 Ang L5.CD1 and L10.CB other bump:2.36519 Ang L3.CD2 and S9.OG other bump:2.96427 Ang L3.CD2 and S9.CB other bump:3.15715 Ang L3.CD2 and S9.CA self-bump: 1.27218 Ang E6.CA and E6.CB T0187 139 :EEIQKLTSALLK 1bouB 288 :LEPRKVMSGHSL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.86473 Ang T8.CG2 and K13.CD other bump:2.54838 Ang I4.CG2 and K6.O Number of specific fragments= 9 total=446 Number of alignments=74 # Reading fragments from alignment file # T0187 read from 1bouB-T0187-local-adpstyle1.pw.a2m.gz # 1bouB read from 1bouB-T0187-local-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 102 :RRVLELVDQLNENDTVLFLLSGGGS 1bouB 170 :DSIRAAVESFPEDLNVHVWGTGGMS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.78778 Ang G24.CA and G25.CA Number of specific fragments= 1 total=447 Number of alignments=75 # Reading fragments from alignment file # T0187 read from 1bouB-T0187-local-adpstyle5.pw.a2m.gz # 1bouB read from 1bouB-T0187-local-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 98 :IKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEG 1bouB 166 :FALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues neighbor-bump: 2.03547 Ang L35.CB and P36.CD neighbor-bump: 2.38609 Ang L35.CB and P36.N self-bump: 2.1954 Ang L35.CB and L35.C self-bump: 1.34504 Ang L35.CA and L35.CB other bump:2.26899 Ang L32.CD1 and E34.O neighbor-bump: 2.78778 Ang G28.CA and G29.CA Number of specific fragments= 1 total=448 Number of alignments=76 # Reading fragments from alignment file # T0187 read from 1bouB-T0187-vit-adpstyle1.pw.a2m.gz # 1bouB read from 1bouB-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 102 :RRVLELVDQLNENDTVLFLLSGGGS 1bouB 170 :DSIRAAVESFPEDLNVHVWGTGGMS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.78778 Ang G24.CA and G25.CA Number of specific fragments= 1 total=449 Number of alignments=77 # Reading fragments from alignment file # T0187 read from 1bouB-T0187-vit-adpstyle5.pw.a2m.gz # 1bouB read from 1bouB-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 98 :IKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEG 1bouB 166 :FALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues neighbor-bump: 2.03547 Ang L35.CB and P36.CD neighbor-bump: 2.38609 Ang L35.CB and P36.N self-bump: 2.1954 Ang L35.CB and L35.C self-bump: 1.34504 Ang L35.CA and L35.CB other bump:2.26899 Ang L32.CD1 and E34.O neighbor-bump: 2.78778 Ang G28.CA and G29.CA Number of specific fragments= 1 total=450 Number of alignments=78 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 14 :IVKKSIEAVFPDRAVKETLPKLN 1bouB 29 :YWGPVFKGYQPIRDWIKQPGNMP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.50669 Ang T19.OG1 and K22.CD neighbor-bump: 1.6538 Ang L20.CA and P21.CD neighbor-bump: 1.85747 Ang L20.CB and P21.CD neighbor-bump: 1.79464 Ang L20.O and P21.CD neighbor-bump: 0.879339 Ang L20.C and P21.CD self-bump: 1.34894 Ang P21.N and P21.CD neighbor-bump: 3.01599 Ang L20.CA and P21.CG neighbor-bump: 1.86224 Ang L20.O and P21.CG neighbor-bump: 1.92255 Ang L20.C and P21.CG self-bump: 2.20163 Ang P21.N and P21.CG neighbor-bump: 1.94767 Ang L20.O and P21.CB neighbor-bump: 2.32185 Ang L20.C and P21.CB self-bump: 1.29401 Ang L20.CA and L20.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bouB 114 :EFDMTIMNQMDVDHGCTVPLSMIFGEPEEWPCKVIPFPVNVV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.8377 Ang Y38.CD2 and H40.NE2 other bump:2.80768 Ang Y38.CD2 and H40.CE1 other bump:2.67861 Ang Y38.CE2 and H40.CE1 other bump:2.32008 Ang A13.CA and K37.NZ other bump:0.892469 Ang A13.CB and K37.NZ other bump:2.16118 Ang A13.CB and K37.CE other bump:2.98383 Ang A13.CB and K37.CD other bump:2.90364 Ang K28.NZ and G32.CA other bump:2.05615 Ang Y22.CZ and K27.NZ other bump:1.7571 Ang Y22.CE1 and K27.NZ other bump:1.91099 Ang Y22.OH and K27.NZ other bump:2.75892 Ang Y22.CE1 and K27.CE other bump:2.22425 Ang Y22.OH and K27.CE other bump:2.68482 Ang W15.CB and K19.CE neighbor-bump: 2.51452 Ang A9.O and V10.CG2 T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEG 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 136 :VSLEEIQKLTSALL 1bouB 205 :INKEFDLNFIDKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 6 total=456 Number of alignments=79 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 14 :IVKKSIEAVFPDRAVKETLPKLN 1bouB 29 :YWGPVFKGYQPIRDWIKQPGNMP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.50669 Ang T19.OG1 and K22.CD neighbor-bump: 1.6538 Ang L20.CA and P21.CD neighbor-bump: 1.85747 Ang L20.CB and P21.CD neighbor-bump: 1.79464 Ang L20.O and P21.CD neighbor-bump: 0.879339 Ang L20.C and P21.CD self-bump: 1.34894 Ang P21.N and P21.CD neighbor-bump: 3.01599 Ang L20.CA and P21.CG neighbor-bump: 1.86224 Ang L20.O and P21.CG neighbor-bump: 1.92255 Ang L20.C and P21.CG self-bump: 2.20163 Ang P21.N and P21.CG neighbor-bump: 1.94767 Ang L20.O and P21.CB neighbor-bump: 2.32185 Ang L20.C and P21.CB self-bump: 1.29401 Ang L20.CA and L20.CB T0187 40 :VIL 1bouB 94 :PDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 47 :KAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bouB 97 :KGHPDLAWHIAQSLILDEFDMTIMNQMDVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.28046 Ang V25.CG1 and Y28.CD2 other bump:3.03155 Ang V25.CB and Y28.CD2 other bump:3.14013 Ang V25.CG1 and Y28.CG other bump:2.65462 Ang Y12.OH and V24.CG1 other bump:2.38838 Ang Y12.CD1 and V24.CG1 other bump:1.90557 Ang Y12.CE1 and V24.CG1 other bump:2.39077 Ang Y12.CE2 and V24.CG1 other bump:1.89753 Ang Y12.CZ and V24.CG1 other bump:2.78644 Ang Y12.CG and V24.CG1 other bump:2.77113 Ang Y12.CD2 and V24.CG1 other bump:2.42343 Ang L15.CD2 and K18.NZ other bump:2.83366 Ang V14.CG1 and K18.CD T0187 77 :EGPIDDFEIYE 1bouB 139 :EPEEWPCKVIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.97544 Ang F8.CD1 and I10.CG2 other bump:2.62174 Ang F8.CE1 and I10.CG2 neighbor-bump: 2.62557 Ang D7.OD1 and F8.CD2 T0187 88 :AGHPVPDENTIKT 1bouB 155 :VTYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.30593 Ang D8.OD1 and T11.OG1 neighbor-bump: 2.73157 Ang V6.CG1 and P7.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSALL 1bouB 211 :LNFIDKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 8 total=464 Number of alignments=80 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 50 :WRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bouB 127 :HGCTVPLSMIFGEPEEWPCKVIPFPVNVV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.8377 Ang Y25.CD2 and H27.NE2 other bump:2.80768 Ang Y25.CD2 and H27.CE1 other bump:2.67861 Ang Y25.CE2 and H27.CE1 other bump:2.90364 Ang K15.NZ and G19.CA other bump:2.05615 Ang Y9.CZ and K14.NZ other bump:1.7571 Ang Y9.CE1 and K14.NZ other bump:1.91099 Ang Y9.OH and K14.NZ other bump:2.75892 Ang Y9.CE1 and K14.CE other bump:2.22425 Ang Y9.OH and K14.CE other bump:2.68482 Ang W2.CB and K6.CE T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA Number of specific fragments= 3 total=467 Number of alignments=81 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 50 :WRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bouB 127 :HGCTVPLSMIFGEPEEWPCKVIPFPVNVV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.8377 Ang Y25.CD2 and H27.NE2 other bump:2.80768 Ang Y25.CD2 and H27.CE1 other bump:2.67861 Ang Y25.CE2 and H27.CE1 other bump:2.90364 Ang K15.NZ and G19.CA other bump:2.05615 Ang Y9.CZ and K14.NZ other bump:1.7571 Ang Y9.CE1 and K14.NZ other bump:1.91099 Ang Y9.OH and K14.NZ other bump:2.75892 Ang Y9.CE1 and K14.CE other bump:2.22425 Ang Y9.OH and K14.CE other bump:2.68482 Ang W2.CB and K6.CE T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQ 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEFD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47126 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA Number of specific fragments= 3 total=470 Number of alignments=82 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 14 :IVKKSIEAVFPDRAVKETLPKLN 1bouB 29 :YWGPVFKGYQPIRDWIKQPGNMP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.50669 Ang T19.OG1 and K22.CD neighbor-bump: 1.6538 Ang L20.CA and P21.CD neighbor-bump: 1.85747 Ang L20.CB and P21.CD neighbor-bump: 1.79464 Ang L20.O and P21.CD neighbor-bump: 0.879339 Ang L20.C and P21.CD self-bump: 1.34894 Ang P21.N and P21.CD neighbor-bump: 3.01599 Ang L20.CA and P21.CG neighbor-bump: 1.86224 Ang L20.O and P21.CG neighbor-bump: 1.92255 Ang L20.C and P21.CG self-bump: 2.20163 Ang P21.N and P21.CG neighbor-bump: 1.94767 Ang L20.O and P21.CB neighbor-bump: 2.32185 Ang L20.C and P21.CB self-bump: 1.29401 Ang L20.CA and L20.CB T0187 50 :WRMAKAAYEVLGKKIRKGVVVTKYGHS 1bouB 100 :PDLAWHIAQSLILDEFDMTIMNQMDVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.03155 Ang V22.CB and Y25.CD2 other bump:2.28046 Ang V22.CG1 and Y25.CD2 other bump:3.14013 Ang V22.CG1 and Y25.CG other bump:2.65462 Ang Y9.OH and V21.CG1 other bump:2.38838 Ang Y9.CD1 and V21.CG1 other bump:2.78644 Ang Y9.CG and V21.CG1 other bump:2.77113 Ang Y9.CD2 and V21.CG1 other bump:1.90557 Ang Y9.CE1 and V21.CG1 other bump:2.39077 Ang Y9.CE2 and V21.CG1 other bump:1.89753 Ang Y9.CZ and V21.CG1 other bump:2.42343 Ang L12.CD2 and K15.NZ other bump:2.83366 Ang V11.CG1 and K15.CD T0187 77 :EGPIDDFEIYE 1bouB 139 :EPEEWPCKVIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.97544 Ang F8.CD1 and I10.CG2 other bump:2.62174 Ang F8.CE1 and I10.CG2 neighbor-bump: 2.62557 Ang D7.OD1 and F8.CD2 T0187 88 :AGHPVPDENTIKT 1bouB 155 :VTYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.30593 Ang D8.OD1 and T11.OG1 neighbor-bump: 2.73157 Ang V6.CG1 and P7.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEG 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 136 :VSLEEIQKLTSALLK 1bouB 205 :INKEFDLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 7 total=477 Number of alignments=83 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 14 :IVKKSIEAVFPDRAVKETLPKLN 1bouB 29 :YWGPVFKGYQPIRDWIKQPGNMP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.50669 Ang T19.OG1 and K22.CD neighbor-bump: 1.6538 Ang L20.CA and P21.CD neighbor-bump: 1.85747 Ang L20.CB and P21.CD neighbor-bump: 1.79464 Ang L20.O and P21.CD neighbor-bump: 0.879339 Ang L20.C and P21.CD self-bump: 1.34894 Ang P21.N and P21.CD neighbor-bump: 3.01599 Ang L20.CA and P21.CG neighbor-bump: 1.86224 Ang L20.O and P21.CG neighbor-bump: 1.92255 Ang L20.C and P21.CG self-bump: 2.20163 Ang P21.N and P21.CG neighbor-bump: 1.94767 Ang L20.O and P21.CB neighbor-bump: 2.32185 Ang L20.C and P21.CB self-bump: 1.29401 Ang L20.CA and L20.CB T0187 41 :ILVAV 1bouB 95 :DVKGH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 50 :WRMAKAAYEVLGKKIRKGVVVTKYGHS 1bouB 100 :PDLAWHIAQSLILDEFDMTIMNQMDVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.03155 Ang V22.CB and Y25.CD2 other bump:2.28046 Ang V22.CG1 and Y25.CD2 other bump:3.14013 Ang V22.CG1 and Y25.CG other bump:2.65462 Ang Y9.OH and V21.CG1 other bump:2.38838 Ang Y9.CD1 and V21.CG1 other bump:2.78644 Ang Y9.CG and V21.CG1 other bump:2.77113 Ang Y9.CD2 and V21.CG1 other bump:1.90557 Ang Y9.CE1 and V21.CG1 other bump:2.39077 Ang Y9.CE2 and V21.CG1 other bump:1.89753 Ang Y9.CZ and V21.CG1 other bump:2.42343 Ang L12.CD2 and K15.NZ other bump:2.83366 Ang V11.CG1 and K15.CD T0187 77 :EGPIDDFEIYE 1bouB 139 :EPEEWPCKVIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.97544 Ang F8.CD1 and I10.CG2 other bump:2.62174 Ang F8.CE1 and I10.CG2 neighbor-bump: 2.62557 Ang D7.OD1 and F8.CD2 T0187 88 :AGHPVPDENTIKT 1bouB 155 :VTYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.30593 Ang D8.OD1 and T11.OG1 neighbor-bump: 2.73157 Ang V6.CG1 and P7.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSALL 1bouB 211 :LNFIDKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 8 total=485 Number of alignments=84 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 61 :GKKIRKGVVVTKYGHSEG 1bouB 140 :PEEWPCKVIPFPVNVVTY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 158 :PPPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.06226 Ang L45.CD1 and V48.CG2 other bump:2.43658 Ang L45.O and V48.CG2 neighbor-bump: 2.03547 Ang L43.CB and P44.CD neighbor-bump: 2.38609 Ang L43.CB and P44.N self-bump: 2.1954 Ang L43.CB and L43.C self-bump: 1.34504 Ang L43.CA and L43.CB other bump:2.26899 Ang L40.CD1 and E42.O neighbor-bump: 2.78778 Ang G36.CA and G37.CA other bump:2.48561 Ang V4.CG1 and N8.OD1 other bump:2.98407 Ang V4.CG1 and N8.CG other bump:2.83965 Ang V4.CG1 and N8.CB neighbor-bump: 2.84776 Ang V4.CG1 and P5.CD Number of specific fragments= 2 total=487 Number of alignments=85 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 52 :MAKAAYEVLGKK 1bouB 129 :CTVPLSMIFGEP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.91099 Ang Y7.OH and K12.NZ other bump:1.7571 Ang Y7.CE1 and K12.NZ other bump:2.05615 Ang Y7.CZ and K12.NZ other bump:2.22425 Ang Y7.OH and K12.CE other bump:2.75892 Ang Y7.CE1 and K12.CE T0187 64 :IRKGVVVTKYGHS 1bouB 143 :WPCKVIPFPVNVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSAL 1bouB 211 :LNFIDKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 5 total=492 Number of alignments=86 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 14 :IVKKSIEAVFPDRAVKETLPKLN 1bouB 29 :YWGPVFKGYQPIRDWIKQPGNMP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.50669 Ang T19.OG1 and K22.CD neighbor-bump: 1.6538 Ang L20.CA and P21.CD neighbor-bump: 1.85747 Ang L20.CB and P21.CD neighbor-bump: 1.79464 Ang L20.O and P21.CD neighbor-bump: 0.879339 Ang L20.C and P21.CD self-bump: 1.34894 Ang P21.N and P21.CD neighbor-bump: 3.01599 Ang L20.CA and P21.CG neighbor-bump: 1.86224 Ang L20.O and P21.CG neighbor-bump: 1.92255 Ang L20.C and P21.CG self-bump: 2.20163 Ang P21.N and P21.CG neighbor-bump: 1.94767 Ang L20.O and P21.CB neighbor-bump: 2.32185 Ang L20.C and P21.CB self-bump: 1.29401 Ang L20.CA and L20.CB T0187 47 :KAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bouB 97 :KGHPDLAWHIAQSLILDEFDMTIMNQMDVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.28046 Ang V25.CG1 and Y28.CD2 other bump:3.03155 Ang V25.CB and Y28.CD2 other bump:3.14013 Ang V25.CG1 and Y28.CG other bump:2.65462 Ang Y12.OH and V24.CG1 other bump:2.38838 Ang Y12.CD1 and V24.CG1 other bump:1.90557 Ang Y12.CE1 and V24.CG1 other bump:2.39077 Ang Y12.CE2 and V24.CG1 other bump:1.89753 Ang Y12.CZ and V24.CG1 other bump:2.78644 Ang Y12.CG and V24.CG1 other bump:2.77113 Ang Y12.CD2 and V24.CG1 other bump:2.42343 Ang L15.CD2 and K18.NZ other bump:2.83366 Ang V14.CG1 and K18.CD T0187 77 :EGPIDDFEIYE 1bouB 139 :EPEEWPCKVIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.97544 Ang F8.CD1 and I10.CG2 other bump:2.62174 Ang F8.CE1 and I10.CG2 neighbor-bump: 2.62557 Ang D7.OD1 and F8.CD2 T0187 88 :AGHPVPDENTIKT 1bouB 155 :VTYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.30593 Ang D8.OD1 and T11.OG1 neighbor-bump: 2.73157 Ang V6.CG1 and P7.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 137 :SLEEIQKLTSALLK 1bouB 206 :NKEFDLNFIDKLIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 7 total=499 Number of alignments=87 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAIE 1bouB 11 :SHIPALGAAIQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.10232 Ang D2.CB and K7.NZ neighbor-bump: 2.36156 Ang D2.CA and P3.CD self-bump: 1.38028 Ang P3.N and P3.CD neighbor-bump: 1.90924 Ang D2.C and P3.CD T0187 15 :VKKSIEAVFPDRAVKETLP 1bouB 30 :WGPVFKGYQPIRDWIKQPG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 1.6538 Ang L19.CA and P20.CD neighbor-bump: 1.85747 Ang L19.CB and P20.CD neighbor-bump: 1.79463 Ang L19.O and P20.CD neighbor-bump: 0.87933 Ang L19.C and P20.CD self-bump: 1.34893 Ang P20.N and P20.CD neighbor-bump: 3.016 Ang L19.CA and P20.CG neighbor-bump: 1.86225 Ang L19.O and P20.CG neighbor-bump: 1.92256 Ang L19.C and P20.CG self-bump: 2.20164 Ang P20.N and P20.CG neighbor-bump: 1.94767 Ang L19.O and P20.CB neighbor-bump: 2.32185 Ang L19.C and P20.CB self-bump: 1.29401 Ang L19.CA and L19.CB T0187 47 :KAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bouB 97 :KGHPDLAWHIAQSLILDEFDMTIMNQMDVD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.28046 Ang V25.CG1 and Y28.CD2 other bump:3.03155 Ang V25.CB and Y28.CD2 other bump:3.14013 Ang V25.CG1 and Y28.CG other bump:2.65462 Ang Y12.OH and V24.CG1 other bump:2.38838 Ang Y12.CD1 and V24.CG1 other bump:1.90557 Ang Y12.CE1 and V24.CG1 other bump:2.39077 Ang Y12.CE2 and V24.CG1 other bump:1.89753 Ang Y12.CZ and V24.CG1 other bump:2.78644 Ang Y12.CG and V24.CG1 other bump:2.77113 Ang Y12.CD2 and V24.CG1 other bump:2.42343 Ang L15.CD2 and K18.NZ other bump:2.83366 Ang V14.CG1 and K18.CD T0187 77 :EGPIDDFEIYE 1bouB 139 :EPEEWPCKVIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.97544 Ang F8.CD1 and I10.CG2 other bump:2.62174 Ang F8.CE1 and I10.CG2 neighbor-bump: 2.62557 Ang D7.OD1 and F8.CD2 T0187 88 :AGHPVPDENTIKT 1bouB 155 :VTYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.30593 Ang D8.OD1 and T11.OG1 neighbor-bump: 2.73157 Ang V6.CG1 and P7.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSALL 1bouB 211 :LNFIDKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=506 Number of alignments=88 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAI 1bouB 12 :HIPALGAAIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.49703 Ang D2.N and P3.CD T0187 13 :EIVKKSIE 1bouB 31 :GPVFKGYQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 24 :PDRAVKE 1bouB 39 :PIRDWIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 34 :KLNLDR 1bouB 46 :QPGNMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 1.29401 Ang L3.CA and L3.CB T0187 40 :VILVAV 1bouB 53 :VVILVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKK 1bouB 98 :GHPDLAWHIAQSLILDEF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.80549 Ang W6.CZ2 and K10.NZ other bump:3.16658 Ang W6.CH2 and K10.NZ other bump:1.53818 Ang W6.CZ2 and K10.CE other bump:2.08296 Ang W6.CH2 and K10.CE other bump:2.39239 Ang W6.CE2 and K10.CE other bump:3.12686 Ang W6.CZ3 and K10.CE other bump:2.54093 Ang W6.CZ2 and K10.CD other bump:2.70867 Ang W6.CH2 and K10.CD other bump:2.79784 Ang W6.CE2 and K10.CD T0187 66 :KGVVV 1bouB 116 :DMTIM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 74 :GHS 1bouB 121 :NQM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 77 :EGPIDDFEIYEA 1bouB 140 :PEEWPCKVIPFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30992 Ang E9.OE1 and Y11.CZ other bump:3.07553 Ang E9.OE1 and Y11.CE2 other bump:2.46566 Ang E9.OE1 and Y11.CE1 T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 138 :LEEIQKLTSALLK 1bouB 208 :EFDLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 12 total=518 Number of alignments=89 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 3 :DPESLKKLAI 1bouB 12 :HIPALGAAIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.49703 Ang D2.N and P3.CD T0187 13 :EIVKKSI 1bouB 32 :PVFKGYQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 24 :PDRAVKE 1bouB 39 :PIRDWIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 34 :KLNLDR 1bouB 46 :QPGNMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 1.29401 Ang L3.CA and L3.CB T0187 40 :VILVAV 1bouB 53 :VVILVY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :G 1bouB 76 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 48 :AAWRMAKAAYEVLGKKI 1bouB 100 :PDLAWHIAQSLILDEFD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.80549 Ang W4.CZ2 and K8.NZ other bump:3.16658 Ang W4.CH2 and K8.NZ other bump:2.39239 Ang W4.CE2 and K8.CE other bump:1.53818 Ang W4.CZ2 and K8.CE other bump:3.12686 Ang W4.CZ3 and K8.CE other bump:2.08296 Ang W4.CH2 and K8.CE other bump:2.79784 Ang W4.CE2 and K8.CD other bump:2.54093 Ang W4.CZ2 and K8.CD other bump:2.70867 Ang W4.CH2 and K8.CD T0187 67 :GVVV 1bouB 117 :MTIM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 73 :YGH 1bouB 121 :NQM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 77 :EGPIDDFEIYEA 1bouB 140 :PEEWPCKVIPFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30992 Ang E9.OE1 and Y11.CZ other bump:3.07553 Ang E9.OE1 and Y11.CE2 other bump:2.46566 Ang E9.OE1 and Y11.CE1 T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVS 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 138 :LEEIQKLTSALLK 1bouB 208 :EFDLNFIDKLISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 13 total=531 Number of alignments=90 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 61 :GKKIRKGVVVTKYGHSEG 1bouB 140 :PEEWPCKVIPFPVNVVTY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 158 :PPPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.06226 Ang L45.CD1 and V48.CG2 other bump:2.43658 Ang L45.O and V48.CG2 neighbor-bump: 2.03547 Ang L43.CB and P44.CD neighbor-bump: 2.38609 Ang L43.CB and P44.N self-bump: 2.1954 Ang L43.CB and L43.C self-bump: 1.34504 Ang L43.CA and L43.CB other bump:2.26899 Ang L40.CD1 and E42.O neighbor-bump: 2.78778 Ang G36.CA and G37.CA other bump:2.48561 Ang V4.CG1 and N8.OD1 other bump:2.98407 Ang V4.CG1 and N8.CG other bump:2.83965 Ang V4.CG1 and N8.CB neighbor-bump: 2.84776 Ang V4.CG1 and P5.CD Number of specific fragments= 2 total=533 Number of alignments=91 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 50 :WRMAKAAYEVLGKK 1bouB 127 :HGCTVPLSMIFGEP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.7571 Ang Y9.CE1 and K14.NZ other bump:2.05615 Ang Y9.CZ and K14.NZ other bump:1.91099 Ang Y9.OH and K14.NZ other bump:2.75892 Ang Y9.CE1 and K14.CE other bump:2.22425 Ang Y9.OH and K14.CE other bump:2.68482 Ang W2.CB and K6.CE T0187 64 :IRKGVVVTKYGHS 1bouB 143 :WPCKVIPFPVNVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSA 1bouB 211 :LNFIDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 5 total=538 Number of alignments=92 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 61 :GKKIRKGVVVTKYGHSEG 1bouB 140 :PEEWPCKVIPFPVNVVTY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 158 :PPPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:3.06226 Ang L45.CD1 and V48.CG2 other bump:2.43658 Ang L45.O and V48.CG2 neighbor-bump: 2.03547 Ang L43.CB and P44.CD neighbor-bump: 2.38609 Ang L43.CB and P44.N self-bump: 2.1954 Ang L43.CB and L43.C self-bump: 1.34504 Ang L43.CA and L43.CB other bump:2.26899 Ang L40.CD1 and E42.O neighbor-bump: 2.78778 Ang G36.CA and G37.CA other bump:2.48561 Ang V4.CG1 and N8.OD1 other bump:2.98407 Ang V4.CG1 and N8.CG other bump:2.83965 Ang V4.CG1 and N8.CB neighbor-bump: 2.84776 Ang V4.CG1 and P5.CD Number of specific fragments= 2 total=540 Number of alignments=93 # Reading fragments from alignment file # T0187 read from T0187-1bouB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 50 :WRMAKAAYEVLGKK 1bouB 127 :HGCTVPLSMIFGEP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:1.7571 Ang Y9.CE1 and K14.NZ other bump:2.05615 Ang Y9.CZ and K14.NZ other bump:1.91099 Ang Y9.OH and K14.NZ other bump:2.75892 Ang Y9.CE1 and K14.CE other bump:2.22425 Ang Y9.OH and K14.CE other bump:2.68482 Ang W2.CB and K6.CE T0187 64 :IRKGVVVTKYGHS 1bouB 143 :WPCKVIPFPVNVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 89 :GHPVPDENTIKT 1bouB 156 :TYPPPSGKRCFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.30593 Ang D7.OD1 and T10.OG1 neighbor-bump: 2.73157 Ang V5.CG1 and P6.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEI 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.8778 Ang L39.CD2 and I42.CD1 other bump:2.47125 Ang L39.CD2 and I42.CG1 other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA T0187 142 :QKLTSA 1bouB 211 :LNFIDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 5 total=545 Number of alignments=94 # Reading fragments from alignment file # T0187 read from T0187-1bouB-local-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-local-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 91 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:3.06226 Ang L44.CD1 and V47.CG2 other bump:2.43658 Ang L44.O and V47.CG2 neighbor-bump: 2.03547 Ang L42.CB and P43.CD neighbor-bump: 2.38609 Ang L42.CB and P43.N self-bump: 2.1954 Ang L42.CB and L42.C self-bump: 1.34504 Ang L42.CA and L42.CB other bump:2.26899 Ang L39.CD1 and E41.O neighbor-bump: 2.78778 Ang G35.CA and G36.CA other bump:2.48561 Ang V3.CG1 and N7.OD1 other bump:2.98407 Ang V3.CG1 and N7.CG other bump:2.83965 Ang V3.CG1 and N7.CB neighbor-bump: 2.84776 Ang V3.CG1 and P4.CD Number of specific fragments= 1 total=546 Number of alignments=95 # Reading fragments from alignment file # T0187 read from T0187-1bouB-local-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-local-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 68 :VVVTKY 1bouB 145 :CKVIPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 84 :EIYEAGHPVPDENTIKT 1bouB 151 :PVNVVTYPPPSGKRCFA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.30593 Ang D12.OD1 and T15.OG1 other bump:2.67176 Ang E5.OE2 and P11.CD neighbor-bump: 2.73157 Ang V10.CG1 and P11.CD other bump:3.0314 Ang E5.CA and V10.CG2 other bump:3.02887 Ang E5.CD and V10.CG2 other bump:2.39382 Ang E5.OE1 and V10.CG2 other bump:1.96227 Ang E5.CD and V10.CG1 other bump:1.99688 Ang E5.OE1 and V10.CG1 other bump:1.52895 Ang E5.OE2 and V10.CG1 other bump:3.02188 Ang E5.CD and V10.CB other bump:2.59179 Ang E5.OE1 and V10.CB other bump:2.68001 Ang Y4.CE2 and G7.C other bump:2.13939 Ang Y4.CE2 and G7.O other bump:2.58151 Ang Y4.CE2 and G7.CA other bump:2.75201 Ang Y4.CZ and G7.CA other bump:2.27984 Ang Y4.OH and G7.CA other bump:2.32325 Ang Y4.CE2 and G7.N other bump:2.36907 Ang Y4.CZ and G7.N other bump:2.34599 Ang Y4.OH and G7.N T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSL 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLIN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA Number of specific fragments= 3 total=549 Number of alignments=96 # Reading fragments from alignment file # T0187 read from T0187-1bouB-simpleSW-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-simpleSW-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 108 :VDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQ 1bouB 176 :VESFPEDLNVHVWGTGGMSHQLQGPRAGLINKEFD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:1.8778 Ang L32.CD2 and I35.CD1 other bump:2.47126 Ang L32.CD2 and I35.CG1 other bump:3.06226 Ang L27.CD1 and V30.CG2 other bump:2.43658 Ang L27.O and V30.CG2 neighbor-bump: 2.03547 Ang L25.CB and P26.CD neighbor-bump: 2.38609 Ang L25.CB and P26.N self-bump: 2.1954 Ang L25.CB and L25.C self-bump: 1.34504 Ang L25.CA and L25.CB other bump:2.26899 Ang L22.CD1 and E24.O neighbor-bump: 2.78778 Ang G18.CA and G19.CA Number of specific fragments= 1 total=550 Number of alignments=97 # Reading fragments from alignment file # T0187 read from T0187-1bouB-simpleSW-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-simpleSW-adpstyle5.pw.a2m.gz # found chain 1bouB in template set Number of specific fragments= 0 total=550 # Reading fragments from alignment file # T0187 read from T0187-1bouB-vit-adpstyle1.pw.a2m.gz # 1bouB read from T0187-1bouB-vit-adpstyle1.pw.a2m.gz # found chain 1bouB in template set T0187 91 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGV 1bouB 159 :PPSGKRCFALGDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:3.06226 Ang L44.CD1 and V47.CG2 other bump:2.43658 Ang L44.O and V47.CG2 neighbor-bump: 2.03547 Ang L42.CB and P43.CD neighbor-bump: 2.38609 Ang L42.CB and P43.N self-bump: 2.1954 Ang L42.CB and L42.C self-bump: 1.34504 Ang L42.CA and L42.CB other bump:2.26899 Ang L39.CD1 and E41.O neighbor-bump: 2.78778 Ang G35.CA and G36.CA other bump:2.48561 Ang V3.CG1 and N7.OD1 other bump:2.98407 Ang V3.CG1 and N7.CG other bump:2.83965 Ang V3.CG1 and N7.CB neighbor-bump: 2.84776 Ang V3.CG1 and P4.CD Number of specific fragments= 1 total=551 Number of alignments=98 # Reading fragments from alignment file # T0187 read from T0187-1bouB-vit-adpstyle5.pw.a2m.gz # 1bouB read from T0187-1bouB-vit-adpstyle5.pw.a2m.gz # found chain 1bouB in template set T0187 68 :VVVTKY 1bouB 145 :CKVIPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 84 :EIYEAGHPVPDENTIKT 1bouB 151 :PVNVVTYPPPSGKRCFA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.30593 Ang D12.OD1 and T15.OG1 other bump:2.67176 Ang E5.OE2 and P11.CD neighbor-bump: 2.73157 Ang V10.CG1 and P11.CD other bump:3.0314 Ang E5.CA and V10.CG2 other bump:3.02887 Ang E5.CD and V10.CG2 other bump:2.39382 Ang E5.OE1 and V10.CG2 other bump:1.96227 Ang E5.CD and V10.CG1 other bump:1.99688 Ang E5.OE1 and V10.CG1 other bump:1.52895 Ang E5.OE2 and V10.CG1 other bump:3.02188 Ang E5.CD and V10.CB other bump:2.59179 Ang E5.OE1 and V10.CB other bump:2.68001 Ang Y4.CE2 and G7.C other bump:2.13939 Ang Y4.CE2 and G7.O other bump:2.58151 Ang Y4.CE2 and G7.CA other bump:2.75201 Ang Y4.CZ and G7.CA other bump:2.27984 Ang Y4.OH and G7.CA other bump:2.32325 Ang Y4.CE2 and G7.N other bump:2.36907 Ang Y4.CZ and G7.N other bump:2.34599 Ang Y4.OH and G7.N T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFELPLEGVSL 1bouB 169 :GDSIRAAVESFPEDLNVHVWGTGGMSHQLQGPRAGLIN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:3.06226 Ang L34.CD1 and V37.CG2 other bump:2.43658 Ang L34.O and V37.CG2 neighbor-bump: 2.03547 Ang L32.CB and P33.CD neighbor-bump: 2.38609 Ang L32.CB and P33.N self-bump: 2.1954 Ang L32.CB and L32.C self-bump: 1.34504 Ang L32.CA and L32.CB other bump:2.26899 Ang L29.CD1 and E31.O neighbor-bump: 2.78778 Ang G25.CA and G26.CA Number of specific fragments= 3 total=554 Number of alignments=99 # Prefix for input files set to 1lk5A/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1lk5A-T0187-local-adpstyle1.pw.a2m.gz # 1lk5A read from 1lk5A-T0187-local-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 58 :EVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTTRRVLELVDQLNEN 1lk5A 37 :KLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPN Fragment has 77 clashes (null) has 77 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:2.9745 Ang V52.CG1 and Q54.C other bump:2.39821 Ang V52.CG1 and Q54.O self-bump: 1.39644 Ang R46.CA and R46.CB other bump:2.54391 Ang I42.CG2 and T44.O other bump:2.08254 Ang D38.O and T41.OG1 other bump:2.81948 Ang D38.OD2 and T41.CG2 other bump:2.44476 Ang D38.CG and N40.OD1 other bump:1.91005 Ang D38.OD2 and N40.OD1 other bump:2.74036 Ang D38.OD2 and N40.CG other bump:2.54418 Ang H19.NE2 and E39.CA other bump:3.11162 Ang H19.ND1 and E39.CA other bump:2.14111 Ang H19.CE1 and E39.CA other bump:1.86311 Ang H19.NE2 and E39.N other bump:2.6561 Ang H19.ND1 and E39.N other bump:1.37001 Ang H19.CE1 and E39.N other bump:2.62915 Ang H19.NE2 and D38.C other bump:2.49574 Ang H19.ND1 and D38.C other bump:1.5944 Ang H19.CE1 and D38.C other bump:2.32277 Ang H19.CE1 and D38.O other bump:3.08965 Ang H19.ND1 and D38.CA other bump:2.42661 Ang H19.CE1 and D38.CA other bump:2.02063 Ang Y17.OH and P37.C other bump:3.04043 Ang Y17.CZ and P37.C other bump:2.31853 Ang Y17.OH and P37.CD other bump:2.49365 Ang G18.O and P37.CD neighbor-bump: 2.43782 Ang V36.CA and P37.CD neighbor-bump: 1.82572 Ang V36.C and P37.CD other bump:2.68266 Ang Y17.CG and P37.CD other bump:2.46614 Ang Y17.CD1 and P37.CD other bump:2.35382 Ang Y17.CD2 and P37.CD other bump:1.89313 Ang Y17.CE1 and P37.CD other bump:1.74757 Ang Y17.CE2 and P37.CD other bump:1.443 Ang Y17.CZ and P37.CD other bump:1.77641 Ang Y17.OH and P37.CG other bump:2.58544 Ang Y17.CG and P37.CG other bump:1.90212 Ang Y17.CD1 and P37.CG other bump:2.53051 Ang Y17.CD2 and P37.CG other bump:0.734868 Ang Y17.CE1 and P37.CG other bump:1.83294 Ang Y17.CE2 and P37.CG other bump:0.657138 Ang Y17.CZ and P37.CG other bump:0.618089 Ang Y17.OH and P37.CB other bump:2.14627 Ang Y17.CE1 and P37.CB other bump:2.09517 Ang Y17.CE2 and P37.CB other bump:1.09923 Ang Y17.CZ and P37.CB other bump:0.864336 Ang Y17.OH and P37.CA other bump:2.89593 Ang Y17.CE1 and P37.CA other bump:2.87964 Ang Y17.CE2 and P37.CA other bump:1.97214 Ang Y17.CZ and P37.CA other bump:1.92789 Ang Y17.OH and P37.N other bump:2.86115 Ang Y17.CE1 and P37.N other bump:2.64103 Ang Y17.CE2 and P37.N other bump:2.09063 Ang Y17.CZ and P37.N other bump:2.45017 Ang Y17.CE2 and V36.C other bump:2.63366 Ang Y17.CZ and V36.C other bump:2.4301 Ang Y17.CE2 and V36.O other bump:2.94246 Ang Y30.CZ and V36.CG1 other bump:2.79283 Ang Y30.OH and V36.CG1 other bump:1.73326 Ang G5.CA and H34.NE2 other bump:2.28353 Ang G5.N and H34.NE2 other bump:1.90365 Ang G5.CA and H34.CE1 other bump:3.07339 Ang G5.C and H34.CE1 other bump:2.49561 Ang G5.N and H34.CE1 other bump:2.9949 Ang L4.C and H34.CE1 other bump:2.76082 Ang I8.CD1 and H34.CE1 other bump:3.20326 Ang G5.CA and H34.ND1 other bump:2.38752 Ang I8.CD1 and H34.ND1 other bump:3.09015 Ang G5.CA and H34.CD2 other bump:2.39173 Ang D26.OD1 and Y30.CE1 other bump:2.61122 Ang D26.CG and Y30.CE1 other bump:2.40539 Ang D26.OD2 and Y30.CE1 other bump:2.61199 Ang D26.O and Y30.CD1 other bump:2.5429 Ang S20.OG and D26.N other bump:2.58644 Ang S20.OG and D25.CB other bump:2.93369 Ang L4.CG and K16.CE other bump:1.96025 Ang L4.CD2 and K16.CE other bump:3.00902 Ang K7.CG and V12.CG1 other bump:2.66174 Ang K7.CE and V12.CG1 T0187 118 :LFLLSGGGSSLF 1lk5A 94 :LNLIKGRGAALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 2 total=556 Number of alignments=100 # Reading fragments from alignment file # T0187 read from 1lk5A-T0187-local-adpstyle5.pw.a2m.gz # 1lk5A read from 1lk5A-T0187-local-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 53 :AKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTTRRVLELVDQLNEN 1lk5A 32 :TAYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPN Fragment has 79 clashes (null) has 79 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 64 residues other bump:2.9745 Ang V57.CG1 and Q59.C other bump:2.39821 Ang V57.CG1 and Q59.O other bump:3.0497 Ang A5.CB and L54.CD2 self-bump: 1.39644 Ang R51.CA and R51.CB other bump:2.54391 Ang I47.CG2 and T49.O other bump:2.08254 Ang D43.O and T46.OG1 other bump:2.81948 Ang D43.OD2 and T46.CG2 other bump:2.44476 Ang D43.CG and N45.OD1 other bump:1.91005 Ang D43.OD2 and N45.OD1 other bump:2.74036 Ang D43.OD2 and N45.CG other bump:2.54418 Ang H24.NE2 and E44.CA other bump:3.11162 Ang H24.ND1 and E44.CA other bump:2.14111 Ang H24.CE1 and E44.CA other bump:1.86311 Ang H24.NE2 and E44.N other bump:2.6561 Ang H24.ND1 and E44.N other bump:1.37001 Ang H24.CE1 and E44.N other bump:2.62915 Ang H24.NE2 and D43.C other bump:2.49574 Ang H24.ND1 and D43.C other bump:1.5944 Ang H24.CE1 and D43.C other bump:2.32277 Ang H24.CE1 and D43.O other bump:3.08965 Ang H24.ND1 and D43.CA other bump:2.42661 Ang H24.CE1 and D43.CA other bump:2.02063 Ang Y22.OH and P42.C other bump:3.04043 Ang Y22.CZ and P42.C other bump:2.31853 Ang Y22.OH and P42.CD other bump:2.49365 Ang G23.O and P42.CD neighbor-bump: 2.43782 Ang V41.CA and P42.CD neighbor-bump: 1.82572 Ang V41.C and P42.CD other bump:2.68266 Ang Y22.CG and P42.CD other bump:2.46614 Ang Y22.CD1 and P42.CD other bump:2.35382 Ang Y22.CD2 and P42.CD other bump:1.89313 Ang Y22.CE1 and P42.CD other bump:1.74757 Ang Y22.CE2 and P42.CD other bump:1.443 Ang Y22.CZ and P42.CD other bump:1.77641 Ang Y22.OH and P42.CG other bump:2.58544 Ang Y22.CG and P42.CG other bump:1.90212 Ang Y22.CD1 and P42.CG other bump:2.53051 Ang Y22.CD2 and P42.CG other bump:0.734868 Ang Y22.CE1 and P42.CG other bump:1.83294 Ang Y22.CE2 and P42.CG other bump:0.657138 Ang Y22.CZ and P42.CG other bump:0.618089 Ang Y22.OH and P42.CB other bump:2.14627 Ang Y22.CE1 and P42.CB other bump:2.09517 Ang Y22.CE2 and P42.CB other bump:1.09923 Ang Y22.CZ and P42.CB other bump:0.864336 Ang Y22.OH and P42.CA other bump:2.89593 Ang Y22.CE1 and P42.CA other bump:2.87964 Ang Y22.CE2 and P42.CA other bump:1.97214 Ang Y22.CZ and P42.CA other bump:1.92789 Ang Y22.OH and P42.N other bump:2.86115 Ang Y22.CE1 and P42.N other bump:2.64103 Ang Y22.CE2 and P42.N other bump:2.09063 Ang Y22.CZ and P42.N other bump:2.45017 Ang Y22.CE2 and V41.C other bump:2.63366 Ang Y22.CZ and V41.C other bump:2.4301 Ang Y22.CE2 and V41.O other bump:2.94246 Ang Y35.CZ and V41.CG1 other bump:2.79283 Ang Y35.OH and V41.CG1 other bump:1.73326 Ang G10.CA and H39.NE2 other bump:2.28353 Ang G10.N and H39.NE2 other bump:1.90365 Ang G10.CA and H39.CE1 other bump:3.07339 Ang G10.C and H39.CE1 other bump:2.49561 Ang G10.N and H39.CE1 other bump:2.9949 Ang L9.C and H39.CE1 other bump:2.76082 Ang I13.CD1 and H39.CE1 other bump:3.20326 Ang G10.CA and H39.ND1 other bump:2.38752 Ang I13.CD1 and H39.ND1 other bump:3.09015 Ang G10.CA and H39.CD2 other bump:2.39173 Ang D31.OD1 and Y35.CE1 other bump:2.61122 Ang D31.CG and Y35.CE1 other bump:2.40539 Ang D31.OD2 and Y35.CE1 other bump:2.61199 Ang D31.O and Y35.CD1 other bump:2.5429 Ang S25.OG and D31.N other bump:2.9056 Ang Y6.CE2 and D30.OD1 other bump:2.58644 Ang S25.OG and D30.CB other bump:2.93369 Ang L9.CG and K21.CE other bump:1.96025 Ang L9.CD2 and K21.CE other bump:3.00902 Ang K12.CG and V17.CG1 other bump:2.66174 Ang K12.CE and V17.CG1 T0187 118 :LFLLSGGGSSLF 1lk5A 94 :LNLIKGRGAALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 2 total=558 Number of alignments=101 # Reading fragments from alignment file # T0187 read from 1lk5A-T0187-vit-adpstyle1.pw.a2m.gz # 1lk5A read from 1lk5A-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 58 :EVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTTRRVLELVDQLNEN 1lk5A 37 :KLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPN Fragment has 77 clashes (null) has 77 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:2.9745 Ang V52.CG1 and Q54.C other bump:2.39821 Ang V52.CG1 and Q54.O self-bump: 1.39644 Ang R46.CA and R46.CB other bump:2.54391 Ang I42.CG2 and T44.O other bump:2.08254 Ang D38.O and T41.OG1 other bump:2.81948 Ang D38.OD2 and T41.CG2 other bump:2.44476 Ang D38.CG and N40.OD1 other bump:1.91005 Ang D38.OD2 and N40.OD1 other bump:2.74036 Ang D38.OD2 and N40.CG other bump:2.54418 Ang H19.NE2 and E39.CA other bump:3.11162 Ang H19.ND1 and E39.CA other bump:2.14111 Ang H19.CE1 and E39.CA other bump:1.86311 Ang H19.NE2 and E39.N other bump:2.6561 Ang H19.ND1 and E39.N other bump:1.37001 Ang H19.CE1 and E39.N other bump:2.62915 Ang H19.NE2 and D38.C other bump:2.49574 Ang H19.ND1 and D38.C other bump:1.5944 Ang H19.CE1 and D38.C other bump:2.32277 Ang H19.CE1 and D38.O other bump:3.08965 Ang H19.ND1 and D38.CA other bump:2.42661 Ang H19.CE1 and D38.CA other bump:2.02063 Ang Y17.OH and P37.C other bump:3.04043 Ang Y17.CZ and P37.C other bump:2.31853 Ang Y17.OH and P37.CD other bump:2.49365 Ang G18.O and P37.CD neighbor-bump: 2.43782 Ang V36.CA and P37.CD neighbor-bump: 1.82572 Ang V36.C and P37.CD other bump:2.68266 Ang Y17.CG and P37.CD other bump:2.46614 Ang Y17.CD1 and P37.CD other bump:2.35382 Ang Y17.CD2 and P37.CD other bump:1.89313 Ang Y17.CE1 and P37.CD other bump:1.74757 Ang Y17.CE2 and P37.CD other bump:1.443 Ang Y17.CZ and P37.CD other bump:1.77641 Ang Y17.OH and P37.CG other bump:2.58544 Ang Y17.CG and P37.CG other bump:1.90212 Ang Y17.CD1 and P37.CG other bump:2.53051 Ang Y17.CD2 and P37.CG other bump:0.734868 Ang Y17.CE1 and P37.CG other bump:1.83294 Ang Y17.CE2 and P37.CG other bump:0.657138 Ang Y17.CZ and P37.CG other bump:0.618089 Ang Y17.OH and P37.CB other bump:2.14627 Ang Y17.CE1 and P37.CB other bump:2.09517 Ang Y17.CE2 and P37.CB other bump:1.09923 Ang Y17.CZ and P37.CB other bump:0.864336 Ang Y17.OH and P37.CA other bump:2.89593 Ang Y17.CE1 and P37.CA other bump:2.87964 Ang Y17.CE2 and P37.CA other bump:1.97214 Ang Y17.CZ and P37.CA other bump:1.92789 Ang Y17.OH and P37.N other bump:2.86115 Ang Y17.CE1 and P37.N other bump:2.64103 Ang Y17.CE2 and P37.N other bump:2.09063 Ang Y17.CZ and P37.N other bump:2.45017 Ang Y17.CE2 and V36.C other bump:2.63366 Ang Y17.CZ and V36.C other bump:2.4301 Ang Y17.CE2 and V36.O other bump:2.94246 Ang Y30.CZ and V36.CG1 other bump:2.79283 Ang Y30.OH and V36.CG1 other bump:1.73326 Ang G5.CA and H34.NE2 other bump:2.28353 Ang G5.N and H34.NE2 other bump:1.90365 Ang G5.CA and H34.CE1 other bump:3.07339 Ang G5.C and H34.CE1 other bump:2.49561 Ang G5.N and H34.CE1 other bump:2.9949 Ang L4.C and H34.CE1 other bump:2.76082 Ang I8.CD1 and H34.CE1 other bump:3.20326 Ang G5.CA and H34.ND1 other bump:2.38752 Ang I8.CD1 and H34.ND1 other bump:3.09015 Ang G5.CA and H34.CD2 other bump:2.39173 Ang D26.OD1 and Y30.CE1 other bump:2.61122 Ang D26.CG and Y30.CE1 other bump:2.40539 Ang D26.OD2 and Y30.CE1 other bump:2.61199 Ang D26.O and Y30.CD1 other bump:2.5429 Ang S20.OG and D26.N other bump:2.58644 Ang S20.OG and D25.CB other bump:2.93369 Ang L4.CG and K16.CE other bump:1.96025 Ang L4.CD2 and K16.CE other bump:3.00902 Ang K7.CG and V12.CG1 other bump:2.66174 Ang K7.CE and V12.CG1 T0187 118 :LFLLSGGGSSLF 1lk5A 94 :LNLIKGRGAALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 2 total=560 Number of alignments=102 # Reading fragments from alignment file # T0187 read from 1lk5A-T0187-vit-adpstyle5.pw.a2m.gz # 1lk5A read from 1lk5A-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 53 :AKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTTRRVLELVDQLNEN 1lk5A 32 :TAYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPN Fragment has 79 clashes (null) has 79 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 64 residues other bump:2.9745 Ang V57.CG1 and Q59.C other bump:2.39821 Ang V57.CG1 and Q59.O other bump:3.0497 Ang A5.CB and L54.CD2 self-bump: 1.39644 Ang R51.CA and R51.CB other bump:2.54391 Ang I47.CG2 and T49.O other bump:2.08254 Ang D43.O and T46.OG1 other bump:2.81948 Ang D43.OD2 and T46.CG2 other bump:2.44476 Ang D43.CG and N45.OD1 other bump:1.91005 Ang D43.OD2 and N45.OD1 other bump:2.74036 Ang D43.OD2 and N45.CG other bump:2.54418 Ang H24.NE2 and E44.CA other bump:3.11162 Ang H24.ND1 and E44.CA other bump:2.14111 Ang H24.CE1 and E44.CA other bump:1.86311 Ang H24.NE2 and E44.N other bump:2.6561 Ang H24.ND1 and E44.N other bump:1.37001 Ang H24.CE1 and E44.N other bump:2.62915 Ang H24.NE2 and D43.C other bump:2.49574 Ang H24.ND1 and D43.C other bump:1.5944 Ang H24.CE1 and D43.C other bump:2.32277 Ang H24.CE1 and D43.O other bump:3.08965 Ang H24.ND1 and D43.CA other bump:2.42661 Ang H24.CE1 and D43.CA other bump:2.02063 Ang Y22.OH and P42.C other bump:3.04043 Ang Y22.CZ and P42.C other bump:2.31853 Ang Y22.OH and P42.CD other bump:2.49365 Ang G23.O and P42.CD neighbor-bump: 2.43782 Ang V41.CA and P42.CD neighbor-bump: 1.82572 Ang V41.C and P42.CD other bump:2.68266 Ang Y22.CG and P42.CD other bump:2.46614 Ang Y22.CD1 and P42.CD other bump:2.35382 Ang Y22.CD2 and P42.CD other bump:1.89313 Ang Y22.CE1 and P42.CD other bump:1.74757 Ang Y22.CE2 and P42.CD other bump:1.443 Ang Y22.CZ and P42.CD other bump:1.77641 Ang Y22.OH and P42.CG other bump:2.58544 Ang Y22.CG and P42.CG other bump:1.90212 Ang Y22.CD1 and P42.CG other bump:2.53051 Ang Y22.CD2 and P42.CG other bump:0.734868 Ang Y22.CE1 and P42.CG other bump:1.83294 Ang Y22.CE2 and P42.CG other bump:0.657138 Ang Y22.CZ and P42.CG other bump:0.618089 Ang Y22.OH and P42.CB other bump:2.14627 Ang Y22.CE1 and P42.CB other bump:2.09517 Ang Y22.CE2 and P42.CB other bump:1.09923 Ang Y22.CZ and P42.CB other bump:0.864336 Ang Y22.OH and P42.CA other bump:2.89593 Ang Y22.CE1 and P42.CA other bump:2.87964 Ang Y22.CE2 and P42.CA other bump:1.97214 Ang Y22.CZ and P42.CA other bump:1.92789 Ang Y22.OH and P42.N other bump:2.86115 Ang Y22.CE1 and P42.N other bump:2.64103 Ang Y22.CE2 and P42.N other bump:2.09063 Ang Y22.CZ and P42.N other bump:2.45017 Ang Y22.CE2 and V41.C other bump:2.63366 Ang Y22.CZ and V41.C other bump:2.4301 Ang Y22.CE2 and V41.O other bump:2.94246 Ang Y35.CZ and V41.CG1 other bump:2.79283 Ang Y35.OH and V41.CG1 other bump:1.73326 Ang G10.CA and H39.NE2 other bump:2.28353 Ang G10.N and H39.NE2 other bump:1.90365 Ang G10.CA and H39.CE1 other bump:3.07339 Ang G10.C and H39.CE1 other bump:2.49561 Ang G10.N and H39.CE1 other bump:2.9949 Ang L9.C and H39.CE1 other bump:2.76082 Ang I13.CD1 and H39.CE1 other bump:3.20326 Ang G10.CA and H39.ND1 other bump:2.38752 Ang I13.CD1 and H39.ND1 other bump:3.09015 Ang G10.CA and H39.CD2 other bump:2.39173 Ang D31.OD1 and Y35.CE1 other bump:2.61122 Ang D31.CG and Y35.CE1 other bump:2.40539 Ang D31.OD2 and Y35.CE1 other bump:2.61199 Ang D31.O and Y35.CD1 other bump:2.5429 Ang S25.OG and D31.N other bump:2.9056 Ang Y6.CE2 and D30.OD1 other bump:2.58644 Ang S25.OG and D30.CB other bump:2.93369 Ang L9.CG and K21.CE other bump:1.96025 Ang L9.CD2 and K21.CE other bump:3.00902 Ang K12.CG and V17.CG1 other bump:2.66174 Ang K12.CE and V17.CG1 T0187 118 :LFLLSGGGSSLF 1lk5A 94 :LNLIKGRGAALT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 2 total=562 Number of alignments=103 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKLAIE 1lk5A 2 :NVEEMKKIAAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 30 :ETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 13 :EALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 70 clashes (null) has 70 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.93148 Ang W22.CZ2 and S48.O other bump:2.46359 Ang W22.CH2 and S48.O other bump:2.53308 Ang L14.CB and Y45.OH other bump:1.64466 Ang L14.CG and Y45.OH other bump:2.33503 Ang L14.CD1 and Y45.OH other bump:0.638222 Ang L14.CD2 and Y45.OH other bump:2.94336 Ang L14.CB and Y45.CZ other bump:1.47213 Ang L14.CG and Y45.CZ other bump:1.79385 Ang L14.CD1 and Y45.CZ other bump:1.24398 Ang L14.CD2 and Y45.CZ other bump:3.24322 Ang L14.CA and Y45.CE2 other bump:2.62184 Ang L14.CB and Y45.CE2 other bump:1.24849 Ang L14.CG and Y45.CE2 other bump:1.75262 Ang L14.CD1 and Y45.CE2 other bump:2.10936 Ang L14.CD2 and Y45.CE2 other bump:3.15501 Ang L14.C and Y45.CE2 other bump:2.81543 Ang L14.CG and Y45.CE1 other bump:2.59558 Ang L14.CD1 and Y45.CE1 other bump:2.34783 Ang L14.CD2 and Y45.CE1 other bump:2.9765 Ang V15.C and Y45.CD2 other bump:2.60529 Ang L14.CG and Y45.CD2 other bump:2.54109 Ang L14.CD1 and Y45.CD2 other bump:2.98284 Ang V15.CB and V42.CG1 other bump:1.70992 Ang V15.CG2 and V42.CG1 other bump:2.2347 Ang L9.CD2 and V40.CG1 other bump:3.1748 Ang L9.CB and K38.C other bump:2.49848 Ang L9.CG and K38.C other bump:1.68747 Ang L9.CD1 and K38.C other bump:2.60664 Ang L9.CD2 and K38.C other bump:2.09689 Ang L9.CB and K38.O other bump:1.76208 Ang L9.CG and K38.O other bump:1.75824 Ang L9.CD1 and K38.O other bump:1.90323 Ang L9.CD2 and K38.O other bump:2.0818 Ang L9.CD1 and K38.CB other bump:2.73643 Ang L9.CG and K38.CA other bump:1.33547 Ang L9.CD1 and K38.CA other bump:2.13282 Ang L9.CG and K38.N other bump:1.17812 Ang L9.CD1 and K38.N other bump:2.96296 Ang L9.CD2 and K38.N other bump:3.22838 Ang L9.CG and R37.C other bump:2.50543 Ang L9.CD1 and R37.C other bump:2.73089 Ang L7.CB and R37.NH2 other bump:2.89966 Ang V31.CG1 and R37.CD other bump:3.14689 Ang V31.CG1 and R37.CG other bump:2.88717 Ang V31.CB and I36.CD1 other bump:2.2682 Ang V31.CG1 and I36.CD1 other bump:2.19841 Ang V31.CG1 and I36.CG1 other bump:2.57186 Ang A25.O and Y29.CD1 other bump:2.22415 Ang T3.CG2 and M24.CE other bump:2.87709 Ang T3.OG1 and M24.CE other bump:1.78461 Ang T3.CB and M24.CE other bump:2.88304 Ang T3.CA and M24.CE other bump:2.37878 Ang G18.O and W22.CD1 other bump:2.64843 Ang N8.CB and R11.NH2 other bump:0.97944 Ang N8.OD1 and R11.NH2 other bump:1.66658 Ang N8.CG and R11.NH2 other bump:2.56884 Ang N8.ND2 and R11.NH2 other bump:2.90782 Ang N8.N and R11.CZ other bump:2.76299 Ang N8.CB and R11.CZ other bump:2.07674 Ang N8.OD1 and R11.CZ other bump:2.49474 Ang N8.CG and R11.CZ other bump:2.53361 Ang N8.CA and R11.NE other bump:1.92554 Ang N8.N and R11.NE other bump:2.33192 Ang N8.CB and R11.NE other bump:2.73827 Ang N8.CG and R11.NE other bump:3.31544 Ang N8.CA and R11.CD other bump:2.5563 Ang N8.N and R11.CD neighbor-bump: 2.4039 Ang L9.CB and D10.N self-bump: 2.18975 Ang L9.CB and L9.C self-bump: 1.28154 Ang L9.CA and L9.CB T0187 77 :EGPIDDFEIYEAGHPVPDEN 1lk5A 74 :LDQVDAIDVAVDGADEVDPN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 97 :TIKTTRRVLELVDQ 1lk5A 102 :AALTMEKIIEYRAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80181 Ang E11.CA and D14.OD2 T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVSL 1lk5A 123 :ERKLVDYLCQKMPV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=569 Number of alignments=104 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKLA 1lk5A 2 :NVEEMKKIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 28 :VKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1lk5A 11 :AKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTS Fragment has 74 clashes (null) has 74 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.53308 Ang L16.CB and Y47.OH other bump:1.64466 Ang L16.CG and Y47.OH other bump:2.33503 Ang L16.CD1 and Y47.OH other bump:0.638222 Ang L16.CD2 and Y47.OH other bump:2.94336 Ang L16.CB and Y47.CZ other bump:1.47213 Ang L16.CG and Y47.CZ other bump:1.79385 Ang L16.CD1 and Y47.CZ other bump:1.24398 Ang L16.CD2 and Y47.CZ other bump:2.62184 Ang L16.CB and Y47.CE2 other bump:1.24849 Ang L16.CG and Y47.CE2 other bump:1.75262 Ang L16.CD1 and Y47.CE2 other bump:2.10936 Ang L16.CD2 and Y47.CE2 other bump:3.24322 Ang L16.CA and Y47.CE2 other bump:3.15501 Ang L16.C and Y47.CE2 other bump:2.81543 Ang L16.CG and Y47.CE1 other bump:2.59558 Ang L16.CD1 and Y47.CE1 other bump:2.34783 Ang L16.CD2 and Y47.CE1 other bump:2.9765 Ang V17.C and Y47.CD2 other bump:2.60529 Ang L16.CG and Y47.CD2 other bump:2.54109 Ang L16.CD1 and Y47.CD2 other bump:2.98284 Ang V17.CB and V44.CG1 other bump:1.70992 Ang V17.CG2 and V44.CG1 other bump:2.2347 Ang L11.CD2 and V42.CG1 other bump:3.1748 Ang L11.CB and K40.C other bump:2.49848 Ang L11.CG and K40.C other bump:1.68747 Ang L11.CD1 and K40.C other bump:2.60664 Ang L11.CD2 and K40.C other bump:2.09689 Ang L11.CB and K40.O other bump:1.76208 Ang L11.CG and K40.O other bump:1.75824 Ang L11.CD1 and K40.O other bump:1.90323 Ang L11.CD2 and K40.O other bump:2.0818 Ang L11.CD1 and K40.CB other bump:2.73643 Ang L11.CG and K40.CA other bump:1.33547 Ang L11.CD1 and K40.CA other bump:2.13282 Ang L11.CG and K40.N other bump:1.17812 Ang L11.CD1 and K40.N other bump:2.96296 Ang L11.CD2 and K40.N other bump:3.22838 Ang L11.CG and R39.C other bump:2.50543 Ang L11.CD1 and R39.C other bump:2.73089 Ang L9.CB and R39.NH2 other bump:2.89966 Ang V33.CG1 and R39.CD other bump:3.14689 Ang V33.CG1 and R39.CG other bump:2.88717 Ang V33.CB and I38.CD1 other bump:2.2682 Ang V33.CG1 and I38.CD1 other bump:2.19841 Ang V33.CG1 and I38.CG1 other bump:2.57186 Ang A27.O and Y31.CD1 other bump:2.22415 Ang T5.CG2 and M26.CE other bump:2.41656 Ang V2.O and M26.CE other bump:1.78461 Ang T5.CB and M26.CE other bump:2.87709 Ang T5.OG1 and M26.CE other bump:2.88304 Ang T5.CA and M26.CE other bump:3.00814 Ang V2.CG1 and M26.CB other bump:2.50039 Ang V2.CG1 and M26.CA other bump:2.39952 Ang V2.CG1 and M26.N other bump:2.81892 Ang V2.CG1 and R25.C other bump:2.37878 Ang G20.O and W24.CD1 other bump:2.46422 Ang V2.CG2 and A22.O other bump:2.64843 Ang N10.CB and R13.NH2 other bump:0.97944 Ang N10.OD1 and R13.NH2 other bump:1.66658 Ang N10.CG and R13.NH2 other bump:2.56884 Ang N10.ND2 and R13.NH2 other bump:2.90782 Ang N10.N and R13.CZ other bump:2.76299 Ang N10.CB and R13.CZ other bump:2.07674 Ang N10.OD1 and R13.CZ other bump:2.49474 Ang N10.CG and R13.CZ other bump:2.53361 Ang N10.CA and R13.NE other bump:1.92554 Ang N10.N and R13.NE other bump:2.33192 Ang N10.CB and R13.NE other bump:2.73827 Ang N10.CG and R13.NE other bump:3.31544 Ang N10.CA and R13.CD other bump:2.5563 Ang N10.N and R13.CD neighbor-bump: 2.4039 Ang L11.CB and D12.N self-bump: 2.18975 Ang L11.CB and L11.C self-bump: 1.28154 Ang L11.CA and L11.CB T0187 77 :EGPIDDFEIYEAGHPVPDEN 1lk5A 74 :LDQVDAIDVAVDGADEVDPN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 97 :TIKTTRRVLEL 1lk5A 102 :AALTMEKIIEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 113 :ENDTVLFLLS 1lk5A 113 :RAGTFIVLVD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.10367 Ang F8.CE1 and L10.CD2 other bump:2.26496 Ang F8.CZ and L10.CD2 other bump:1.43176 Ang F8.CE1 and L10.CD1 other bump:2.31974 Ang F8.CZ and L10.CD1 other bump:2.47416 Ang F8.CD1 and L10.CD1 other bump:1.64771 Ang F8.CE1 and L10.CG other bump:2.46238 Ang F8.CD1 and L10.CG other bump:2.86142 Ang N3.CG and T5.C other bump:2.39537 Ang N3.OD1 and T5.C other bump:2.43991 Ang N3.CG and T5.O other bump:2.30645 Ang N3.ND2 and T5.O other bump:2.12092 Ang N3.OD1 and T5.O other bump:2.74454 Ang N3.OD1 and T5.CA other bump:2.11361 Ang N3.OD1 and T5.N T0187 125 :GSSLFELPLEGVS 1lk5A 123 :ERKLVDYLCQKMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=576 Number of alignments=105 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTS Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=577 Number of alignments=106 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSY Fragment has 81 clashes (null) has 81 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues self-bump: 1.3988 Ang H52.CA and H52.CB other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=578 Number of alignments=107 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKLAIE 1lk5A 2 :NVEEMKKIAAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 30 :ETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 13 :EALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 70 clashes (null) has 70 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.93148 Ang W22.CZ2 and S48.O other bump:2.46359 Ang W22.CH2 and S48.O other bump:2.53308 Ang L14.CB and Y45.OH other bump:1.64466 Ang L14.CG and Y45.OH other bump:2.33503 Ang L14.CD1 and Y45.OH other bump:0.638222 Ang L14.CD2 and Y45.OH other bump:2.94336 Ang L14.CB and Y45.CZ other bump:1.47213 Ang L14.CG and Y45.CZ other bump:1.79385 Ang L14.CD1 and Y45.CZ other bump:1.24398 Ang L14.CD2 and Y45.CZ other bump:3.24322 Ang L14.CA and Y45.CE2 other bump:2.62184 Ang L14.CB and Y45.CE2 other bump:1.24849 Ang L14.CG and Y45.CE2 other bump:1.75262 Ang L14.CD1 and Y45.CE2 other bump:2.10936 Ang L14.CD2 and Y45.CE2 other bump:3.15501 Ang L14.C and Y45.CE2 other bump:2.81543 Ang L14.CG and Y45.CE1 other bump:2.59558 Ang L14.CD1 and Y45.CE1 other bump:2.34783 Ang L14.CD2 and Y45.CE1 other bump:2.9765 Ang V15.C and Y45.CD2 other bump:2.60529 Ang L14.CG and Y45.CD2 other bump:2.54109 Ang L14.CD1 and Y45.CD2 other bump:2.98284 Ang V15.CB and V42.CG1 other bump:1.70992 Ang V15.CG2 and V42.CG1 other bump:2.2347 Ang L9.CD2 and V40.CG1 other bump:3.1748 Ang L9.CB and K38.C other bump:2.49848 Ang L9.CG and K38.C other bump:1.68747 Ang L9.CD1 and K38.C other bump:2.60664 Ang L9.CD2 and K38.C other bump:2.09689 Ang L9.CB and K38.O other bump:1.76208 Ang L9.CG and K38.O other bump:1.75824 Ang L9.CD1 and K38.O other bump:1.90323 Ang L9.CD2 and K38.O other bump:2.0818 Ang L9.CD1 and K38.CB other bump:2.73643 Ang L9.CG and K38.CA other bump:1.33547 Ang L9.CD1 and K38.CA other bump:2.13282 Ang L9.CG and K38.N other bump:1.17812 Ang L9.CD1 and K38.N other bump:2.96296 Ang L9.CD2 and K38.N other bump:3.22838 Ang L9.CG and R37.C other bump:2.50543 Ang L9.CD1 and R37.C other bump:2.73089 Ang L7.CB and R37.NH2 other bump:2.89966 Ang V31.CG1 and R37.CD other bump:3.14689 Ang V31.CG1 and R37.CG other bump:2.88717 Ang V31.CB and I36.CD1 other bump:2.2682 Ang V31.CG1 and I36.CD1 other bump:2.19841 Ang V31.CG1 and I36.CG1 other bump:2.57186 Ang A25.O and Y29.CD1 other bump:2.22415 Ang T3.CG2 and M24.CE other bump:2.87709 Ang T3.OG1 and M24.CE other bump:1.78461 Ang T3.CB and M24.CE other bump:2.88304 Ang T3.CA and M24.CE other bump:2.37878 Ang G18.O and W22.CD1 other bump:2.64843 Ang N8.CB and R11.NH2 other bump:0.97944 Ang N8.OD1 and R11.NH2 other bump:1.66658 Ang N8.CG and R11.NH2 other bump:2.56884 Ang N8.ND2 and R11.NH2 other bump:2.90782 Ang N8.N and R11.CZ other bump:2.76299 Ang N8.CB and R11.CZ other bump:2.07674 Ang N8.OD1 and R11.CZ other bump:2.49474 Ang N8.CG and R11.CZ other bump:2.53361 Ang N8.CA and R11.NE other bump:1.92554 Ang N8.N and R11.NE other bump:2.33192 Ang N8.CB and R11.NE other bump:2.73827 Ang N8.CG and R11.NE other bump:3.31544 Ang N8.CA and R11.CD other bump:2.5563 Ang N8.N and R11.CD neighbor-bump: 2.4039 Ang L9.CB and D10.N self-bump: 2.18975 Ang L9.CB and L9.C self-bump: 1.28154 Ang L9.CA and L9.CB T0187 77 :EGPIDDFEIYEAGHPVPDEN 1lk5A 74 :LDQVDAIDVAVDGADEVDPN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 97 :TIKTTRRVLELVDQ 1lk5A 102 :AALTMEKIIEYRAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80181 Ang E11.CA and D14.OD2 T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVSL 1lk5A 123 :ERKLVDYLCQKMPV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=585 Number of alignments=108 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKL 1lk5A 2 :NVEEMKKI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 27 :AVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 10 :AAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 76 clashes (null) has 76 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.93148 Ang W25.CZ2 and S51.O other bump:2.46359 Ang W25.CH2 and S51.O other bump:2.53308 Ang L17.CB and Y48.OH other bump:1.64466 Ang L17.CG and Y48.OH other bump:2.33503 Ang L17.CD1 and Y48.OH other bump:0.638222 Ang L17.CD2 and Y48.OH other bump:2.94336 Ang L17.CB and Y48.CZ other bump:1.47213 Ang L17.CG and Y48.CZ other bump:1.79385 Ang L17.CD1 and Y48.CZ other bump:1.24398 Ang L17.CD2 and Y48.CZ other bump:3.24322 Ang L17.CA and Y48.CE2 other bump:2.62184 Ang L17.CB and Y48.CE2 other bump:1.24849 Ang L17.CG and Y48.CE2 other bump:1.75262 Ang L17.CD1 and Y48.CE2 other bump:2.10936 Ang L17.CD2 and Y48.CE2 other bump:3.15501 Ang L17.C and Y48.CE2 other bump:2.81543 Ang L17.CG and Y48.CE1 other bump:2.59558 Ang L17.CD1 and Y48.CE1 other bump:2.34783 Ang L17.CD2 and Y48.CE1 other bump:2.9765 Ang V18.C and Y48.CD2 other bump:2.60529 Ang L17.CG and Y48.CD2 other bump:2.54109 Ang L17.CD1 and Y48.CD2 other bump:2.98284 Ang V18.CB and V45.CG1 other bump:1.70992 Ang V18.CG2 and V45.CG1 other bump:2.2347 Ang L12.CD2 and V43.CG1 other bump:3.1748 Ang L12.CB and K41.C other bump:2.49848 Ang L12.CG and K41.C other bump:1.68747 Ang L12.CD1 and K41.C other bump:2.60664 Ang L12.CD2 and K41.C other bump:2.09689 Ang L12.CB and K41.O other bump:1.76208 Ang L12.CG and K41.O other bump:1.75824 Ang L12.CD1 and K41.O other bump:1.90323 Ang L12.CD2 and K41.O other bump:2.0818 Ang L12.CD1 and K41.CB other bump:2.73643 Ang L12.CG and K41.CA other bump:1.33547 Ang L12.CD1 and K41.CA other bump:2.13282 Ang L12.CG and K41.N other bump:1.17812 Ang L12.CD1 and K41.N other bump:2.96296 Ang L12.CD2 and K41.N other bump:3.22838 Ang L12.CG and R40.C other bump:2.50543 Ang L12.CD1 and R40.C other bump:2.73089 Ang L10.CB and R40.NH2 other bump:2.89966 Ang V34.CG1 and R40.CD other bump:3.14689 Ang V34.CG1 and R40.CG other bump:2.88717 Ang V34.CB and I39.CD1 other bump:2.2682 Ang V34.CG1 and I39.CD1 other bump:2.19841 Ang V34.CG1 and I39.CG1 other bump:2.57186 Ang A28.O and Y32.CD1 other bump:2.22415 Ang T6.CG2 and M27.CE other bump:2.87709 Ang T6.OG1 and M27.CE other bump:2.41656 Ang V3.O and M27.CE other bump:1.78461 Ang T6.CB and M27.CE other bump:2.88304 Ang T6.CA and M27.CE other bump:3.00813 Ang V3.CG1 and M27.CB other bump:2.50038 Ang V3.CG1 and M27.CA other bump:2.39952 Ang V3.CG1 and M27.N other bump:2.81892 Ang V3.CG1 and R26.C other bump:2.37878 Ang G21.O and W25.CD1 other bump:2.46421 Ang V3.CG2 and A23.O other bump:2.64843 Ang N11.CB and R14.NH2 other bump:0.97944 Ang N11.OD1 and R14.NH2 other bump:1.66658 Ang N11.CG and R14.NH2 other bump:2.56884 Ang N11.ND2 and R14.NH2 other bump:2.90782 Ang N11.N and R14.CZ other bump:2.76299 Ang N11.CB and R14.CZ other bump:2.07674 Ang N11.OD1 and R14.CZ other bump:2.49474 Ang N11.CG and R14.CZ other bump:2.53361 Ang N11.CA and R14.NE other bump:1.92554 Ang N11.N and R14.NE other bump:2.33192 Ang N11.CB and R14.NE other bump:2.73827 Ang N11.CG and R14.NE other bump:3.31544 Ang N11.CA and R14.CD other bump:2.5563 Ang N11.N and R14.CD neighbor-bump: 2.4039 Ang L12.CB and D13.N self-bump: 2.18975 Ang L12.CB and L12.C self-bump: 1.28154 Ang L12.CA and L12.CB T0187 77 :EGPIDDFEIYEAGHPVPD 1lk5A 74 :LDQVDAIDVAVDGADEVD Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 95 :ENTIKTTRRVLELVD 1lk5A 100 :RGAALTMEKIIEYRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 115 :DTVLFLLS 1lk5A 115 :GTFIVLVD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.10367 Ang F6.CE1 and L8.CD2 other bump:2.26496 Ang F6.CZ and L8.CD2 other bump:1.43176 Ang F6.CE1 and L8.CD1 other bump:2.31974 Ang F6.CZ and L8.CD1 other bump:2.47416 Ang F6.CD1 and L8.CD1 other bump:1.64771 Ang F6.CE1 and L8.CG other bump:2.46238 Ang F6.CD1 and L8.CG self-bump: 1.37797 Ang D2.CA and D2.CB T0187 125 :GSSLFELPLEGVSL 1lk5A 123 :ERKLVDYLCQKMPV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=592 Number of alignments=109 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSY Fragment has 81 clashes (null) has 81 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues self-bump: 1.3988 Ang H52.CA and H52.CB other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=593 Number of alignments=110 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 82 clashes (null) has 82 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.93148 Ang W27.CZ2 and S53.O other bump:2.46359 Ang W27.CH2 and S53.O other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=594 Number of alignments=111 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKLAIE 1lk5A 2 :NVEEMKKIAAK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 30 :ETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 13 :EALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 70 clashes (null) has 70 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.93148 Ang W22.CZ2 and S48.O other bump:2.46359 Ang W22.CH2 and S48.O other bump:2.53308 Ang L14.CB and Y45.OH other bump:1.64466 Ang L14.CG and Y45.OH other bump:2.33503 Ang L14.CD1 and Y45.OH other bump:0.638222 Ang L14.CD2 and Y45.OH other bump:2.94336 Ang L14.CB and Y45.CZ other bump:1.47213 Ang L14.CG and Y45.CZ other bump:1.79385 Ang L14.CD1 and Y45.CZ other bump:1.24398 Ang L14.CD2 and Y45.CZ other bump:3.24322 Ang L14.CA and Y45.CE2 other bump:2.62184 Ang L14.CB and Y45.CE2 other bump:1.24849 Ang L14.CG and Y45.CE2 other bump:1.75262 Ang L14.CD1 and Y45.CE2 other bump:2.10936 Ang L14.CD2 and Y45.CE2 other bump:3.15501 Ang L14.C and Y45.CE2 other bump:2.81543 Ang L14.CG and Y45.CE1 other bump:2.59558 Ang L14.CD1 and Y45.CE1 other bump:2.34783 Ang L14.CD2 and Y45.CE1 other bump:2.9765 Ang V15.C and Y45.CD2 other bump:2.60529 Ang L14.CG and Y45.CD2 other bump:2.54109 Ang L14.CD1 and Y45.CD2 other bump:2.98284 Ang V15.CB and V42.CG1 other bump:1.70992 Ang V15.CG2 and V42.CG1 other bump:2.2347 Ang L9.CD2 and V40.CG1 other bump:3.1748 Ang L9.CB and K38.C other bump:2.49848 Ang L9.CG and K38.C other bump:1.68747 Ang L9.CD1 and K38.C other bump:2.60664 Ang L9.CD2 and K38.C other bump:2.09689 Ang L9.CB and K38.O other bump:1.76208 Ang L9.CG and K38.O other bump:1.75824 Ang L9.CD1 and K38.O other bump:1.90323 Ang L9.CD2 and K38.O other bump:2.0818 Ang L9.CD1 and K38.CB other bump:2.73643 Ang L9.CG and K38.CA other bump:1.33547 Ang L9.CD1 and K38.CA other bump:2.13282 Ang L9.CG and K38.N other bump:1.17812 Ang L9.CD1 and K38.N other bump:2.96296 Ang L9.CD2 and K38.N other bump:3.22838 Ang L9.CG and R37.C other bump:2.50543 Ang L9.CD1 and R37.C other bump:2.73089 Ang L7.CB and R37.NH2 other bump:2.89966 Ang V31.CG1 and R37.CD other bump:3.14689 Ang V31.CG1 and R37.CG other bump:2.88717 Ang V31.CB and I36.CD1 other bump:2.2682 Ang V31.CG1 and I36.CD1 other bump:2.19841 Ang V31.CG1 and I36.CG1 other bump:2.57186 Ang A25.O and Y29.CD1 other bump:2.22415 Ang T3.CG2 and M24.CE other bump:2.87709 Ang T3.OG1 and M24.CE other bump:1.78461 Ang T3.CB and M24.CE other bump:2.88304 Ang T3.CA and M24.CE other bump:2.37878 Ang G18.O and W22.CD1 other bump:2.64843 Ang N8.CB and R11.NH2 other bump:0.97944 Ang N8.OD1 and R11.NH2 other bump:1.66658 Ang N8.CG and R11.NH2 other bump:2.56884 Ang N8.ND2 and R11.NH2 other bump:2.90782 Ang N8.N and R11.CZ other bump:2.76299 Ang N8.CB and R11.CZ other bump:2.07674 Ang N8.OD1 and R11.CZ other bump:2.49474 Ang N8.CG and R11.CZ other bump:2.53361 Ang N8.CA and R11.NE other bump:1.92554 Ang N8.N and R11.NE other bump:2.33192 Ang N8.CB and R11.NE other bump:2.73827 Ang N8.CG and R11.NE other bump:3.31544 Ang N8.CA and R11.CD other bump:2.5563 Ang N8.N and R11.CD neighbor-bump: 2.4039 Ang L9.CB and D10.N self-bump: 2.18975 Ang L9.CB and L9.C self-bump: 1.28154 Ang L9.CA and L9.CB T0187 77 :EGPIDDFEIYEAGHPVPDEN 1lk5A 74 :LDQVDAIDVAVDGADEVDPN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 97 :TIKTTRRVLELVDQ 1lk5A 102 :AALTMEKIIEYRAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80181 Ang E11.CA and D14.OD2 T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVSL 1lk5A 123 :ERKLVDYLCQKMPV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=601 Number of alignments=112 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 3 :DPESLKKL 1lk5A 2 :NVEEMKKI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.7802 Ang D2.CB and P3.CD T0187 27 :AVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1lk5A 10 :AAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSYQ Fragment has 76 clashes (null) has 76 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.93148 Ang W25.CZ2 and S51.O other bump:2.46359 Ang W25.CH2 and S51.O other bump:2.53308 Ang L17.CB and Y48.OH other bump:1.64466 Ang L17.CG and Y48.OH other bump:2.33503 Ang L17.CD1 and Y48.OH other bump:0.638222 Ang L17.CD2 and Y48.OH other bump:2.94336 Ang L17.CB and Y48.CZ other bump:1.47213 Ang L17.CG and Y48.CZ other bump:1.79385 Ang L17.CD1 and Y48.CZ other bump:1.24398 Ang L17.CD2 and Y48.CZ other bump:3.24322 Ang L17.CA and Y48.CE2 other bump:2.62184 Ang L17.CB and Y48.CE2 other bump:1.24849 Ang L17.CG and Y48.CE2 other bump:1.75262 Ang L17.CD1 and Y48.CE2 other bump:2.10936 Ang L17.CD2 and Y48.CE2 other bump:3.15501 Ang L17.C and Y48.CE2 other bump:2.81543 Ang L17.CG and Y48.CE1 other bump:2.59558 Ang L17.CD1 and Y48.CE1 other bump:2.34783 Ang L17.CD2 and Y48.CE1 other bump:2.9765 Ang V18.C and Y48.CD2 other bump:2.60529 Ang L17.CG and Y48.CD2 other bump:2.54109 Ang L17.CD1 and Y48.CD2 other bump:2.98284 Ang V18.CB and V45.CG1 other bump:1.70992 Ang V18.CG2 and V45.CG1 other bump:2.2347 Ang L12.CD2 and V43.CG1 other bump:3.1748 Ang L12.CB and K41.C other bump:2.49848 Ang L12.CG and K41.C other bump:1.68747 Ang L12.CD1 and K41.C other bump:2.60664 Ang L12.CD2 and K41.C other bump:2.09689 Ang L12.CB and K41.O other bump:1.76208 Ang L12.CG and K41.O other bump:1.75824 Ang L12.CD1 and K41.O other bump:1.90323 Ang L12.CD2 and K41.O other bump:2.0818 Ang L12.CD1 and K41.CB other bump:2.73643 Ang L12.CG and K41.CA other bump:1.33547 Ang L12.CD1 and K41.CA other bump:2.13282 Ang L12.CG and K41.N other bump:1.17812 Ang L12.CD1 and K41.N other bump:2.96296 Ang L12.CD2 and K41.N other bump:3.22838 Ang L12.CG and R40.C other bump:2.50543 Ang L12.CD1 and R40.C other bump:2.73089 Ang L10.CB and R40.NH2 other bump:2.89966 Ang V34.CG1 and R40.CD other bump:3.14689 Ang V34.CG1 and R40.CG other bump:2.88717 Ang V34.CB and I39.CD1 other bump:2.2682 Ang V34.CG1 and I39.CD1 other bump:2.19841 Ang V34.CG1 and I39.CG1 other bump:2.57186 Ang A28.O and Y32.CD1 other bump:2.22415 Ang T6.CG2 and M27.CE other bump:2.87709 Ang T6.OG1 and M27.CE other bump:2.41656 Ang V3.O and M27.CE other bump:1.78461 Ang T6.CB and M27.CE other bump:2.88304 Ang T6.CA and M27.CE other bump:3.00813 Ang V3.CG1 and M27.CB other bump:2.50038 Ang V3.CG1 and M27.CA other bump:2.39952 Ang V3.CG1 and M27.N other bump:2.81892 Ang V3.CG1 and R26.C other bump:2.37878 Ang G21.O and W25.CD1 other bump:2.46421 Ang V3.CG2 and A23.O other bump:2.64843 Ang N11.CB and R14.NH2 other bump:0.97944 Ang N11.OD1 and R14.NH2 other bump:1.66658 Ang N11.CG and R14.NH2 other bump:2.56884 Ang N11.ND2 and R14.NH2 other bump:2.90782 Ang N11.N and R14.CZ other bump:2.76299 Ang N11.CB and R14.CZ other bump:2.07674 Ang N11.OD1 and R14.CZ other bump:2.49474 Ang N11.CG and R14.CZ other bump:2.53361 Ang N11.CA and R14.NE other bump:1.92554 Ang N11.N and R14.NE other bump:2.33192 Ang N11.CB and R14.NE other bump:2.73827 Ang N11.CG and R14.NE other bump:3.31544 Ang N11.CA and R14.CD other bump:2.5563 Ang N11.N and R14.CD neighbor-bump: 2.4039 Ang L12.CB and D13.N self-bump: 2.18975 Ang L12.CB and L12.C self-bump: 1.28154 Ang L12.CA and L12.CB T0187 77 :EGPIDDFEIYEAGHPVPDEN 1lk5A 74 :LDQVDAIDVAVDGADEVDPN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 1.97209 Ang V17.C and P18.CD neighbor-bump: 2.75225 Ang V17.C and P18.CG other bump:2.32024 Ang F8.CB and Y11.OH other bump:1.40371 Ang F8.CG and Y11.OH other bump:1.87803 Ang F8.CD1 and Y11.OH other bump:1.83171 Ang F8.CD2 and Y11.OH other bump:2.55578 Ang F8.CE1 and Y11.OH other bump:2.52106 Ang F8.CE2 and Y11.OH other bump:2.83019 Ang F8.CZ and Y11.OH other bump:2.54944 Ang F8.CB and Y11.CZ other bump:2.37454 Ang F8.CG and Y11.CZ other bump:2.61077 Ang F8.CD1 and Y11.CZ other bump:2.23134 Ang F8.CB and Y11.CE1 other bump:2.87296 Ang F8.CG and Y11.CE1 other bump:3.0515 Ang E2.CG and F8.CZ other bump:2.87737 Ang E2.CG and F8.CE2 other bump:2.53274 Ang I5.CG2 and D7.O neighbor-bump: 2.75055 Ang I5.CG2 and D6.N T0187 97 :TIKTTRRVLEL 1lk5A 102 :AALTMEKIIEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 113 :ENDTVLFLLS 1lk5A 113 :RAGTFIVLVD Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.10367 Ang F8.CE1 and L10.CD2 other bump:2.26496 Ang F8.CZ and L10.CD2 other bump:1.43176 Ang F8.CE1 and L10.CD1 other bump:2.31974 Ang F8.CZ and L10.CD1 other bump:2.47416 Ang F8.CD1 and L10.CD1 other bump:1.64771 Ang F8.CE1 and L10.CG other bump:2.46238 Ang F8.CD1 and L10.CG other bump:2.86142 Ang N3.CG and T5.C other bump:2.39537 Ang N3.OD1 and T5.C other bump:2.43991 Ang N3.CG and T5.O other bump:2.30645 Ang N3.ND2 and T5.O other bump:2.12092 Ang N3.OD1 and T5.O other bump:2.74454 Ang N3.OD1 and T5.CA other bump:2.11361 Ang N3.OD1 and T5.N T0187 125 :GSSLFELPLEGVS 1lk5A 123 :ERKLVDYLCQKMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 139 :EEIQKLTSALL 1lk5A 143 :QAWKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 7 total=608 Number of alignments=113 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 1 :MF 1lk5A 1 :MN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 7 :LKKLAIEIVKKSIEA 1lk5A 3 :VEEMKKIAAKEALKF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9824 Ang K12.CD and E15.CD T0187 35 :LNLDRVILVAVGKAAWRMAKAAYEVL 1lk5A 18 :IEDDMVIGLGTGSTTAYFIKLLGEKL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.57186 Ang A20.O and Y24.CD1 other bump:2.37878 Ang G13.O and W17.CD1 other bump:2.64843 Ang N3.CB and R6.NH2 other bump:1.66658 Ang N3.CG and R6.NH2 other bump:2.56884 Ang N3.ND2 and R6.NH2 other bump:0.97944 Ang N3.OD1 and R6.NH2 other bump:2.90782 Ang N3.N and R6.CZ other bump:2.76299 Ang N3.CB and R6.CZ other bump:2.49474 Ang N3.CG and R6.CZ other bump:2.07674 Ang N3.OD1 and R6.CZ other bump:1.92554 Ang N3.N and R6.NE other bump:2.53361 Ang N3.CA and R6.NE other bump:2.33193 Ang N3.CB and R6.NE other bump:2.73827 Ang N3.CG and R6.NE other bump:2.5563 Ang N3.N and R6.CD other bump:3.31544 Ang N3.CA and R6.CD neighbor-bump: 2.40389 Ang L4.CB and D5.N self-bump: 2.18975 Ang L4.CB and L4.C self-bump: 1.28154 Ang L4.CA and L4.CB T0187 61 :GKKIRKGVVVTK 1lk5A 45 :RGEISDIVGVPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 73 :YGHSEGPIDDF 1lk5A 67 :HDIPIASLDQV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.74519 Ang I9.CB and F12.CZ other bump:2.64588 Ang I9.CA and F12.CZ other bump:2.29326 Ang I9.CG1 and F12.CZ other bump:1.28276 Ang I9.CD1 and F12.CZ other bump:3.08655 Ang I9.N and F12.CE2 other bump:3.10607 Ang I9.CB and F12.CE2 other bump:2.38863 Ang I9.CA and F12.CE2 other bump:2.60545 Ang I9.CD1 and F12.CE2 other bump:2.77589 Ang I9.CG1 and F12.CE1 other bump:1.60892 Ang I9.CD1 and F12.CE1 other bump:3.2198 Ang I9.CA and F12.CD2 other bump:2.53624 Ang P8.CG and D11.OD2 other bump:2.03151 Ang P8.CD and D11.OD2 T0187 84 :EIY 1lk5A 79 :AID Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.36014 Ang E2.OE1 and Y4.CZ other bump:2.63608 Ang E2.OE1 and Y4.CE2 other bump:2.36129 Ang E2.OE1 and Y4.CE1 other bump:2.62597 Ang E2.OE1 and Y4.CD1 T0187 87 :EAGH 1lk5A 85 :DGAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 91 :PVP 1lk5A 101 :GAA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.20864 Ang P2.O and P4.CD neighbor-bump: 2.01225 Ang V3.N and P4.CD neighbor-bump: 2.11902 Ang V3.CA and P4.CD neighbor-bump: 1.72596 Ang V3.C and P4.CD self-bump: 1.27957 Ang P4.N and P4.CD other bump:2.12972 Ang P2.C and P4.CD other bump:2.49972 Ang P2.O and P4.CG self-bump: 2.13925 Ang P4.N and P4.CG other bump:2.92849 Ang P2.C and P4.CG neighbor-bump: 2.60413 Ang P2.C and V3.CB neighbor-bump: 2.03848 Ang G1.C and P2.CD self-bump: 1.30712 Ang P2.N and P2.CD self-bump: 2.16744 Ang P2.N and P2.CG T0187 99 :KTTRRVLEL 1lk5A 104 :LTMEKIIEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 114 :ND 1lk5A 113 :RA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVS 1lk5A 123 :ERKLVDYLCQKMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 141 :IQKLTSALL 1lk5A 145 :WKAIIEELS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 13 total=621 Number of alignments=114 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 1 :MF 1lk5A 1 :MN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 7 :LKKLAIEIVKKSIEA 1lk5A 3 :VEEMKKIAAKEALKF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9824 Ang K12.CD and E15.CD T0187 35 :LNLDRVILVAVGKAAWRMAKAA 1lk5A 18 :IEDDMVIGLGTGSTTAYFIKLL Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.37878 Ang G13.O and W17.CD1 other bump:2.64843 Ang N3.CB and R6.NH2 other bump:1.66658 Ang N3.CG and R6.NH2 other bump:2.56884 Ang N3.ND2 and R6.NH2 other bump:0.97944 Ang N3.OD1 and R6.NH2 other bump:2.90782 Ang N3.N and R6.CZ other bump:2.76299 Ang N3.CB and R6.CZ other bump:2.49474 Ang N3.CG and R6.CZ other bump:2.07674 Ang N3.OD1 and R6.CZ other bump:1.92554 Ang N3.N and R6.NE other bump:2.53361 Ang N3.CA and R6.NE other bump:2.33193 Ang N3.CB and R6.NE other bump:2.73827 Ang N3.CG and R6.NE other bump:2.5563 Ang N3.N and R6.CD other bump:3.31544 Ang N3.CA and R6.CD neighbor-bump: 2.40389 Ang L4.CB and D5.N self-bump: 2.18975 Ang L4.CB and L4.C self-bump: 1.28154 Ang L4.CA and L4.CB T0187 57 :YEVLGKKIRKGVVVTK 1lk5A 41 :EKLKRGEISDIVGVPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 73 :YGHSEGPIDDF 1lk5A 67 :HDIPIASLDQV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.74519 Ang I9.CB and F12.CZ other bump:2.64588 Ang I9.CA and F12.CZ other bump:2.29326 Ang I9.CG1 and F12.CZ other bump:1.28276 Ang I9.CD1 and F12.CZ other bump:3.08655 Ang I9.N and F12.CE2 other bump:3.10607 Ang I9.CB and F12.CE2 other bump:2.38863 Ang I9.CA and F12.CE2 other bump:2.60545 Ang I9.CD1 and F12.CE2 other bump:2.77589 Ang I9.CG1 and F12.CE1 other bump:1.60892 Ang I9.CD1 and F12.CE1 other bump:3.2198 Ang I9.CA and F12.CD2 other bump:2.53624 Ang P8.CG and D11.OD2 other bump:2.03151 Ang P8.CD and D11.OD2 T0187 85 :IY 1lk5A 80 :ID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 87 :EAGH 1lk5A 85 :DGAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 93 :PD 1lk5A 94 :LN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues self-bump: 2.19324 Ang P2.CA and P2.CD neighbor-bump: 1.80164 Ang G1.O and P2.CD neighbor-bump: 1.43308 Ang G1.C and P2.CD neighbor-bump: 2.79448 Ang G1.C and P2.CG T0187 99 :KTTRRVLEL 1lk5A 104 :LTMEKIIEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 114 :ND 1lk5A 113 :RA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 116 :TVLFLLS 1lk5A 116 :TFIVLVD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.10367 Ang F5.CE1 and L7.CD2 other bump:2.26496 Ang F5.CZ and L7.CD2 other bump:1.43176 Ang F5.CE1 and L7.CD1 other bump:2.31974 Ang F5.CZ and L7.CD1 other bump:2.47416 Ang F5.CD1 and L7.CD1 other bump:1.64771 Ang F5.CE1 and L7.CG other bump:2.46238 Ang F5.CD1 and L7.CG T0187 125 :GSSLFELPLEGVS 1lk5A 123 :ERKLVDYLCQKMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.60363 Ang P9.C and L10.CB other bump:2.6315 Ang S4.O and F6.CD1 T0187 141 :IQKLTSAL 1lk5A 145 :WKAIIEEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 13 total=634 Number of alignments=115 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTS Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=635 Number of alignments=116 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSY Fragment has 81 clashes (null) has 81 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues self-bump: 1.3988 Ang H52.CA and H52.CB other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=636 Number of alignments=117 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTS Fragment has 80 clashes (null) has 80 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=637 Number of alignments=118 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 25 :DRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1lk5A 8 :KIAAKEALKFIEDDMVIGLGTGSTTAYFIKLLGEKLKRGEISDIVGVPTSY Fragment has 81 clashes (null) has 81 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues self-bump: 1.3988 Ang H52.CA and H52.CB other bump:2.53308 Ang L19.CB and Y50.OH other bump:1.64466 Ang L19.CG and Y50.OH other bump:2.33503 Ang L19.CD1 and Y50.OH other bump:0.638222 Ang L19.CD2 and Y50.OH other bump:2.94336 Ang L19.CB and Y50.CZ other bump:1.47213 Ang L19.CG and Y50.CZ other bump:1.79385 Ang L19.CD1 and Y50.CZ other bump:1.24398 Ang L19.CD2 and Y50.CZ other bump:2.62184 Ang L19.CB and Y50.CE2 other bump:1.24849 Ang L19.CG and Y50.CE2 other bump:1.75262 Ang L19.CD1 and Y50.CE2 other bump:2.10936 Ang L19.CD2 and Y50.CE2 other bump:3.24322 Ang L19.CA and Y50.CE2 other bump:3.15501 Ang L19.C and Y50.CE2 other bump:2.81543 Ang L19.CG and Y50.CE1 other bump:2.59558 Ang L19.CD1 and Y50.CE1 other bump:2.34783 Ang L19.CD2 and Y50.CE1 other bump:2.9765 Ang V20.C and Y50.CD2 other bump:2.60529 Ang L19.CG and Y50.CD2 other bump:2.54109 Ang L19.CD1 and Y50.CD2 other bump:2.98284 Ang V20.CB and V47.CG1 other bump:1.70992 Ang V20.CG2 and V47.CG1 other bump:2.2347 Ang L14.CD2 and V45.CG1 other bump:3.1748 Ang L14.CB and K43.C other bump:2.49848 Ang L14.CG and K43.C other bump:1.68747 Ang L14.CD1 and K43.C other bump:2.60664 Ang L14.CD2 and K43.C other bump:2.09689 Ang L14.CB and K43.O other bump:1.76208 Ang L14.CG and K43.O other bump:1.75824 Ang L14.CD1 and K43.O other bump:1.90323 Ang L14.CD2 and K43.O other bump:2.0818 Ang L14.CD1 and K43.CB other bump:2.73643 Ang L14.CG and K43.CA other bump:1.33547 Ang L14.CD1 and K43.CA other bump:2.13282 Ang L14.CG and K43.N other bump:1.17812 Ang L14.CD1 and K43.N other bump:2.96296 Ang L14.CD2 and K43.N other bump:3.22838 Ang L14.CG and R42.C other bump:2.50543 Ang L14.CD1 and R42.C other bump:2.73089 Ang L12.CB and R42.NH2 other bump:2.89966 Ang V36.CG1 and R42.CD other bump:3.14689 Ang V36.CG1 and R42.CG other bump:2.88717 Ang V36.CB and I41.CD1 other bump:2.2682 Ang V36.CG1 and I41.CD1 other bump:2.19841 Ang V36.CG1 and I41.CG1 other bump:2.57186 Ang A30.O and Y34.CD1 other bump:2.22415 Ang T8.CG2 and M29.CE other bump:2.41656 Ang V5.O and M29.CE other bump:1.78461 Ang T8.CB and M29.CE other bump:2.87709 Ang T8.OG1 and M29.CE other bump:2.88304 Ang T8.CA and M29.CE other bump:3.00813 Ang V5.CG1 and M29.CB other bump:2.50038 Ang V5.CG1 and M29.CA other bump:2.39952 Ang V5.CG1 and M29.N other bump:2.81892 Ang V5.CG1 and R28.C other bump:2.18342 Ang D2.OD1 and R28.CZ other bump:2.93601 Ang D2.CG and R28.CZ other bump:1.53305 Ang D2.OD1 and R28.NE other bump:2.57521 Ang D2.CG and R28.NE other bump:1.47557 Ang D2.OD1 and R28.CD other bump:2.69929 Ang D2.CG and R28.CD other bump:2.37878 Ang G23.O and W27.CD1 other bump:2.46421 Ang V5.CG2 and A25.O other bump:2.64843 Ang N13.CB and R16.NH2 other bump:0.97944 Ang N13.OD1 and R16.NH2 other bump:1.66658 Ang N13.CG and R16.NH2 other bump:2.56884 Ang N13.ND2 and R16.NH2 other bump:2.90782 Ang N13.N and R16.CZ other bump:2.76299 Ang N13.CB and R16.CZ other bump:2.07674 Ang N13.OD1 and R16.CZ other bump:2.49474 Ang N13.CG and R16.CZ other bump:2.53361 Ang N13.CA and R16.NE other bump:1.92554 Ang N13.N and R16.NE other bump:2.33192 Ang N13.CB and R16.NE other bump:2.73827 Ang N13.CG and R16.NE other bump:3.31544 Ang N13.CA and R16.CD other bump:2.5563 Ang N13.N and R16.CD neighbor-bump: 2.4039 Ang L14.CB and D15.N self-bump: 2.18975 Ang L14.CB and L14.C self-bump: 1.28154 Ang L14.CA and L14.CB Number of specific fragments= 1 total=638 Number of alignments=119 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-local-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-local-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 41 :ILVAVGKAAWR 1lk5A 22 :MVIGLGTGSTT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.96378 Ang W11.NE1 and R12.NH1 neighbor-bump: 2.24662 Ang K8.O and A9.CB neighbor-bump: 2.65428 Ang K8.C and A9.CB other bump:3.12608 Ang I2.CG1 and V4.CG1 other bump:2.70564 Ang I2.CD1 and V4.CG1 T0187 54 :KAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTTRRVLELVDQLNEN 1lk5A 33 :AYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPN Fragment has 79 clashes (null) has 79 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 63 residues other bump:2.9745 Ang V56.CG1 and Q58.C other bump:2.39821 Ang V56.CG1 and Q58.O other bump:3.0497 Ang A4.CB and L53.CD2 self-bump: 1.39644 Ang R50.CA and R50.CB other bump:2.54391 Ang I46.CG2 and T48.O other bump:2.08254 Ang D42.O and T45.OG1 other bump:2.81948 Ang D42.OD2 and T45.CG2 other bump:2.44476 Ang D42.CG and N44.OD1 other bump:1.91005 Ang D42.OD2 and N44.OD1 other bump:2.74036 Ang D42.OD2 and N44.CG other bump:2.54418 Ang H23.NE2 and E43.CA other bump:3.11162 Ang H23.ND1 and E43.CA other bump:2.14111 Ang H23.CE1 and E43.CA other bump:1.86311 Ang H23.NE2 and E43.N other bump:2.6561 Ang H23.ND1 and E43.N other bump:1.37001 Ang H23.CE1 and E43.N other bump:2.62915 Ang H23.NE2 and D42.C other bump:2.49574 Ang H23.ND1 and D42.C other bump:1.5944 Ang H23.CE1 and D42.C other bump:2.32277 Ang H23.CE1 and D42.O other bump:3.08965 Ang H23.ND1 and D42.CA other bump:2.42661 Ang H23.CE1 and D42.CA other bump:2.02063 Ang Y21.OH and P41.C other bump:3.04043 Ang Y21.CZ and P41.C other bump:2.31853 Ang Y21.OH and P41.CD other bump:2.49365 Ang G22.O and P41.CD neighbor-bump: 2.43782 Ang V40.CA and P41.CD neighbor-bump: 1.82572 Ang V40.C and P41.CD other bump:2.68266 Ang Y21.CG and P41.CD other bump:2.46614 Ang Y21.CD1 and P41.CD other bump:2.35382 Ang Y21.CD2 and P41.CD other bump:1.89313 Ang Y21.CE1 and P41.CD other bump:1.74757 Ang Y21.CE2 and P41.CD other bump:1.443 Ang Y21.CZ and P41.CD other bump:1.77641 Ang Y21.OH and P41.CG other bump:2.58544 Ang Y21.CG and P41.CG other bump:1.90212 Ang Y21.CD1 and P41.CG other bump:2.53051 Ang Y21.CD2 and P41.CG other bump:0.734868 Ang Y21.CE1 and P41.CG other bump:1.83294 Ang Y21.CE2 and P41.CG other bump:0.657138 Ang Y21.CZ and P41.CG other bump:0.618089 Ang Y21.OH and P41.CB other bump:2.14627 Ang Y21.CE1 and P41.CB other bump:2.09517 Ang Y21.CE2 and P41.CB other bump:1.09923 Ang Y21.CZ and P41.CB other bump:0.864336 Ang Y21.OH and P41.CA other bump:2.89593 Ang Y21.CE1 and P41.CA other bump:2.87964 Ang Y21.CE2 and P41.CA other bump:1.97214 Ang Y21.CZ and P41.CA other bump:1.92789 Ang Y21.OH and P41.N other bump:2.86115 Ang Y21.CE1 and P41.N other bump:2.64103 Ang Y21.CE2 and P41.N other bump:2.09063 Ang Y21.CZ and P41.N other bump:2.45017 Ang Y21.CE2 and V40.C other bump:2.63366 Ang Y21.CZ and V40.C other bump:2.4301 Ang Y21.CE2 and V40.O other bump:2.94246 Ang Y34.CZ and V40.CG1 other bump:2.79283 Ang Y34.OH and V40.CG1 other bump:1.73326 Ang G9.CA and H38.NE2 other bump:2.28353 Ang G9.N and H38.NE2 other bump:1.90365 Ang G9.CA and H38.CE1 other bump:3.07339 Ang G9.C and H38.CE1 other bump:2.49561 Ang G9.N and H38.CE1 other bump:2.9949 Ang L8.C and H38.CE1 other bump:2.76082 Ang I12.CD1 and H38.CE1 other bump:3.20326 Ang G9.CA and H38.ND1 other bump:2.38752 Ang I12.CD1 and H38.ND1 other bump:3.09015 Ang G9.CA and H38.CD2 other bump:2.39173 Ang D30.OD1 and Y34.CE1 other bump:2.61122 Ang D30.CG and Y34.CE1 other bump:2.40539 Ang D30.OD2 and Y34.CE1 other bump:2.61199 Ang D30.O and Y34.CD1 other bump:2.5429 Ang S24.OG and D30.N other bump:2.9056 Ang Y5.CE2 and D29.OD1 other bump:2.58644 Ang S24.OG and D29.CB other bump:2.93369 Ang L8.CG and K20.CE other bump:1.96025 Ang L8.CD2 and K20.CE other bump:3.00902 Ang K11.CG and V16.CG1 other bump:2.66174 Ang K11.CE and V16.CG1 T0187 118 :LFLLSGGGSSL 1lk5A 94 :LNLIKGRGAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 3 total=641 Number of alignments=120 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-local-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-local-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 37 :LDRVILVAVGKAAWR 1lk5A 18 :IEDDMVIGLGTGSTT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.96378 Ang W15.NE1 and R16.NH1 neighbor-bump: 2.65428 Ang K12.C and A13.CB neighbor-bump: 2.24662 Ang K12.O and A13.CB neighbor-bump: 2.58769 Ang R4.C and V5.CB T0187 54 :KAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTT 1lk5A 33 :AYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAI Fragment has 75 clashes (null) has 75 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.54391 Ang I46.CG2 and T48.O other bump:2.08254 Ang D42.O and T45.OG1 other bump:2.81948 Ang D42.OD2 and T45.CG2 other bump:2.44476 Ang D42.CG and N44.OD1 other bump:1.91005 Ang D42.OD2 and N44.OD1 other bump:2.74036 Ang D42.OD2 and N44.CG other bump:3.11162 Ang H23.ND1 and E43.CA other bump:2.14111 Ang H23.CE1 and E43.CA other bump:2.54418 Ang H23.NE2 and E43.CA other bump:2.6561 Ang H23.ND1 and E43.N other bump:1.37001 Ang H23.CE1 and E43.N other bump:1.86311 Ang H23.NE2 and E43.N other bump:2.49574 Ang H23.ND1 and D42.C other bump:1.5944 Ang H23.CE1 and D42.C other bump:2.62915 Ang H23.NE2 and D42.C other bump:2.32277 Ang H23.CE1 and D42.O other bump:3.08965 Ang H23.ND1 and D42.CA other bump:2.42661 Ang H23.CE1 and D42.CA other bump:2.02063 Ang Y21.OH and P41.C other bump:3.04043 Ang Y21.CZ and P41.C other bump:2.31853 Ang Y21.OH and P41.CD other bump:2.49365 Ang G22.O and P41.CD neighbor-bump: 2.43782 Ang V40.CA and P41.CD other bump:2.68266 Ang Y21.CG and P41.CD other bump:2.46614 Ang Y21.CD1 and P41.CD other bump:2.35382 Ang Y21.CD2 and P41.CD other bump:1.89313 Ang Y21.CE1 and P41.CD other bump:1.74757 Ang Y21.CE2 and P41.CD other bump:1.443 Ang Y21.CZ and P41.CD neighbor-bump: 1.82572 Ang V40.C and P41.CD other bump:1.77641 Ang Y21.OH and P41.CG other bump:2.58544 Ang Y21.CG and P41.CG other bump:1.90212 Ang Y21.CD1 and P41.CG other bump:2.53051 Ang Y21.CD2 and P41.CG other bump:0.734868 Ang Y21.CE1 and P41.CG other bump:1.83294 Ang Y21.CE2 and P41.CG other bump:0.657138 Ang Y21.CZ and P41.CG other bump:0.618089 Ang Y21.OH and P41.CB other bump:2.14627 Ang Y21.CE1 and P41.CB other bump:2.09517 Ang Y21.CE2 and P41.CB other bump:1.09923 Ang Y21.CZ and P41.CB other bump:0.864336 Ang Y21.OH and P41.CA other bump:2.89593 Ang Y21.CE1 and P41.CA other bump:2.87964 Ang Y21.CE2 and P41.CA other bump:1.97214 Ang Y21.CZ and P41.CA other bump:1.92789 Ang Y21.OH and P41.N other bump:2.86115 Ang Y21.CE1 and P41.N other bump:2.64103 Ang Y21.CE2 and P41.N other bump:2.09063 Ang Y21.CZ and P41.N other bump:2.45017 Ang Y21.CE2 and V40.C other bump:2.63366 Ang Y21.CZ and V40.C other bump:2.4301 Ang Y21.CE2 and V40.O other bump:2.94246 Ang Y34.CZ and V40.CG1 other bump:2.79283 Ang Y34.OH and V40.CG1 other bump:1.73326 Ang G9.CA and H38.NE2 other bump:2.28353 Ang G9.N and H38.NE2 other bump:1.90365 Ang G9.CA and H38.CE1 other bump:3.07339 Ang G9.C and H38.CE1 other bump:2.76082 Ang I12.CD1 and H38.CE1 other bump:2.9949 Ang L8.C and H38.CE1 other bump:2.49561 Ang G9.N and H38.CE1 other bump:3.20326 Ang G9.CA and H38.ND1 other bump:2.38752 Ang I12.CD1 and H38.ND1 other bump:3.09015 Ang G9.CA and H38.CD2 other bump:2.39173 Ang D30.OD1 and Y34.CE1 other bump:2.61122 Ang D30.CG and Y34.CE1 other bump:2.40539 Ang D30.OD2 and Y34.CE1 other bump:2.61199 Ang D30.O and Y34.CD1 other bump:2.5429 Ang S24.OG and D30.N other bump:2.9056 Ang Y5.CE2 and D29.OD1 other bump:2.58644 Ang S24.OG and D29.CB other bump:2.93369 Ang L8.CG and K20.CE other bump:1.96025 Ang L8.CD2 and K20.CE other bump:3.00902 Ang K11.CG and V16.CG1 other bump:2.66174 Ang K11.CE and V16.CG1 T0187 105 :LELVDQLNENDTVLFLLSGGGSSLFE 1lk5A 81 :DVAVDGADEVDPNLNLIKGRGAALTM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.61216 Ang E10.OE1 and L18.CD1 other bump:2.67085 Ang N11.OD1 and L17.CD2 other bump:2.73825 Ang L8.CD1 and L17.CD2 other bump:2.46068 Ang L8.CD2 and L17.CD1 other bump:3.056 Ang L8.CD2 and L17.CB other bump:2.18686 Ang V14.CG1 and F16.CE1 other bump:2.67057 Ang V14.CG1 and F16.CD1 other bump:2.00069 Ang L8.CD1 and N11.OD1 other bump:2.68041 Ang L8.CD1 and N11.CG Number of specific fragments= 3 total=644 Number of alignments=121 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-simpleSW-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 108 :VDQLNENDTVLFLLSGGGSSL 1lk5A 84 :VDGADEVDPNLNLIKGRGAAL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.61216 Ang E7.OE1 and L15.CD1 other bump:2.73825 Ang L5.CD1 and L14.CD2 other bump:2.67085 Ang N8.OD1 and L14.CD2 other bump:2.46068 Ang L5.CD2 and L14.CD1 other bump:3.056 Ang L5.CD2 and L14.CB other bump:2.18686 Ang V11.CG1 and F13.CE1 other bump:2.67057 Ang V11.CG1 and F13.CD1 other bump:2.00069 Ang L5.CD1 and N8.OD1 other bump:2.68041 Ang L5.CD1 and N8.CG Number of specific fragments= 1 total=645 Number of alignments=122 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-simpleSW-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 26 :RAVKETLPKLNLDRVILVAVGKAAWRM 1lk5A 9 :IAAKEALKFIEDDMVIGLGTGSTTAYF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.41655 Ang V4.O and M28.CE other bump:2.88304 Ang T7.CA and M28.CE other bump:1.78461 Ang T7.CB and M28.CE other bump:2.22416 Ang T7.CG2 and M28.CE other bump:2.87709 Ang T7.OG1 and M28.CE other bump:3.00812 Ang V4.CG1 and M28.CB other bump:2.50038 Ang V4.CG1 and M28.CA other bump:2.39952 Ang V4.CG1 and M28.N other bump:2.81892 Ang V4.CG1 and R27.C other bump:2.37878 Ang G22.O and W26.CD1 other bump:2.46421 Ang V4.CG2 and A24.O other bump:2.64843 Ang N12.CB and R15.NH2 other bump:1.66658 Ang N12.CG and R15.NH2 other bump:2.56884 Ang N12.ND2 and R15.NH2 other bump:0.97944 Ang N12.OD1 and R15.NH2 other bump:2.90782 Ang N12.N and R15.CZ other bump:2.76299 Ang N12.CB and R15.CZ other bump:2.49474 Ang N12.CG and R15.CZ other bump:2.07674 Ang N12.OD1 and R15.CZ other bump:1.92554 Ang N12.N and R15.NE other bump:2.53361 Ang N12.CA and R15.NE other bump:2.33192 Ang N12.CB and R15.NE other bump:2.73827 Ang N12.CG and R15.NE other bump:2.5563 Ang N12.N and R15.CD other bump:3.31544 Ang N12.CA and R15.CD neighbor-bump: 2.4039 Ang L13.CB and D14.N self-bump: 2.18975 Ang L13.CB and L13.C self-bump: 1.28154 Ang L13.CA and L13.CB T0187 57 :YEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKT 1lk5A 36 :IKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDA Fragment has 75 clashes (null) has 75 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.54391 Ang I43.CG2 and T45.O other bump:2.08254 Ang D39.O and T42.OG1 other bump:2.81948 Ang D39.OD2 and T42.CG2 other bump:2.44476 Ang D39.CG and N41.OD1 other bump:1.91005 Ang D39.OD2 and N41.OD1 other bump:2.74036 Ang D39.OD2 and N41.CG other bump:3.11162 Ang H20.ND1 and E40.CA other bump:2.14111 Ang H20.CE1 and E40.CA other bump:2.54418 Ang H20.NE2 and E40.CA other bump:2.6561 Ang H20.ND1 and E40.N other bump:1.37001 Ang H20.CE1 and E40.N other bump:1.86311 Ang H20.NE2 and E40.N other bump:2.49574 Ang H20.ND1 and D39.C other bump:1.5944 Ang H20.CE1 and D39.C other bump:2.62915 Ang H20.NE2 and D39.C other bump:2.32277 Ang H20.CE1 and D39.O other bump:3.08965 Ang H20.ND1 and D39.CA other bump:2.42661 Ang H20.CE1 and D39.CA other bump:2.02063 Ang Y18.OH and P38.C other bump:3.04043 Ang Y18.CZ and P38.C other bump:2.31853 Ang Y18.OH and P38.CD other bump:2.49365 Ang G19.O and P38.CD neighbor-bump: 2.43782 Ang V37.CA and P38.CD neighbor-bump: 1.82572 Ang V37.C and P38.CD other bump:2.68266 Ang Y18.CG and P38.CD other bump:2.46614 Ang Y18.CD1 and P38.CD other bump:2.35382 Ang Y18.CD2 and P38.CD other bump:1.89313 Ang Y18.CE1 and P38.CD other bump:1.74757 Ang Y18.CE2 and P38.CD other bump:1.443 Ang Y18.CZ and P38.CD other bump:1.77641 Ang Y18.OH and P38.CG other bump:2.58544 Ang Y18.CG and P38.CG other bump:1.90212 Ang Y18.CD1 and P38.CG other bump:2.53051 Ang Y18.CD2 and P38.CG other bump:0.734868 Ang Y18.CE1 and P38.CG other bump:1.83294 Ang Y18.CE2 and P38.CG other bump:0.657138 Ang Y18.CZ and P38.CG other bump:0.618089 Ang Y18.OH and P38.CB other bump:2.14627 Ang Y18.CE1 and P38.CB other bump:2.09517 Ang Y18.CE2 and P38.CB other bump:1.09923 Ang Y18.CZ and P38.CB other bump:0.864336 Ang Y18.OH and P38.CA other bump:2.89593 Ang Y18.CE1 and P38.CA other bump:2.87964 Ang Y18.CE2 and P38.CA other bump:1.97214 Ang Y18.CZ and P38.CA other bump:1.92789 Ang Y18.OH and P38.N other bump:2.86115 Ang Y18.CE1 and P38.N other bump:2.64103 Ang Y18.CE2 and P38.N other bump:2.09063 Ang Y18.CZ and P38.N other bump:2.45017 Ang Y18.CE2 and V37.C other bump:2.63366 Ang Y18.CZ and V37.C other bump:2.4301 Ang Y18.CE2 and V37.O other bump:2.94246 Ang Y31.CZ and V37.CG1 other bump:2.79283 Ang Y31.OH and V37.CG1 other bump:1.73326 Ang G6.CA and H35.NE2 other bump:2.28353 Ang G6.N and H35.NE2 other bump:3.07339 Ang G6.C and H35.CE1 other bump:1.90365 Ang G6.CA and H35.CE1 other bump:2.49561 Ang G6.N and H35.CE1 other bump:2.9949 Ang L5.C and H35.CE1 other bump:2.76082 Ang I9.CD1 and H35.CE1 other bump:3.20326 Ang G6.CA and H35.ND1 other bump:2.38752 Ang I9.CD1 and H35.ND1 other bump:3.09015 Ang G6.CA and H35.CD2 other bump:2.39173 Ang D27.OD1 and Y31.CE1 other bump:2.61122 Ang D27.CG and Y31.CE1 other bump:2.40539 Ang D27.OD2 and Y31.CE1 other bump:2.61199 Ang D27.O and Y31.CD1 other bump:2.5429 Ang S21.OG and D27.N other bump:2.90559 Ang Y2.CE2 and D26.OD1 other bump:2.58644 Ang S21.OG and D26.CB other bump:2.93369 Ang L5.CG and K17.CE other bump:1.96025 Ang L5.CD2 and K17.CE other bump:3.00902 Ang K8.CG and V13.CG1 other bump:2.66174 Ang K8.CE and V13.CG1 T0187 104 :VLELVDQLNENDTVLFLLSGGGSSL 1lk5A 80 :IDVAVDGADEVDPNLNLIKGRGAAL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.61216 Ang E11.OE1 and L19.CD1 other bump:2.73825 Ang L9.CD1 and L18.CD2 other bump:2.67085 Ang N12.OD1 and L18.CD2 other bump:2.46068 Ang L9.CD2 and L18.CD1 other bump:3.056 Ang L9.CD2 and L18.CB other bump:2.18686 Ang V15.CG1 and F17.CE1 other bump:2.67057 Ang V15.CG1 and F17.CD1 other bump:2.00069 Ang L9.CD1 and N12.OD1 other bump:2.68041 Ang L9.CD1 and N12.CG other bump:3.05273 Ang V2.CG2 and L5.CG Number of specific fragments= 3 total=648 Number of alignments=123 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-vit-adpstyle1.pw.a2m.gz # 1lk5A read from T0187-1lk5A-vit-adpstyle1.pw.a2m.gz # found chain 1lk5A in template set T0187 41 :ILVAVGKAAWR 1lk5A 22 :MVIGLGTGSTT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.96378 Ang W11.NE1 and R12.NH1 neighbor-bump: 2.24662 Ang K8.O and A9.CB neighbor-bump: 2.65428 Ang K8.C and A9.CB other bump:3.12608 Ang I2.CG1 and V4.CG1 other bump:2.70564 Ang I2.CD1 and V4.CG1 T0187 54 :KAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTTRRVLELVDQLNEN 1lk5A 33 :AYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAIDVAVDGADEVDPN Fragment has 79 clashes (null) has 79 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 63 residues other bump:2.9745 Ang V56.CG1 and Q58.C other bump:2.39821 Ang V56.CG1 and Q58.O other bump:3.0497 Ang A4.CB and L53.CD2 self-bump: 1.39644 Ang R50.CA and R50.CB other bump:2.54391 Ang I46.CG2 and T48.O other bump:2.08254 Ang D42.O and T45.OG1 other bump:2.81948 Ang D42.OD2 and T45.CG2 other bump:2.44476 Ang D42.CG and N44.OD1 other bump:1.91005 Ang D42.OD2 and N44.OD1 other bump:2.74036 Ang D42.OD2 and N44.CG other bump:2.54418 Ang H23.NE2 and E43.CA other bump:3.11162 Ang H23.ND1 and E43.CA other bump:2.14111 Ang H23.CE1 and E43.CA other bump:1.86311 Ang H23.NE2 and E43.N other bump:2.6561 Ang H23.ND1 and E43.N other bump:1.37001 Ang H23.CE1 and E43.N other bump:2.62915 Ang H23.NE2 and D42.C other bump:2.49574 Ang H23.ND1 and D42.C other bump:1.5944 Ang H23.CE1 and D42.C other bump:2.32277 Ang H23.CE1 and D42.O other bump:3.08965 Ang H23.ND1 and D42.CA other bump:2.42661 Ang H23.CE1 and D42.CA other bump:2.02063 Ang Y21.OH and P41.C other bump:3.04043 Ang Y21.CZ and P41.C other bump:2.31853 Ang Y21.OH and P41.CD other bump:2.49365 Ang G22.O and P41.CD neighbor-bump: 2.43782 Ang V40.CA and P41.CD neighbor-bump: 1.82572 Ang V40.C and P41.CD other bump:2.68266 Ang Y21.CG and P41.CD other bump:2.46614 Ang Y21.CD1 and P41.CD other bump:2.35382 Ang Y21.CD2 and P41.CD other bump:1.89313 Ang Y21.CE1 and P41.CD other bump:1.74757 Ang Y21.CE2 and P41.CD other bump:1.443 Ang Y21.CZ and P41.CD other bump:1.77641 Ang Y21.OH and P41.CG other bump:2.58544 Ang Y21.CG and P41.CG other bump:1.90212 Ang Y21.CD1 and P41.CG other bump:2.53051 Ang Y21.CD2 and P41.CG other bump:0.734868 Ang Y21.CE1 and P41.CG other bump:1.83294 Ang Y21.CE2 and P41.CG other bump:0.657138 Ang Y21.CZ and P41.CG other bump:0.618089 Ang Y21.OH and P41.CB other bump:2.14627 Ang Y21.CE1 and P41.CB other bump:2.09517 Ang Y21.CE2 and P41.CB other bump:1.09923 Ang Y21.CZ and P41.CB other bump:0.864336 Ang Y21.OH and P41.CA other bump:2.89593 Ang Y21.CE1 and P41.CA other bump:2.87964 Ang Y21.CE2 and P41.CA other bump:1.97214 Ang Y21.CZ and P41.CA other bump:1.92789 Ang Y21.OH and P41.N other bump:2.86115 Ang Y21.CE1 and P41.N other bump:2.64103 Ang Y21.CE2 and P41.N other bump:2.09063 Ang Y21.CZ and P41.N other bump:2.45017 Ang Y21.CE2 and V40.C other bump:2.63366 Ang Y21.CZ and V40.C other bump:2.4301 Ang Y21.CE2 and V40.O other bump:2.94246 Ang Y34.CZ and V40.CG1 other bump:2.79283 Ang Y34.OH and V40.CG1 other bump:1.73326 Ang G9.CA and H38.NE2 other bump:2.28353 Ang G9.N and H38.NE2 other bump:1.90365 Ang G9.CA and H38.CE1 other bump:3.07339 Ang G9.C and H38.CE1 other bump:2.49561 Ang G9.N and H38.CE1 other bump:2.9949 Ang L8.C and H38.CE1 other bump:2.76082 Ang I12.CD1 and H38.CE1 other bump:3.20326 Ang G9.CA and H38.ND1 other bump:2.38752 Ang I12.CD1 and H38.ND1 other bump:3.09015 Ang G9.CA and H38.CD2 other bump:2.39173 Ang D30.OD1 and Y34.CE1 other bump:2.61122 Ang D30.CG and Y34.CE1 other bump:2.40539 Ang D30.OD2 and Y34.CE1 other bump:2.61199 Ang D30.O and Y34.CD1 other bump:2.5429 Ang S24.OG and D30.N other bump:2.9056 Ang Y5.CE2 and D29.OD1 other bump:2.58644 Ang S24.OG and D29.CB other bump:2.93369 Ang L8.CG and K20.CE other bump:1.96025 Ang L8.CD2 and K20.CE other bump:3.00902 Ang K11.CG and V16.CG1 other bump:2.66174 Ang K11.CE and V16.CG1 T0187 118 :LFLLSGGGSSL 1lk5A 94 :LNLIKGRGAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 3 total=651 Number of alignments=124 # Reading fragments from alignment file # T0187 read from T0187-1lk5A-vit-adpstyle5.pw.a2m.gz # 1lk5A read from T0187-1lk5A-vit-adpstyle5.pw.a2m.gz # found chain 1lk5A in template set T0187 37 :LDRVILVAVGKAAWR 1lk5A 18 :IEDDMVIGLGTGSTT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.96378 Ang W15.NE1 and R16.NH1 neighbor-bump: 2.65428 Ang K12.C and A13.CB neighbor-bump: 2.24662 Ang K12.O and A13.CB neighbor-bump: 2.58769 Ang R4.C and V5.CB T0187 54 :KAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHPVPDENTIKTT 1lk5A 33 :AYFIKLLGEKLKRGEISDIVGVPTSYQAKLLAIEHDIPIASLDQVDAI Fragment has 75 clashes (null) has 75 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.54391 Ang I46.CG2 and T48.O other bump:2.08254 Ang D42.O and T45.OG1 other bump:2.81948 Ang D42.OD2 and T45.CG2 other bump:2.44476 Ang D42.CG and N44.OD1 other bump:1.91005 Ang D42.OD2 and N44.OD1 other bump:2.74036 Ang D42.OD2 and N44.CG other bump:3.11162 Ang H23.ND1 and E43.CA other bump:2.14111 Ang H23.CE1 and E43.CA other bump:2.54418 Ang H23.NE2 and E43.CA other bump:2.6561 Ang H23.ND1 and E43.N other bump:1.37001 Ang H23.CE1 and E43.N other bump:1.86311 Ang H23.NE2 and E43.N other bump:2.49574 Ang H23.ND1 and D42.C other bump:1.5944 Ang H23.CE1 and D42.C other bump:2.62915 Ang H23.NE2 and D42.C other bump:2.32277 Ang H23.CE1 and D42.O other bump:3.08965 Ang H23.ND1 and D42.CA other bump:2.42661 Ang H23.CE1 and D42.CA other bump:2.02063 Ang Y21.OH and P41.C other bump:3.04043 Ang Y21.CZ and P41.C other bump:2.31853 Ang Y21.OH and P41.CD other bump:2.49365 Ang G22.O and P41.CD neighbor-bump: 2.43782 Ang V40.CA and P41.CD other bump:2.68266 Ang Y21.CG and P41.CD other bump:2.46614 Ang Y21.CD1 and P41.CD other bump:2.35382 Ang Y21.CD2 and P41.CD other bump:1.89313 Ang Y21.CE1 and P41.CD other bump:1.74757 Ang Y21.CE2 and P41.CD other bump:1.443 Ang Y21.CZ and P41.CD neighbor-bump: 1.82572 Ang V40.C and P41.CD other bump:1.77641 Ang Y21.OH and P41.CG other bump:2.58544 Ang Y21.CG and P41.CG other bump:1.90212 Ang Y21.CD1 and P41.CG other bump:2.53051 Ang Y21.CD2 and P41.CG other bump:0.734868 Ang Y21.CE1 and P41.CG other bump:1.83294 Ang Y21.CE2 and P41.CG other bump:0.657138 Ang Y21.CZ and P41.CG other bump:0.618089 Ang Y21.OH and P41.CB other bump:2.14627 Ang Y21.CE1 and P41.CB other bump:2.09517 Ang Y21.CE2 and P41.CB other bump:1.09923 Ang Y21.CZ and P41.CB other bump:0.864336 Ang Y21.OH and P41.CA other bump:2.89593 Ang Y21.CE1 and P41.CA other bump:2.87964 Ang Y21.CE2 and P41.CA other bump:1.97214 Ang Y21.CZ and P41.CA other bump:1.92789 Ang Y21.OH and P41.N other bump:2.86115 Ang Y21.CE1 and P41.N other bump:2.64103 Ang Y21.CE2 and P41.N other bump:2.09063 Ang Y21.CZ and P41.N other bump:2.45017 Ang Y21.CE2 and V40.C other bump:2.63366 Ang Y21.CZ and V40.C other bump:2.4301 Ang Y21.CE2 and V40.O other bump:2.94246 Ang Y34.CZ and V40.CG1 other bump:2.79283 Ang Y34.OH and V40.CG1 other bump:1.73326 Ang G9.CA and H38.NE2 other bump:2.28353 Ang G9.N and H38.NE2 other bump:1.90365 Ang G9.CA and H38.CE1 other bump:3.07339 Ang G9.C and H38.CE1 other bump:2.76082 Ang I12.CD1 and H38.CE1 other bump:2.9949 Ang L8.C and H38.CE1 other bump:2.49561 Ang G9.N and H38.CE1 other bump:3.20326 Ang G9.CA and H38.ND1 other bump:2.38752 Ang I12.CD1 and H38.ND1 other bump:3.09015 Ang G9.CA and H38.CD2 other bump:2.39173 Ang D30.OD1 and Y34.CE1 other bump:2.61122 Ang D30.CG and Y34.CE1 other bump:2.40539 Ang D30.OD2 and Y34.CE1 other bump:2.61199 Ang D30.O and Y34.CD1 other bump:2.5429 Ang S24.OG and D30.N other bump:2.9056 Ang Y5.CE2 and D29.OD1 other bump:2.58644 Ang S24.OG and D29.CB other bump:2.93369 Ang L8.CG and K20.CE other bump:1.96025 Ang L8.CD2 and K20.CE other bump:3.00902 Ang K11.CG and V16.CG1 other bump:2.66174 Ang K11.CE and V16.CG1 T0187 105 :LELVDQLNENDTVLFLLSGGGSSLFE 1lk5A 81 :DVAVDGADEVDPNLNLIKGRGAALTM Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.61216 Ang E10.OE1 and L18.CD1 other bump:2.67085 Ang N11.OD1 and L17.CD2 other bump:2.73825 Ang L8.CD1 and L17.CD2 other bump:2.46068 Ang L8.CD2 and L17.CD1 other bump:3.056 Ang L8.CD2 and L17.CB other bump:2.18686 Ang V14.CG1 and F16.CE1 other bump:2.67057 Ang V14.CG1 and F16.CD1 other bump:2.00069 Ang L8.CD1 and N11.OD1 other bump:2.68041 Ang L8.CD1 and N11.CG Number of specific fragments= 3 total=654 Number of alignments=125 # Prefix for input files set to 1pdo/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1pdo-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1pdo read from 1pdo-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 1 :MFDPE 1pdo 2 :TIAIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.03498 Ang D3.C and P4.CD T0187 6 :SLKKLAIEIVKKSIEAVFPDRA 1pdo 8 :GTHGWAAEQLLKTAEMLLGEQE Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.4304 Ang F19.CA and R22.NH2 other bump:1.09317 Ang F19.CB and R22.NH2 other bump:2.16697 Ang F19.CG and R22.NH2 other bump:2.89601 Ang F19.C and R22.NH2 other bump:2.47828 Ang P20.CG and R22.NH1 other bump:2.83629 Ang F19.C and R22.NH1 other bump:2.28337 Ang F19.CB and R22.CZ other bump:3.25895 Ang F19.C and R22.CZ other bump:2.64361 Ang K12.NZ and R22.CB neighbor-bump: 1.10201 Ang F19.O and P20.CD neighbor-bump: 1.69965 Ang F19.CA and P20.CD neighbor-bump: 2.81238 Ang F19.CB and P20.CD neighbor-bump: 0.412196 Ang F19.C and P20.CD neighbor-bump: 0.651913 Ang F19.O and P20.CG neighbor-bump: 2.96656 Ang F19.CA and P20.CG neighbor-bump: 1.61677 Ang F19.C and P20.CG neighbor-bump: 2.04659 Ang F19.O and P20.CB neighbor-bump: 2.4729 Ang F19.C and P20.CB other bump:2.80836 Ang S2.N and I8.CD1 other bump:2.00483 Ang S2.CA and I8.CD1 other bump:2.25364 Ang S2.C and I8.CD1 other bump:2.05182 Ang L3.N and I8.CD1 other bump:3.10378 Ang G1.C and I8.CG2 other bump:2.95355 Ang S2.C and I8.CG1 other bump:2.64703 Ang L3.N and I8.CG1 other bump:2.91175 Ang L3.CG and I8.CG1 other bump:2.79218 Ang L3.CD1 and I8.N other bump:2.94872 Ang L3.CD1 and A7.C other bump:2.81447 Ang L3.CD1 and A7.CB neighbor-bump: 3.07565 Ang K5.CB and L6.CD2 neighbor-bump: 2.34171 Ang K5.CB and L6.N self-bump: 2.09007 Ang K5.CB and K5.C self-bump: 1.26243 Ang K5.CA and K5.CB T0187 36 :NLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1pdo 30 :NVGWIDFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTW Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.96171 Ang V36.CG1 and K38.NZ other bump:2.1803 Ang V25.CG1 and I30.CD1 other bump:2.25617 Ang D4.CB and K28.NZ other bump:3.03922 Ang L3.C and K28.CE other bump:2.16928 Ang D4.CB and K28.CE other bump:2.47221 Ang D4.N and K28.CE other bump:2.85849 Ang D4.CA and K28.CE other bump:2.69383 Ang D4.CG and E24.OE2 other bump:1.44767 Ang D4.OD1 and E24.OE2 other bump:3.0103 Ang D4.CG and E24.CD other bump:1.95785 Ang D4.OD1 and E24.CD other bump:2.49704 Ang D4.CG and E24.CG other bump:2.34108 Ang D4.OD2 and E24.CG other bump:2.05864 Ang D4.OD1 and E24.CG other bump:2.28359 Ang D4.CG and E24.CB other bump:2.13815 Ang D4.OD2 and E24.CB other bump:2.24009 Ang D4.OD1 and E24.CB other bump:2.56738 Ang A19.O and Y23.CD1 other bump:1.54814 Ang L8.CD1 and R17.NH2 other bump:2.30132 Ang V9.N and R17.NH2 other bump:1.71551 Ang L8.CA and R17.NH2 other bump:1.96168 Ang L8.CB and R17.NH2 other bump:2.16854 Ang L8.C and R17.NH2 other bump:1.80474 Ang L8.CG and R17.NH2 other bump:1.89258 Ang L8.CD1 and R17.CZ other bump:2.45349 Ang L8.CA and R17.CZ other bump:2.60866 Ang L8.CB and R17.CZ other bump:3.31418 Ang L8.C and R17.CZ other bump:2.54953 Ang L8.CG and R17.CZ other bump:2.41418 Ang L8.CD1 and R17.NE other bump:2.93917 Ang L8.CA and R17.NE other bump:2.57927 Ang L8.CB and R17.NE other bump:2.71988 Ang L8.CG and R17.NE neighbor-bump: 2.3747 Ang A10.O and V11.CG2 neighbor-bump: 2.88082 Ang A10.C and V11.CG2 neighbor-bump: 2.18035 Ang A10.O and V11.CB neighbor-bump: 2.59978 Ang A10.C and V11.CB T0187 88 :AGHPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFE 1pdo 70 :GGSPFNAASRIVVDKEHYEVIAGVNIPMLVETLMARDDDPSFD Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues neighbor-bump: 2.5685 Ang D23.OD2 and Q24.CG other bump:2.67536 Ang E9.CB and L21.CD2 other bump:2.62448 Ang N10.N and L21.CD1 other bump:2.81927 Ang N10.CA and L21.CD1 other bump:2.3363 Ang N10.OD1 and L21.CD1 other bump:3.07935 Ang K13.CE and E20.C other bump:1.66819 Ang K13.NZ and E20.C other bump:1.13382 Ang K13.NZ and E20.O other bump:2.43898 Ang K13.NZ and E20.CA other bump:2.71917 Ang K13.CD and E20.N other bump:2.65224 Ang K13.CE and E20.N other bump:2.37602 Ang K13.NZ and E20.N other bump:2.79766 Ang K13.CD and L19.C other bump:2.99905 Ang K13.CD and L19.CD2 other bump:3.00147 Ang K13.CD and L19.CG other bump:3.10237 Ang K13.CB and L19.CB other bump:2.35598 Ang K13.CD and L19.CB other bump:2.78338 Ang K13.CD and L19.CA neighbor-bump: 2.61001 Ang R17.C and V18.CB other bump:1.32732 Ang G3.O and P7.CD other bump:3.22192 Ang H4.CA and P7.CD other bump:2.94481 Ang H4.C and P7.CD other bump:2.5338 Ang G3.C and P7.CD other bump:2.07571 Ang G3.O and P7.CG other bump:2.97689 Ang G3.C and P7.CG neighbor-bump: 2.43658 Ang G1.C and A2.CB neighbor-bump: 2.0733 Ang G1.O and A2.CB T0187 132 :PLEGVSLEEIQKLTSA 1pdo 113 :ELVALAVETGREGVKA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.46583 Ang E10.OE2 and L14.CD2 other bump:2.54146 Ang E10.O and L14.CD1 other bump:3.23277 Ang E10.C and L14.CG other bump:2.14482 Ang E10.O and L14.CG other bump:2.55928 Ang S7.O and I11.CD1 T0187 149 :LK 1pdo 129 :LK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 6 total=660 Number of alignments=126 # Reading fragments from alignment file # T0187 read from 1pdo-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1pdo read from 1pdo-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 1 :MFDPE 1pdo 2 :TIAIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.03498 Ang D3.C and P4.CD T0187 6 :SLKKLAIEIVKKSIEAVFPDRA 1pdo 8 :GTHGWAAEQLLKTAEMLLGEQE Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.4304 Ang F19.CA and R22.NH2 other bump:1.09317 Ang F19.CB and R22.NH2 other bump:2.16697 Ang F19.CG and R22.NH2 other bump:2.89601 Ang F19.C and R22.NH2 other bump:2.47828 Ang P20.CG and R22.NH1 other bump:2.83629 Ang F19.C and R22.NH1 other bump:2.28337 Ang F19.CB and R22.CZ other bump:3.25895 Ang F19.C and R22.CZ other bump:2.64361 Ang K12.NZ and R22.CB neighbor-bump: 1.10201 Ang F19.O and P20.CD neighbor-bump: 1.69965 Ang F19.CA and P20.CD neighbor-bump: 2.81238 Ang F19.CB and P20.CD neighbor-bump: 0.412196 Ang F19.C and P20.CD neighbor-bump: 0.651913 Ang F19.O and P20.CG neighbor-bump: 2.96656 Ang F19.CA and P20.CG neighbor-bump: 1.61677 Ang F19.C and P20.CG neighbor-bump: 2.04659 Ang F19.O and P20.CB neighbor-bump: 2.4729 Ang F19.C and P20.CB other bump:2.80836 Ang S2.N and I8.CD1 other bump:2.00483 Ang S2.CA and I8.CD1 other bump:2.25364 Ang S2.C and I8.CD1 other bump:2.05182 Ang L3.N and I8.CD1 other bump:3.10378 Ang G1.C and I8.CG2 other bump:2.95355 Ang S2.C and I8.CG1 other bump:2.64703 Ang L3.N and I8.CG1 other bump:2.91175 Ang L3.CG and I8.CG1 other bump:2.79218 Ang L3.CD1 and I8.N other bump:2.94872 Ang L3.CD1 and A7.C other bump:2.81447 Ang L3.CD1 and A7.CB neighbor-bump: 3.07565 Ang K5.CB and L6.CD2 neighbor-bump: 2.34171 Ang K5.CB and L6.N self-bump: 2.09007 Ang K5.CB and K5.C self-bump: 1.26243 Ang K5.CA and K5.CB T0187 36 :NLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1pdo 30 :NVGWIDFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWG Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues neighbor-bump: 2.597 Ang H41.ND1 and S42.OG neighbor-bump: 2.0473 Ang H41.O and S42.CB neighbor-bump: 2.42431 Ang H41.C and S42.CB other bump:2.96171 Ang V36.CG1 and K38.NZ other bump:2.1803 Ang V25.CG1 and I30.CD1 other bump:2.25617 Ang D4.CB and K28.NZ other bump:3.03922 Ang L3.C and K28.CE other bump:2.16928 Ang D4.CB and K28.CE other bump:2.47221 Ang D4.N and K28.CE other bump:2.85849 Ang D4.CA and K28.CE other bump:2.69383 Ang D4.CG and E24.OE2 other bump:1.44767 Ang D4.OD1 and E24.OE2 other bump:3.0103 Ang D4.CG and E24.CD other bump:1.95785 Ang D4.OD1 and E24.CD other bump:2.49704 Ang D4.CG and E24.CG other bump:2.34108 Ang D4.OD2 and E24.CG other bump:2.05864 Ang D4.OD1 and E24.CG other bump:2.28359 Ang D4.CG and E24.CB other bump:2.13815 Ang D4.OD2 and E24.CB other bump:2.24009 Ang D4.OD1 and E24.CB other bump:2.56738 Ang A19.O and Y23.CD1 other bump:1.54814 Ang L8.CD1 and R17.NH2 other bump:2.30132 Ang V9.N and R17.NH2 other bump:1.71551 Ang L8.CA and R17.NH2 other bump:1.96168 Ang L8.CB and R17.NH2 other bump:2.16854 Ang L8.C and R17.NH2 other bump:1.80474 Ang L8.CG and R17.NH2 other bump:1.89258 Ang L8.CD1 and R17.CZ other bump:2.45349 Ang L8.CA and R17.CZ other bump:2.60866 Ang L8.CB and R17.CZ other bump:3.31418 Ang L8.C and R17.CZ other bump:2.54953 Ang L8.CG and R17.CZ other bump:2.41418 Ang L8.CD1 and R17.NE other bump:2.93917 Ang L8.CA and R17.NE other bump:2.57927 Ang L8.CB and R17.NE other bump:2.71988 Ang L8.CG and R17.NE neighbor-bump: 2.3747 Ang A10.O and V11.CG2 neighbor-bump: 2.88082 Ang A10.C and V11.CG2 neighbor-bump: 2.18035 Ang A10.O and V11.CB neighbor-bump: 2.59978 Ang A10.C and V11.CB T0187 89 :GHPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFELPL 1pdo 71 :GSPFNAASRIVVDKEHYEVIAGVNIPMLVETLMARDDDPSFDELV Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:1.57038 Ang L41.O and P45.CD other bump:2.787 Ang L41.C and P45.CD other bump:3.05448 Ang F42.C and P45.CD other bump:2.33719 Ang L41.O and P45.CG other bump:2.31426 Ang S40.OG and P45.CG neighbor-bump: 2.5685 Ang D22.OD2 and Q23.CG other bump:2.67536 Ang E8.CB and L20.CD2 other bump:2.62448 Ang N9.N and L20.CD1 other bump:2.81927 Ang N9.CA and L20.CD1 other bump:2.3363 Ang N9.OD1 and L20.CD1 other bump:3.07935 Ang K12.CE and E19.C other bump:1.66819 Ang K12.NZ and E19.C other bump:1.13382 Ang K12.NZ and E19.O other bump:2.43898 Ang K12.NZ and E19.CA other bump:2.71917 Ang K12.CD and E19.N other bump:2.65224 Ang K12.CE and E19.N other bump:2.37602 Ang K12.NZ and E19.N other bump:2.79766 Ang K12.CD and L18.C other bump:2.99905 Ang K12.CD and L18.CD2 other bump:3.00147 Ang K12.CD and L18.CG other bump:3.10237 Ang K12.CB and L18.CB other bump:2.35598 Ang K12.CD and L18.CB other bump:2.78338 Ang K12.CD and L18.CA neighbor-bump: 2.61001 Ang R16.C and V17.CB other bump:1.32732 Ang G2.O and P6.CD other bump:3.22192 Ang H3.CA and P6.CD other bump:2.94481 Ang H3.C and P6.CD other bump:2.5338 Ang G2.C and P6.CD other bump:2.07571 Ang G2.O and P6.CG other bump:2.97689 Ang G2.C and P6.CG T0187 135 :GVSL 1pdo 116 :ALAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 140 :EIQKLTSALLK 1pdo 120 :ETGREGVKALK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.32393 Ang I3.O and T7.CG2 Number of specific fragments= 6 total=666 Number of alignments=127 # Reading fragments from alignment file # T0187 read from 1pdo-T0187-local-adpstyle1.pw.a2m.gz # 1pdo read from 1pdo-T0187-local-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 92 :VPDENTIKTTRRVLELVDQLNENDTVLFL 1pdo 37 :VPGENAETLIEKYNAQLAKLDTTKGVLFL Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.9451 Ang V14.CG1 and F29.CE2 other bump:2.73999 Ang E23.CD and V27.CG2 other bump:1.53299 Ang E23.OE1 and V27.CG2 other bump:2.87647 Ang E23.OE1 and V27.CB neighbor-bump: 1.71036 Ang D25.O and T26.CG2 neighbor-bump: 2.59131 Ang D25.C and T26.CG2 neighbor-bump: 2.21194 Ang D25.O and T26.CB neighbor-bump: 2.67096 Ang D25.C and T26.CB other bump:2.08051 Ang L15.O and D19.OD2 other bump:2.84489 Ang L15.C and D19.OD2 other bump:1.0117 Ang R12.O and E16.OE1 other bump:1.9375 Ang R12.C and E16.OE1 other bump:2.68895 Ang R13.CA and E16.OE1 other bump:1.92816 Ang R12.O and E16.CD other bump:2.81783 Ang R12.C and E16.CD other bump:2.64252 Ang K9.CG and R13.NH1 other bump:2.60024 Ang E5.CD and R13.NH1 other bump:2.46392 Ang E5.OE2 and R13.NH1 other bump:2.56986 Ang T7.O and T10.CG2 other bump:2.83653 Ang E5.CG and K9.CD self-bump: 1.39147 Ang D4.CA and D4.CB Number of specific fragments= 1 total=667 Number of alignments=128 # Reading fragments from alignment file # T0187 read from 1pdo-T0187-local-adpstyle5.pw.a2m.gz # 1pdo read from 1pdo-T0187-local-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 77 :EGPIDDF 1pdo 25 :LGEQENV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.57784 Ang I5.O and F8.CZ other bump:3.1425 Ang I5.CA and F8.CZ other bump:2.41545 Ang I5.CB and F8.CZ other bump:3.07535 Ang I5.C and F8.CZ other bump:2.35277 Ang I5.O and F8.CE2 other bump:1.90908 Ang I5.CG2 and F8.CE2 other bump:3.05387 Ang I5.N and F8.CE2 other bump:2.36524 Ang I5.CA and F8.CE2 other bump:1.40567 Ang I5.CB and F8.CE2 other bump:2.73916 Ang I5.CG1 and F8.CE2 other bump:2.32658 Ang I5.C and F8.CE2 other bump:1.62916 Ang I5.CG2 and F8.CD2 other bump:2.24322 Ang I5.CB and F8.CD2 other bump:3.11647 Ang I5.C and F8.CD2 other bump:2.96938 Ang I5.CG2 and F8.CG T0187 87 :EAGHPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 32 :GWIDFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.9451 Ang V19.CG1 and F34.CE2 other bump:2.73999 Ang E28.CD and V32.CG2 other bump:1.53299 Ang E28.OE1 and V32.CG2 other bump:2.87647 Ang E28.OE1 and V32.CB neighbor-bump: 2.59131 Ang D30.C and T31.CG2 neighbor-bump: 1.71036 Ang D30.O and T31.CG2 neighbor-bump: 2.67096 Ang D30.C and T31.CB neighbor-bump: 2.21194 Ang D30.O and T31.CB other bump:2.08051 Ang L20.O and D24.OD2 other bump:2.84489 Ang L20.C and D24.OD2 other bump:3.02845 Ang E2.CG and L22.CD2 other bump:2.04006 Ang E2.OE2 and L22.CD1 other bump:2.35682 Ang E2.CG and L22.CD1 other bump:2.40849 Ang E2.CD and L22.CD1 other bump:2.52513 Ang A3.O and L22.CD1 other bump:1.89254 Ang E2.OE2 and L22.CG other bump:2.65463 Ang E2.CG and L22.CG other bump:2.61204 Ang E2.CD and L22.CG other bump:1.28923 Ang E2.OE2 and L22.CB other bump:2.42212 Ang E2.CG and L22.CB other bump:1.88029 Ang E2.CD and L22.CB other bump:2.9272 Ang E2.OE1 and L22.CB other bump:2.62508 Ang E2.OE2 and L22.CA other bump:3.23831 Ang E2.CD and L22.CA other bump:1.0117 Ang R17.O and E21.OE1 other bump:1.9375 Ang R17.C and E21.OE1 other bump:2.68895 Ang R18.CA and E21.OE1 other bump:1.92816 Ang R17.O and E21.CD other bump:2.81783 Ang R17.C and E21.CD other bump:2.64252 Ang K14.CG and R18.NH1 other bump:2.60024 Ang E10.CD and R18.NH1 other bump:2.46392 Ang E10.OE2 and R18.NH1 other bump:2.56986 Ang T12.O and T15.CG2 other bump:2.83653 Ang E10.CG and K14.CD self-bump: 1.39147 Ang D9.CA and D9.CB neighbor-bump: 1.95267 Ang H5.C and P6.CD neighbor-bump: 2.72867 Ang H5.C and P6.CG Number of specific fragments= 2 total=669 Number of alignments=129 # Reading fragments from alignment file # T0187 read from 1pdo-T0187-vit-adpstyle1.pw.a2m.gz # 1pdo read from 1pdo-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 92 :VPDENTIKTTRRVLELVDQLNENDTVLFL 1pdo 37 :VPGENAETLIEKYNAQLAKLDTTKGVLFL Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.9451 Ang V14.CG1 and F29.CE2 other bump:2.73999 Ang E23.CD and V27.CG2 other bump:1.53299 Ang E23.OE1 and V27.CG2 other bump:2.87647 Ang E23.OE1 and V27.CB neighbor-bump: 1.71036 Ang D25.O and T26.CG2 neighbor-bump: 2.59131 Ang D25.C and T26.CG2 neighbor-bump: 2.21194 Ang D25.O and T26.CB neighbor-bump: 2.67096 Ang D25.C and T26.CB other bump:2.08051 Ang L15.O and D19.OD2 other bump:2.84489 Ang L15.C and D19.OD2 other bump:1.0117 Ang R12.O and E16.OE1 other bump:1.9375 Ang R12.C and E16.OE1 other bump:2.68895 Ang R13.CA and E16.OE1 other bump:1.92816 Ang R12.O and E16.CD other bump:2.81783 Ang R12.C and E16.CD other bump:2.64252 Ang K9.CG and R13.NH1 other bump:2.60024 Ang E5.CD and R13.NH1 other bump:2.46392 Ang E5.OE2 and R13.NH1 other bump:2.56986 Ang T7.O and T10.CG2 other bump:2.83653 Ang E5.CG and K9.CD self-bump: 1.39147 Ang D4.CA and D4.CB Number of specific fragments= 1 total=670 Number of alignments=130 # Reading fragments from alignment file # T0187 read from 1pdo-T0187-vit-adpstyle5.pw.a2m.gz # 1pdo read from 1pdo-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 77 :EGPIDDF 1pdo 25 :LGEQENV Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.57784 Ang I5.O and F8.CZ other bump:3.1425 Ang I5.CA and F8.CZ other bump:2.41545 Ang I5.CB and F8.CZ other bump:3.07535 Ang I5.C and F8.CZ other bump:2.35277 Ang I5.O and F8.CE2 other bump:1.90908 Ang I5.CG2 and F8.CE2 other bump:3.05387 Ang I5.N and F8.CE2 other bump:2.36524 Ang I5.CA and F8.CE2 other bump:1.40567 Ang I5.CB and F8.CE2 other bump:2.73916 Ang I5.CG1 and F8.CE2 other bump:2.32658 Ang I5.C and F8.CE2 other bump:1.62916 Ang I5.CG2 and F8.CD2 other bump:2.24322 Ang I5.CB and F8.CD2 other bump:3.11647 Ang I5.C and F8.CD2 other bump:2.96938 Ang I5.CG2 and F8.CG T0187 87 :EAGHPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 32 :GWIDFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.9451 Ang V19.CG1 and F34.CE2 other bump:2.73999 Ang E28.CD and V32.CG2 other bump:1.53299 Ang E28.OE1 and V32.CG2 other bump:2.87647 Ang E28.OE1 and V32.CB neighbor-bump: 2.59131 Ang D30.C and T31.CG2 neighbor-bump: 1.71036 Ang D30.O and T31.CG2 neighbor-bump: 2.67096 Ang D30.C and T31.CB neighbor-bump: 2.21194 Ang D30.O and T31.CB other bump:2.08051 Ang L20.O and D24.OD2 other bump:2.84489 Ang L20.C and D24.OD2 other bump:3.02845 Ang E2.CG and L22.CD2 other bump:2.04006 Ang E2.OE2 and L22.CD1 other bump:2.35682 Ang E2.CG and L22.CD1 other bump:2.40849 Ang E2.CD and L22.CD1 other bump:2.52513 Ang A3.O and L22.CD1 other bump:1.89254 Ang E2.OE2 and L22.CG other bump:2.65463 Ang E2.CG and L22.CG other bump:2.61204 Ang E2.CD and L22.CG other bump:1.28923 Ang E2.OE2 and L22.CB other bump:2.42212 Ang E2.CG and L22.CB other bump:1.88029 Ang E2.CD and L22.CB other bump:2.9272 Ang E2.OE1 and L22.CB other bump:2.62508 Ang E2.OE2 and L22.CA other bump:3.23831 Ang E2.CD and L22.CA other bump:1.0117 Ang R17.O and E21.OE1 other bump:1.9375 Ang R17.C and E21.OE1 other bump:2.68895 Ang R18.CA and E21.OE1 other bump:1.92816 Ang R17.O and E21.CD other bump:2.81783 Ang R17.C and E21.CD other bump:2.64252 Ang K14.CG and R18.NH1 other bump:2.60024 Ang E10.CD and R18.NH1 other bump:2.46392 Ang E10.OE2 and R18.NH1 other bump:2.56986 Ang T12.O and T15.CG2 other bump:2.83653 Ang E10.CG and K14.CD self-bump: 1.39147 Ang D9.CA and D9.CB neighbor-bump: 1.95267 Ang H5.C and P6.CD neighbor-bump: 2.72867 Ang H5.C and P6.CG Number of specific fragments= 2 total=672 Number of alignments=131 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVAV 1pdo 3 :IAIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 140 :EIQKLTSALL 1pdo 73 :PFNAASRIVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 4 total=676 Number of alignments=132 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVAV 1pdo 3 :IAIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWID Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 91 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 36 :FVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.9451 Ang V15.CG1 and F30.CE2 other bump:2.73999 Ang E24.CD and V28.CG2 other bump:1.53299 Ang E24.OE1 and V28.CG2 other bump:2.87647 Ang E24.OE1 and V28.CB neighbor-bump: 1.71036 Ang D26.O and T27.CG2 neighbor-bump: 2.59131 Ang D26.C and T27.CG2 neighbor-bump: 2.21194 Ang D26.O and T27.CB neighbor-bump: 2.67096 Ang D26.C and T27.CB other bump:2.08051 Ang L16.O and D20.OD2 other bump:2.84489 Ang L16.C and D20.OD2 other bump:1.0117 Ang R13.O and E17.OE1 other bump:1.9375 Ang R13.C and E17.OE1 other bump:2.68895 Ang R14.CA and E17.OE1 other bump:1.92816 Ang R13.O and E17.CD other bump:2.81783 Ang R13.C and E17.CD other bump:2.64252 Ang K10.CG and R14.NH1 other bump:2.60024 Ang E6.CD and R14.NH1 other bump:2.46392 Ang E6.OE2 and R14.NH1 other bump:2.56986 Ang T8.O and T11.CG2 other bump:2.83653 Ang E6.CG and K10.CD self-bump: 1.39147 Ang D5.CA and D5.CB neighbor-bump: 1.95267 Ang G1.C and P2.CD neighbor-bump: 2.72867 Ang G1.C and P2.CG T0187 124 :GGSSL 1pdo 70 :GGSPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 133 :LEGVSLEEIQKLTS 1pdo 90 :IAGVNIPMLVETLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 5 total=681 Number of alignments=133 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 3 total=684 Number of alignments=134 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWID Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 91 :PVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 36 :FVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.9451 Ang V15.CG1 and F30.CE2 other bump:2.73999 Ang E24.CD and V28.CG2 other bump:1.53299 Ang E24.OE1 and V28.CG2 other bump:2.87647 Ang E24.OE1 and V28.CB neighbor-bump: 1.71036 Ang D26.O and T27.CG2 neighbor-bump: 2.59131 Ang D26.C and T27.CG2 neighbor-bump: 2.21194 Ang D26.O and T27.CB neighbor-bump: 2.67096 Ang D26.C and T27.CB other bump:2.08051 Ang L16.O and D20.OD2 other bump:2.84489 Ang L16.C and D20.OD2 other bump:1.0117 Ang R13.O and E17.OE1 other bump:1.9375 Ang R13.C and E17.OE1 other bump:2.68895 Ang R14.CA and E17.OE1 other bump:1.92816 Ang R13.O and E17.CD other bump:2.81783 Ang R13.C and E17.CD other bump:2.64252 Ang K10.CG and R14.NH1 other bump:2.60024 Ang E6.CD and R14.NH1 other bump:2.46392 Ang E6.OE2 and R14.NH1 other bump:2.56986 Ang T8.O and T11.CG2 other bump:2.83653 Ang E6.CG and K10.CD self-bump: 1.39147 Ang D5.CA and D5.CB neighbor-bump: 1.95267 Ang G1.C and P2.CD neighbor-bump: 2.72867 Ang G1.C and P2.CG T0187 124 :GGS 1pdo 70 :GGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 4 total=688 Number of alignments=135 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVAV 1pdo 3 :IAIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLL 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 134 :EGVSLEEIQKLTSALLK 1pdo 67 :DTWGGSPFNAASRIVVD Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.68428 Ang V4.CA and I9.CD1 other bump:1.0386 Ang G3.O and I9.CD1 other bump:1.93458 Ang G3.C and I9.CD1 other bump:2.58968 Ang V4.N and I9.CD1 neighbor-bump: 2.0473 Ang V4.O and S5.CB neighbor-bump: 2.42431 Ang V4.C and S5.CB neighbor-bump: 3.10928 Ang V4.CG1 and S5.CA neighbor-bump: 1.9691 Ang V4.CG1 and S5.N self-bump: 2.37047 Ang V4.CG1 and V4.C self-bump: 1.29056 Ang V4.CA and V4.CB self-bump: 1.39288 Ang E2.CA and E2.CB Number of specific fragments= 4 total=692 Number of alignments=136 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVA 1pdo 3 :IAIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLS 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVD Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 123 :GGGS 1pdo 69 :WGGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 130 :ELPLEGVSLEEIQKLTS 1pdo 87 :YEVIAGVNIPMLVETLM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.11014 Ang L3.C and P4.CD Number of specific fragments= 5 total=697 Number of alignments=137 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLL 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLV Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 3 total=700 Number of alignments=138 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVA 1pdo 4 :AIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 3 total=703 Number of alignments=139 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVAV 1pdo 3 :IAIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 140 :EIQKLTSALLK 1pdo 73 :PFNAASRIVVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 4 total=707 Number of alignments=140 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 39 :RVILVA 1pdo 3 :IAIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 124 :GGSSL 1pdo 70 :GGSPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 135 :GVSLEEIQKLT 1pdo 92 :GVNIPMLVETL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 149 :L 1pdo 103 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 6 total=713 Number of alignments=141 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 1 :MF 1pdo 2 :TI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 40 :VILVAVGKAAWRMAKAAYEVLGKKIRKGVVV 1pdo 4 :AIVIGTHGWAAEQLLKTAEMLLGEQENVGWI Fragment has 56 clashes (null) has 56 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.00305 Ang W12.NE1 and G33.CA other bump:2.53487 Ang W12.NE1 and G33.N other bump:2.82942 Ang W12.CE2 and V32.C other bump:1.98205 Ang W12.NE1 and V32.C other bump:2.59943 Ang W12.CD1 and V32.C other bump:2.74445 Ang W12.CE2 and V32.O other bump:1.73438 Ang W12.NE1 and V32.O other bump:2.63562 Ang W12.CG and V32.O other bump:1.62575 Ang W12.CD1 and V32.O other bump:3.08842 Ang W12.CE2 and V32.CA other bump:2.90605 Ang W12.NE1 and V32.CA other bump:2.80461 Ang W12.CE2 and V32.N other bump:3.0987 Ang W12.CE2 and V31.C other bump:3.03582 Ang W12.CZ2 and V31.C other bump:3.29548 Ang W12.CZ3 and V31.C other bump:3.11423 Ang W12.CH2 and V31.C other bump:1.01736 Ang W12.CD2 and V31.CG2 other bump:2.19079 Ang W12.CE2 and V31.CG2 other bump:1.00344 Ang W12.CE3 and V31.CG2 other bump:3.10871 Ang W12.NE1 and V31.CG2 other bump:2.94183 Ang W12.CZ2 and V31.CG2 other bump:2.14384 Ang W12.CZ3 and V31.CG2 other bump:2.8849 Ang W12.CH2 and V31.CG2 other bump:2.74177 Ang W12.CB and V31.CG2 other bump:1.97398 Ang W12.CG and V31.CG2 other bump:2.99095 Ang W12.CD1 and V31.CG2 other bump:2.95453 Ang W12.CD2 and V31.CG1 other bump:1.9512 Ang W12.CE3 and V31.CG1 other bump:2.72228 Ang W12.CZ2 and V31.CG1 other bump:0.802406 Ang W12.CZ3 and V31.CG1 other bump:1.56656 Ang W12.CH2 and V31.CG1 other bump:2.37759 Ang W12.CD2 and V31.CB other bump:3.11244 Ang W12.CE2 and V31.CB other bump:1.48828 Ang W12.CE3 and V31.CB other bump:1.66818 Ang W12.CZ3 and V31.CB other bump:2.62349 Ang W12.CH2 and V31.CB other bump:2.94752 Ang W12.CE3 and V31.CA other bump:2.99038 Ang W12.CZ3 and V31.CA other bump:3.02207 Ang L4.CD1 and V30.CG2 other bump:2.8966 Ang L4.CG and V30.CG2 other bump:3.15358 Ang L4.CA and V30.CG2 other bump:2.83668 Ang L4.CB and V30.CG2 other bump:2.34762 Ang Y19.CE2 and I26.CD1 other bump:2.29438 Ang Y19.CD2 and I26.CD1 other bump:3.0883 Ang Y19.CE2 and I26.CG1 neighbor-bump: 1.78793 Ang G23.O and K24.CG neighbor-bump: 2.70188 Ang G23.C and K24.CG neighbor-bump: 3.32669 Ang R13.NE and M14.CE neighbor-bump: 2.35634 Ang R13.CZ and M14.CE neighbor-bump: 2.14388 Ang R13.NH1 and M14.CE neighbor-bump: 2.51618 Ang R13.NH2 and M14.CE neighbor-bump: 3.32009 Ang R13.NH2 and M14.SD neighbor-bump: 3.17606 Ang K9.CG and A10.CA neighbor-bump: 2.06355 Ang K9.CG and A10.N self-bump: 2.50933 Ang K9.CG and K9.C self-bump: 1.29851 Ang K9.CA and K9.CB T0187 78 :GPIDDFE 1pdo 35 :DFVPGEN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.617 Ang E8.CG and G9.N self-bump: 1.39146 Ang D6.CA and D6.CB self-bump: 2.21108 Ang D5.CB and D5.C self-bump: 1.26184 Ang D5.CA and D5.CB neighbor-bump: 1.95267 Ang G2.C and P3.CD neighbor-bump: 2.72868 Ang G2.C and P3.CG T0187 97 :TIKTTRRVLELVDQLN 1pdo 42 :AETLIEKYNAQLAKLD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.08051 Ang L10.O and D14.OD2 other bump:2.84489 Ang L10.C and D14.OD2 other bump:1.0117 Ang R7.O and E11.OE1 other bump:1.9375 Ang R7.C and E11.OE1 other bump:2.68895 Ang R8.CA and E11.OE1 other bump:1.92816 Ang R7.O and E11.CD other bump:2.81783 Ang R7.C and E11.CD other bump:2.64252 Ang K4.CG and R8.NH1 other bump:2.56986 Ang T2.O and T5.CG2 T0187 113 :ENDTVLFL 1pdo 59 :TKGVLFLV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.12575 Ang V6.CG1 and F8.CZ other bump:2.87053 Ang V6.CG1 and F8.CE1 neighbor-bump: 2.68656 Ang N3.C and D4.CG neighbor-bump: 1.98539 Ang N3.O and D4.CG neighbor-bump: 2.68631 Ang N3.C and D4.CB neighbor-bump: 2.24996 Ang N3.O and D4.CB self-bump: 2.12572 Ang N3.CB and N3.C T0187 121 :LSG 1pdo 90 :IAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 133 :LEGVSLEEIQKLTSALL 1pdo 106 :DDDPSFDELVALAVETG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.35339 Ang V5.CG2 and I10.CD1 other bump:1.98219 Ang V5.CG2 and I10.CG1 Number of specific fragments= 7 total=720 Number of alignments=142 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 1 :MF 1pdo 2 :TI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVL 1pdo 11 :GWAAEQLLKTAEMLL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 62 :KKIRKGVVV 1pdo 26 :GEQENVGWI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.78793 Ang G1.O and K2.CG neighbor-bump: 2.70188 Ang G1.C and K2.CG T0187 78 :GPIDDF 1pdo 35 :DFVPGE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.03014 Ang I4.CG1 and F7.CZ other bump:1.88997 Ang I4.CG1 and F7.CE2 other bump:2.47354 Ang I4.CD1 and F7.CE2 other bump:2.37713 Ang I4.CG1 and F7.CD2 self-bump: 1.39146 Ang D6.CA and D6.CB self-bump: 2.21108 Ang D5.CB and D5.C self-bump: 1.26184 Ang D5.CA and D5.CB neighbor-bump: 1.95267 Ang G2.C and P3.CD neighbor-bump: 2.72868 Ang G2.C and P3.CG T0187 94 :D 1pdo 41 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 97 :TIKTTRRVLELVDQLN 1pdo 42 :AETLIEKYNAQLAKLD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.08051 Ang L10.O and D14.OD2 other bump:2.84489 Ang L10.C and D14.OD2 other bump:1.0117 Ang R7.O and E11.OE1 other bump:1.9375 Ang R7.C and E11.OE1 other bump:2.68895 Ang R8.CA and E11.OE1 other bump:1.92816 Ang R7.O and E11.CD other bump:2.81783 Ang R7.C and E11.CD other bump:2.64252 Ang K4.CG and R8.NH1 other bump:2.56986 Ang T2.O and T5.CG2 T0187 113 :ENDTVLFL 1pdo 59 :TKGVLFLV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.12575 Ang V6.CG1 and F8.CZ other bump:2.87053 Ang V6.CG1 and F8.CE1 neighbor-bump: 2.68656 Ang N3.C and D4.CG neighbor-bump: 1.98539 Ang N3.O and D4.CG neighbor-bump: 2.68631 Ang N3.C and D4.CB neighbor-bump: 2.24996 Ang N3.O and D4.CB self-bump: 2.12572 Ang N3.CB and N3.C T0187 121 :LSG 1pdo 90 :IAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 133 :LEGVSLEEIQKLTSAL 1pdo 106 :DDDPSFDELVALAVET Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.35339 Ang V5.CG2 and I10.CD1 other bump:1.98219 Ang V5.CG2 and I10.CG1 Number of specific fragments= 10 total=730 Number of alignments=143 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLF 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGSPF Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.82213 Ang L33.CD1 and F41.CA other bump:2.68765 Ang P3.CG and L40.CD2 other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 3 total=733 Number of alignments=144 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVA 1pdo 4 :AIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 124 :GGS 1pdo 70 :GGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 4 total=737 Number of alignments=145 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVAV 1pdo 4 :AIVIGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 46 :GKAAWRMAKAAYEVLGKKIRKGVV 1pdo 11 :GWAAEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.7317 Ang A5.CB and V24.CG2 neighbor-bump: 2.83538 Ang I20.CG2 and R21.CG other bump:2.43701 Ang Y13.OH and K19.C other bump:3.2573 Ang Y13.CZ and K19.C other bump:2.76527 Ang L16.CD1 and K19.NZ other bump:1.91988 Ang Y13.OH and K19.CB other bump:2.97753 Ang Y13.CE1 and K19.CB other bump:2.23333 Ang Y13.CZ and K19.CB other bump:2.84529 Ang Y13.CE2 and K19.CB other bump:2.37154 Ang Y13.OH and K19.CA other bump:2.65262 Ang Y13.CZ and K19.CA other bump:2.56719 Ang Y13.CE2 and K19.CA other bump:2.45738 Ang Y13.CZ and K19.N other bump:2.52869 Ang Y13.CD2 and K19.N other bump:1.63411 Ang Y13.CE2 and K19.N other bump:2.94422 Ang Y13.CD2 and K18.C other bump:2.60686 Ang Y13.CE2 and K18.C other bump:2.4933 Ang Y13.CD2 and K18.CA other bump:2.82394 Ang Y13.CE2 and K18.CA other bump:1.8437 Ang W6.CE2 and K10.NZ other bump:2.50077 Ang W6.NE1 and K10.NZ other bump:3.22667 Ang W6.CZ3 and K10.NZ other bump:1.42487 Ang W6.CZ2 and K10.NZ other bump:2.33828 Ang W6.CH2 and K10.NZ other bump:2.63866 Ang W6.CE2 and K10.CE other bump:2.49189 Ang W6.NE1 and K10.CE other bump:2.76902 Ang W6.CZ2 and K10.CE neighbor-bump: 3.14046 Ang W6.NE1 and R7.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLF 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGSPF Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.82213 Ang L33.CD1 and F41.CA other bump:2.68765 Ang P3.CG and L40.CD2 other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 3 total=740 Number of alignments=146 # Reading fragments from alignment file # T0187 read from T0187-1pdo-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 40 :VILVA 1pdo 4 :AIVIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 45 :VGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 10 :HGWAAEQLLKTAEMLLGEQENVGWI Fragment has 34 clashes (null) has 34 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.7317 Ang A6.CB and V25.CG2 neighbor-bump: 2.83538 Ang I21.CG2 and R22.CG other bump:2.43701 Ang Y14.OH and K20.C other bump:3.2573 Ang Y14.CZ and K20.C other bump:2.76527 Ang L17.CD1 and K20.NZ other bump:1.91988 Ang Y14.OH and K20.CB other bump:2.97753 Ang Y14.CE1 and K20.CB other bump:2.84529 Ang Y14.CE2 and K20.CB other bump:2.23333 Ang Y14.CZ and K20.CB other bump:2.37154 Ang Y14.OH and K20.CA other bump:2.56719 Ang Y14.CE2 and K20.CA other bump:2.65262 Ang Y14.CZ and K20.CA other bump:2.52869 Ang Y14.CD2 and K20.N other bump:1.63411 Ang Y14.CE2 and K20.N other bump:2.45738 Ang Y14.CZ and K20.N other bump:2.94422 Ang Y14.CD2 and K19.C other bump:2.60686 Ang Y14.CE2 and K19.C other bump:2.4933 Ang Y14.CD2 and K19.CA other bump:2.82394 Ang Y14.CE2 and K19.CA other bump:1.8437 Ang W7.CE2 and K11.NZ other bump:2.50077 Ang W7.NE1 and K11.NZ other bump:1.42487 Ang W7.CZ2 and K11.NZ other bump:3.22667 Ang W7.CZ3 and K11.NZ other bump:2.33828 Ang W7.CH2 and K11.NZ other bump:2.63866 Ang W7.CE2 and K11.CE other bump:2.49189 Ang W7.NE1 and K11.CE other bump:2.76902 Ang W7.CZ2 and K11.CE neighbor-bump: 3.14046 Ang W7.NE1 and R8.NH1 neighbor-bump: 2.98675 Ang V2.CG1 and G3.CA neighbor-bump: 2.47193 Ang V2.CB and G3.N neighbor-bump: 1.73606 Ang V2.CG1 and G3.N self-bump: 2.19651 Ang V2.CB and V2.C self-bump: 2.31195 Ang V2.CG1 and V2.C self-bump: 1.2422 Ang V2.CA and V2.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSG 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 2.21194 Ang D27.O and T28.CB neighbor-bump: 2.67096 Ang D27.C and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG T0187 124 :GGS 1pdo 70 :GGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 4 total=744 Number of alignments=147 # Reading fragments from alignment file # T0187 read from T0187-1pdo-local-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-local-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 92 :VPDENTIKTTRRVLELVDQLNENDTVLFLL 1pdo 37 :VPGENAETLIEKYNAQLAKLDTTKGVLFLV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.9451 Ang V14.CG1 and F29.CE2 other bump:2.73999 Ang E23.CD and V27.CG2 other bump:1.53299 Ang E23.OE1 and V27.CG2 other bump:2.87647 Ang E23.OE1 and V27.CB neighbor-bump: 2.59131 Ang D25.C and T26.CG2 neighbor-bump: 1.71036 Ang D25.O and T26.CG2 neighbor-bump: 2.67096 Ang D25.C and T26.CB neighbor-bump: 2.21194 Ang D25.O and T26.CB other bump:2.08051 Ang L15.O and D19.OD2 other bump:2.84489 Ang L15.C and D19.OD2 other bump:1.0117 Ang R12.O and E16.OE1 other bump:1.9375 Ang R12.C and E16.OE1 other bump:2.68895 Ang R13.CA and E16.OE1 other bump:1.92816 Ang R12.O and E16.CD other bump:2.81783 Ang R12.C and E16.CD other bump:2.64252 Ang K9.CG and R13.NH1 other bump:2.60024 Ang E5.CD and R13.NH1 other bump:2.46392 Ang E5.OE2 and R13.NH1 other bump:2.56986 Ang T7.O and T10.CG2 other bump:2.83653 Ang E5.CG and K9.CD self-bump: 1.39147 Ang D4.CA and D4.CB Number of specific fragments= 1 total=745 Number of alignments=148 # Reading fragments from alignment file # T0187 read from T0187-1pdo-local-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-local-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 49 :AWRMAKAAYEVLGKKIRKGVV 1pdo 14 :AEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.7317 Ang A2.CB and V21.CG2 neighbor-bump: 2.83538 Ang I17.CG2 and R18.CG other bump:2.43701 Ang Y10.OH and K16.C other bump:3.2573 Ang Y10.CZ and K16.C other bump:2.76527 Ang L13.CD1 and K16.NZ other bump:1.91988 Ang Y10.OH and K16.CB other bump:2.97753 Ang Y10.CE1 and K16.CB other bump:2.23333 Ang Y10.CZ and K16.CB other bump:2.84529 Ang Y10.CE2 and K16.CB other bump:2.37154 Ang Y10.OH and K16.CA other bump:2.65262 Ang Y10.CZ and K16.CA other bump:2.56719 Ang Y10.CE2 and K16.CA other bump:2.45738 Ang Y10.CZ and K16.N other bump:2.52869 Ang Y10.CD2 and K16.N other bump:1.63411 Ang Y10.CE2 and K16.N other bump:2.94422 Ang Y10.CD2 and K15.C other bump:2.60686 Ang Y10.CE2 and K15.C other bump:2.4933 Ang Y10.CD2 and K15.CA other bump:2.82394 Ang Y10.CE2 and K15.CA other bump:1.8437 Ang W3.CE2 and K7.NZ other bump:1.42487 Ang W3.CZ2 and K7.NZ other bump:3.22667 Ang W3.CZ3 and K7.NZ other bump:2.33828 Ang W3.CH2 and K7.NZ other bump:2.50077 Ang W3.NE1 and K7.NZ other bump:2.63866 Ang W3.CE2 and K7.CE other bump:2.76902 Ang W3.CZ2 and K7.CE other bump:2.49189 Ang W3.NE1 and K7.CE neighbor-bump: 3.14046 Ang W3.NE1 and R4.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 2 total=747 Number of alignments=149 # Reading fragments from alignment file # T0187 read from T0187-1pdo-simpleSW-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-simpleSW-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 92 :VPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFE 1pdo 37 :VPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGSPFN Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:2.82213 Ang L31.CD1 and F39.CA other bump:2.9451 Ang V14.CG1 and F29.CE2 other bump:2.73999 Ang E23.CD and V27.CG2 other bump:1.53299 Ang E23.OE1 and V27.CG2 other bump:2.87647 Ang E23.OE1 and V27.CB neighbor-bump: 2.59131 Ang D25.C and T26.CG2 neighbor-bump: 1.71036 Ang D25.O and T26.CG2 neighbor-bump: 2.67096 Ang D25.C and T26.CB neighbor-bump: 2.21194 Ang D25.O and T26.CB other bump:2.08051 Ang L15.O and D19.OD2 other bump:2.84489 Ang L15.C and D19.OD2 other bump:1.0117 Ang R12.O and E16.OE1 other bump:1.9375 Ang R12.C and E16.OE1 other bump:2.68895 Ang R13.CA and E16.OE1 other bump:1.92816 Ang R12.O and E16.CD other bump:2.81783 Ang R12.C and E16.CD other bump:2.64252 Ang K9.CG and R13.NH1 other bump:2.60024 Ang E5.CD and R13.NH1 other bump:2.46392 Ang E5.OE2 and R13.NH1 other bump:2.56986 Ang T7.O and T10.CG2 other bump:2.83653 Ang E5.CG and K9.CD self-bump: 1.39147 Ang D4.CA and D4.CB Number of specific fragments= 1 total=748 Number of alignments=150 # Reading fragments from alignment file # T0187 read from T0187-1pdo-simpleSW-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-simpleSW-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 42 :LVAVGKAAWRMAKAAYEVLGKKIRKGVV 1pdo 7 :IGTHGWAAEQLLKTAEMLLGEQENVGWI Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.13522 Ang V3.CG1 and V29.CG1 other bump:3.10679 Ang V3.CG2 and V29.CG1 other bump:2.7317 Ang A9.CB and V28.CG2 other bump:1.90097 Ang L2.CD1 and K26.NZ other bump:2.64705 Ang L2.CD1 and K26.CE neighbor-bump: 2.83538 Ang I24.CG2 and R25.CG other bump:2.43701 Ang Y17.OH and K23.C other bump:3.2573 Ang Y17.CZ and K23.C other bump:2.76527 Ang L20.CD1 and K23.NZ other bump:1.91988 Ang Y17.OH and K23.CB other bump:2.97753 Ang Y17.CE1 and K23.CB other bump:2.84529 Ang Y17.CE2 and K23.CB other bump:2.23333 Ang Y17.CZ and K23.CB other bump:2.37154 Ang Y17.OH and K23.CA other bump:2.56719 Ang Y17.CE2 and K23.CA other bump:2.65262 Ang Y17.CZ and K23.CA other bump:2.52869 Ang Y17.CD2 and K23.N other bump:1.63411 Ang Y17.CE2 and K23.N other bump:2.45738 Ang Y17.CZ and K23.N other bump:2.94422 Ang Y17.CD2 and K22.C other bump:2.60686 Ang Y17.CE2 and K22.C other bump:2.4933 Ang Y17.CD2 and K22.CA other bump:2.82394 Ang Y17.CE2 and K22.CA other bump:1.8437 Ang W10.CE2 and K14.NZ other bump:2.50077 Ang W10.NE1 and K14.NZ other bump:1.42487 Ang W10.CZ2 and K14.NZ other bump:3.22667 Ang W10.CZ3 and K14.NZ other bump:2.33828 Ang W10.CH2 and K14.NZ other bump:2.63866 Ang W10.CE2 and K14.CE other bump:2.49189 Ang W10.NE1 and K14.CE other bump:2.76902 Ang W10.CZ2 and K14.CE neighbor-bump: 3.14046 Ang W10.NE1 and R11.NH1 neighbor-bump: 2.98675 Ang V5.CG1 and G6.CA neighbor-bump: 2.47193 Ang V5.CB and G6.N neighbor-bump: 1.73606 Ang V5.CG1 and G6.N self-bump: 2.19651 Ang V5.CB and V5.C self-bump: 2.31195 Ang V5.CG1 and V5.C self-bump: 1.2422 Ang V5.CA and V5.CB T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSSLFE 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGSPFN Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.82213 Ang L33.CD1 and F41.CA other bump:2.68765 Ang P3.CG and L40.CD2 other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 2 total=750 Number of alignments=151 # Reading fragments from alignment file # T0187 read from T0187-1pdo-vit-adpstyle1.pw.a2m.gz # 1pdo read from T0187-1pdo-vit-adpstyle1.pw.a2m.gz # found chain 1pdo in template set T0187 92 :VPDENTIKTTRRVLELVDQLNENDTVLFLL 1pdo 37 :VPGENAETLIEKYNAQLAKLDTTKGVLFLV Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.9451 Ang V14.CG1 and F29.CE2 other bump:2.73999 Ang E23.CD and V27.CG2 other bump:1.53299 Ang E23.OE1 and V27.CG2 other bump:2.87647 Ang E23.OE1 and V27.CB neighbor-bump: 2.59131 Ang D25.C and T26.CG2 neighbor-bump: 1.71036 Ang D25.O and T26.CG2 neighbor-bump: 2.67096 Ang D25.C and T26.CB neighbor-bump: 2.21194 Ang D25.O and T26.CB other bump:2.08051 Ang L15.O and D19.OD2 other bump:2.84489 Ang L15.C and D19.OD2 other bump:1.0117 Ang R12.O and E16.OE1 other bump:1.9375 Ang R12.C and E16.OE1 other bump:2.68895 Ang R13.CA and E16.OE1 other bump:1.92816 Ang R12.O and E16.CD other bump:2.81783 Ang R12.C and E16.CD other bump:2.64252 Ang K9.CG and R13.NH1 other bump:2.60024 Ang E5.CD and R13.NH1 other bump:2.46392 Ang E5.OE2 and R13.NH1 other bump:2.56986 Ang T7.O and T10.CG2 other bump:2.83653 Ang E5.CG and K9.CD self-bump: 1.39147 Ang D4.CA and D4.CB Number of specific fragments= 1 total=751 Number of alignments=152 # Reading fragments from alignment file # T0187 read from T0187-1pdo-vit-adpstyle5.pw.a2m.gz # 1pdo read from T0187-1pdo-vit-adpstyle5.pw.a2m.gz # found chain 1pdo in template set T0187 49 :AWRMAKAAYEVLGKKIRKGVV 1pdo 14 :AEQLLKTAEMLLGEQENVGWI Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.7317 Ang A2.CB and V21.CG2 neighbor-bump: 2.83538 Ang I17.CG2 and R18.CG other bump:2.43701 Ang Y10.OH and K16.C other bump:3.2573 Ang Y10.CZ and K16.C other bump:2.76527 Ang L13.CD1 and K16.NZ other bump:1.91988 Ang Y10.OH and K16.CB other bump:2.97753 Ang Y10.CE1 and K16.CB other bump:2.23333 Ang Y10.CZ and K16.CB other bump:2.84529 Ang Y10.CE2 and K16.CB other bump:2.37154 Ang Y10.OH and K16.CA other bump:2.65262 Ang Y10.CZ and K16.CA other bump:2.56719 Ang Y10.CE2 and K16.CA other bump:2.45738 Ang Y10.CZ and K16.N other bump:2.52869 Ang Y10.CD2 and K16.N other bump:1.63411 Ang Y10.CE2 and K16.N other bump:2.94422 Ang Y10.CD2 and K15.C other bump:2.60686 Ang Y10.CE2 and K15.C other bump:2.4933 Ang Y10.CD2 and K15.CA other bump:2.82394 Ang Y10.CE2 and K15.CA other bump:1.8437 Ang W3.CE2 and K7.NZ other bump:1.42487 Ang W3.CZ2 and K7.NZ other bump:3.22667 Ang W3.CZ3 and K7.NZ other bump:2.33828 Ang W3.CH2 and K7.NZ other bump:2.50077 Ang W3.NE1 and K7.NZ other bump:2.63866 Ang W3.CE2 and K7.CE other bump:2.76902 Ang W3.CZ2 and K7.CE other bump:2.49189 Ang W3.NE1 and K7.CE neighbor-bump: 3.14046 Ang W3.NE1 and R4.NH1 T0187 90 :HPVPDENTIKTTRRVLELVDQLNENDTVLFLLSGGGSS 1pdo 35 :DFVPGENAETLIEKYNAQLAKLDTTKGVLFLVDTWGGS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.9451 Ang V16.CG1 and F31.CE2 other bump:2.73999 Ang E25.CD and V29.CG2 other bump:1.53299 Ang E25.OE1 and V29.CG2 other bump:2.87647 Ang E25.OE1 and V29.CB neighbor-bump: 2.59131 Ang D27.C and T28.CG2 neighbor-bump: 1.71036 Ang D27.O and T28.CG2 neighbor-bump: 2.67096 Ang D27.C and T28.CB neighbor-bump: 2.21194 Ang D27.O and T28.CB other bump:2.08051 Ang L17.O and D21.OD2 other bump:2.84489 Ang L17.C and D21.OD2 other bump:1.0117 Ang R14.O and E18.OE1 other bump:1.9375 Ang R14.C and E18.OE1 other bump:2.68895 Ang R15.CA and E18.OE1 other bump:1.92816 Ang R14.O and E18.CD other bump:2.81783 Ang R14.C and E18.CD other bump:2.64252 Ang K11.CG and R15.NH1 other bump:2.60024 Ang E7.CD and R15.NH1 other bump:2.46392 Ang E7.OE2 and R15.NH1 other bump:2.56986 Ang T9.O and T12.CG2 other bump:2.83653 Ang E7.CG and K11.CD self-bump: 1.39147 Ang D6.CA and D6.CB neighbor-bump: 1.95267 Ang H2.C and P3.CD neighbor-bump: 2.72867 Ang H2.C and P3.CG Number of specific fragments= 2 total=753 Number of alignments=153 # Prefix for input files set to 1bd3A/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1bd3A-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1bd3A read from 1bd3A-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 1 :MFDPESLKKLAIEIVKKSIEAVFPDRAVKETLPKLNL 1bd3A 39 :MKQTAQLRAMMTIIRDKETPKEEFVFYADRLIRLLIE Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:3.08538 Ang A21.CA and P24.CD other bump:2.83122 Ang A21.C and P24.CD other bump:1.39727 Ang E20.O and P24.CD other bump:2.50988 Ang E20.C and P24.CD other bump:3.12167 Ang I19.CG2 and P24.CG other bump:2.2962 Ang E20.O and P24.CG other bump:2.98122 Ang E20.C and P24.CG other bump:3.0415 Ang I14.N and I19.CD1 other bump:0.863323 Ang E13.O and I19.CD1 other bump:1.93207 Ang E13.C and I19.CD1 other bump:2.74703 Ang E13.CA and I19.CD1 other bump:2.71497 Ang K16.CD and S18.OG other bump:2.26397 Ang K16.CE and S18.OG other bump:2.77542 Ang D3.CB and K8.NZ other bump:1.83025 Ang F2.O and P4.CD other bump:2.61992 Ang F2.C and P4.CD T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPID 1bd3A 103 :SKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAEPKL Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.54507 Ang Y37.CG and S40.OG other bump:2.37035 Ang Y37.CD2 and S40.OG other bump:2.51254 Ang Y37.CB and S40.OG other bump:3.15329 Ang Y37.CD2 and S40.CB other bump:2.74415 Ang Y37.CD2 and S40.N other bump:3.10417 Ang V7.CG1 and K30.CD other bump:2.57251 Ang W14.CZ3 and R29.NH2 other bump:2.43406 Ang W14.CE3 and R29.NH2 other bump:2.75654 Ang A17.CB and R29.NH2 other bump:3.32232 Ang W14.CZ3 and R29.CZ other bump:2.89347 Ang A17.CB and R29.CZ other bump:2.63982 Ang A17.CB and R29.NE other bump:2.87745 Ang Y21.CD1 and R29.CD other bump:1.75088 Ang Y21.CE1 and R29.CD other bump:2.23436 Ang Y21.CZ and R29.CD other bump:2.39782 Ang Y21.OH and R29.CD other bump:2.19667 Ang Y21.CE1 and R29.CG other bump:2.14824 Ang Y21.OH and R29.CG other bump:2.47499 Ang Y21.OH and R29.CB other bump:1.82118 Ang L24.CG and K27.NZ other bump:2.17442 Ang L24.CD1 and K27.NZ other bump:2.61644 Ang L24.CD2 and K27.NZ other bump:1.9248 Ang L24.CG and K27.CE other bump:2.28644 Ang L24.CD1 and K27.CE other bump:1.71217 Ang L24.CD2 and K27.CE other bump:2.53463 Ang L24.CG and K27.CD other bump:1.60495 Ang L24.CD2 and K27.CD other bump:2.7794 Ang L24.CB and K27.CG other bump:2.27493 Ang L24.CG and K27.CG other bump:1.56981 Ang L24.CD2 and K27.CG other bump:2.93313 Ang L24.CD2 and K27.CB other bump:2.48447 Ang L6.CD1 and A20.CB other bump:2.69349 Ang G10.CA and W14.NE1 other bump:3.02654 Ang K11.CA and W14.CD1 other bump:3.23411 Ang A8.C and A13.CB other bump:2.34328 Ang V9.N and A13.CB other bump:3.14823 Ang V9.CA and A13.CB other bump:2.6223 Ang V9.O and A13.CB other bump:3.11459 Ang V9.C and A13.CB neighbor-bump: 2.36578 Ang V4.O and I5.CG2 other bump:2.51682 Ang D2.OD2 and V4.CG2 T0187 85 :IYEAGHP 1bd3A 147 :IYEKLPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 92 :VPDE 1bd3A 155 :IRER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 96 :NTIKTTRRVLE 1bd3A 171 :GSVCKAIEVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 107 :LVDQLNENDTVLFLLSGGGSSLFELPLEGVSLEEIQKLTSALL 1bd3A 201 :GIERVFKEYPKVRMVTAAVDICLNSRYYIVPGIGDFGDRYFGT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues neighbor-bump: 2.18268 Ang E34.O and E35.CG neighbor-bump: 2.83606 Ang E34.C and E35.CG neighbor-bump: 1.83571 Ang E34.O and E35.CB neighbor-bump: 2.39317 Ang E34.C and E35.CB neighbor-bump: 2.39458 Ang L33.CB and E34.N self-bump: 2.21328 Ang L33.CB and L33.C other bump:2.74236 Ang G30.CA and L33.CD1 other bump:3.16785 Ang G30.CA and L33.CG other bump:3.13802 Ang G30.C and L33.CG self-bump: 1.33925 Ang L33.CA and L33.CB neighbor-bump: 2.07623 Ang S22.O and L23.CD1 other bump:2.42556 Ang N7.O and T11.CG2 Number of specific fragments= 6 total=759 Number of alignments=154 # Reading fragments from alignment file # T0187 read from 1bd3A-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1bd3A read from 1bd3A-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 3 :DPESLKKLAIEIVKKS 1bd3A 41 :QTAQLRAMMTIIRDKE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.71495 Ang K15.CD and S17.OG other bump:2.26396 Ang K15.CE and S17.OG other bump:2.77542 Ang D2.CB and K7.NZ other bump:1.83025 Ang G1.O and P3.CD other bump:2.61992 Ang G1.C and P3.CD T0187 19 :IEAVFPDRAV 1bd3A 66 :ADRLIRLLIE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.26011 Ang I2.CG2 and F6.CE1 T0187 29 :KETLPK 1bd3A 78 :LNELPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 36 :NLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 101 :FYSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:2.59555 Ang Y39.CG and S42.OG other bump:2.58553 Ang Y39.CD2 and S42.OG other bump:2.30257 Ang Y39.CB and S42.OG other bump:2.90805 Ang Y39.CD2 and S42.CB other bump:2.74415 Ang Y39.CD2 and S42.N other bump:3.10417 Ang V9.CG1 and K32.CD other bump:2.57251 Ang W16.CZ3 and R31.NH2 other bump:2.43406 Ang W16.CE3 and R31.NH2 other bump:2.75654 Ang A19.CB and R31.NH2 other bump:3.32232 Ang W16.CZ3 and R31.CZ other bump:2.89347 Ang A19.CB and R31.CZ other bump:2.63982 Ang A19.CB and R31.NE other bump:2.87745 Ang Y23.CD1 and R31.CD other bump:1.75088 Ang Y23.CE1 and R31.CD other bump:2.23436 Ang Y23.CZ and R31.CD other bump:2.39782 Ang Y23.OH and R31.CD other bump:2.19667 Ang Y23.CE1 and R31.CG other bump:2.14824 Ang Y23.OH and R31.CG other bump:2.47499 Ang Y23.OH and R31.CB other bump:1.82118 Ang L26.CG and K29.NZ other bump:2.17442 Ang L26.CD1 and K29.NZ other bump:2.61644 Ang L26.CD2 and K29.NZ other bump:1.9248 Ang L26.CG and K29.CE other bump:2.28644 Ang L26.CD1 and K29.CE other bump:1.71217 Ang L26.CD2 and K29.CE other bump:2.53463 Ang L26.CG and K29.CD other bump:1.60495 Ang L26.CD2 and K29.CD other bump:2.7794 Ang L26.CB and K29.CG other bump:2.27493 Ang L26.CG and K29.CG other bump:1.56981 Ang L26.CD2 and K29.CG other bump:2.93313 Ang L26.CD2 and K29.CB other bump:2.48447 Ang L8.CD1 and A22.CB other bump:2.69349 Ang G12.CA and W16.NE1 other bump:3.02654 Ang K13.CA and W16.CD1 other bump:3.23411 Ang A10.C and A15.CB other bump:2.34328 Ang V11.N and A15.CB other bump:3.14823 Ang V11.CA and A15.CB other bump:2.6223 Ang V11.O and A15.CB other bump:3.11459 Ang V11.C and A15.CB neighbor-bump: 2.36578 Ang V6.O and I7.CG2 other bump:2.51681 Ang D4.OD2 and V6.CG2 T0187 85 :IYEAGHP 1bd3A 147 :IYEKLPA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 92 :VPDENT 1bd3A 155 :IRERWV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 98 :IKTTRRVLELVDQLNENDTV 1bd3A 167 :CATAGSVCKAIEVLLRLGVK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.72187 Ang L15.C and T20.OG1 neighbor-bump: 1.42408 Ang T4.O and T5.OG1 neighbor-bump: 2.20325 Ang T4.C and T5.OG1 self-bump: 1.33454 Ang K3.CA and K3.CB T0187 118 :LFLLS 1bd3A 193 :VNILA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.79702 Ang L5.CD2 and S6.N self-bump: 1.39501 Ang L4.CA and L4.CB T0187 123 :GGGSSLFELPLEG 1bd3A 212 :VRMVTAAVDICLN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.07623 Ang P11.O and L12.CD1 T0187 136 :VS 1bd3A 236 :FG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 10 total=769 Number of alignments=155 # Reading fragments from alignment file # T0187 read from 1bd3A-T0187-local-adpstyle1.pw.a2m.gz # 1bd3A read from 1bd3A-T0187-local-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 31 :TLPKLNLDRVILVAVGKAAWRMAKAAYEVLGK 1bd3A 96 :YHGVSFYSKICGVSIVRAGESMESGLRAVCRG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.48447 Ang L13.CD1 and A27.CB other bump:2.69349 Ang G17.CA and W21.NE1 other bump:3.02654 Ang K18.CA and W21.CD1 other bump:3.23411 Ang A15.C and A20.CB other bump:3.11459 Ang V16.C and A20.CB other bump:2.34328 Ang V16.N and A20.CB other bump:3.14823 Ang V16.CA and A20.CB other bump:2.6223 Ang V16.O and A20.CB neighbor-bump: 2.36578 Ang V11.O and I12.CG2 other bump:2.51681 Ang D9.OD2 and V11.CG2 self-bump: 1.39599 Ang P4.N and P4.CD Number of specific fragments= 1 total=770 Number of alignments=156 # Reading fragments from alignment file # T0187 read from 1bd3A-T0187-local-adpstyle5.pw.a2m.gz # 1bd3A read from 1bd3A-T0187-local-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 7 :LKKLAIEIVKKSIEAVFPDRAVKET 1bd3A 62 :FVFYADRLIRLLIEEALNELPFQKK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.13028 Ang K24.CB and E25.N neighbor-bump: 2.30078 Ang F18.N and P19.CD self-bump: 1.3396 Ang P19.N and P19.CD other bump:2.7038 Ang V17.C and P19.CD other bump:2.47989 Ang E15.O and P19.CD other bump:2.11653 Ang A16.O and P19.CD other bump:2.70485 Ang A16.C and P19.CD self-bump: 2.19933 Ang P19.N and P19.CG other bump:2.25722 Ang A16.O and P19.CG other bump:3.04864 Ang A16.C and P19.CG other bump:3.10169 Ang I14.CG2 and F18.CZ other bump:2.38902 Ang I14.CG2 and F18.CE1 other bump:2.55717 Ang I14.O and F18.CD1 T0187 32 :LPKLNLDRVILVAVGKAAWRMAKAAYEVLG 1bd3A 97 :HGVSFYSKICGVSIVRAGESMESGLRAVCR Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.48447 Ang L12.CD1 and A26.CB other bump:2.69349 Ang G16.CA and W20.NE1 other bump:3.02654 Ang K17.CA and W20.CD1 other bump:3.23411 Ang A14.C and A19.CB other bump:2.34328 Ang V15.N and A19.CB other bump:3.14823 Ang V15.CA and A19.CB other bump:3.11459 Ang V15.C and A19.CB other bump:2.6223 Ang V15.O and A19.CB neighbor-bump: 2.36578 Ang V10.O and I11.CG2 other bump:2.51681 Ang D8.OD2 and V10.CG2 self-bump: 1.39598 Ang P3.N and P3.CD T0187 63 :KIRKGVVVTKYGHS 1bd3A 127 :GVRIGKILIQRDET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 3 total=773 Number of alignments=157 # Reading fragments from alignment file # T0187 read from 1bd3A-T0187-vit-adpstyle1.pw.a2m.gz # 1bd3A read from 1bd3A-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 31 :TLPKLNLDRVILVAVGKAAWRMAKAAYEVLGK 1bd3A 96 :YHGVSFYSKICGVSIVRAGESMESGLRAVCRG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.48447 Ang L13.CD1 and A27.CB other bump:2.69349 Ang G17.CA and W21.NE1 other bump:3.02654 Ang K18.CA and W21.CD1 other bump:3.23411 Ang A15.C and A20.CB other bump:3.11459 Ang V16.C and A20.CB other bump:2.34328 Ang V16.N and A20.CB other bump:3.14823 Ang V16.CA and A20.CB other bump:2.6223 Ang V16.O and A20.CB neighbor-bump: 2.36578 Ang V11.O and I12.CG2 other bump:2.51681 Ang D9.OD2 and V11.CG2 self-bump: 1.39599 Ang P4.N and P4.CD Number of specific fragments= 1 total=774 Number of alignments=158 # Reading fragments from alignment file # T0187 read from 1bd3A-T0187-vit-adpstyle5.pw.a2m.gz # 1bd3A read from 1bd3A-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 7 :LKKLAIEIVKKSIEAVFPDRAVKET 1bd3A 62 :FVFYADRLIRLLIEEALNELPFQKK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.13028 Ang K24.CB and E25.N neighbor-bump: 2.30078 Ang F18.N and P19.CD self-bump: 1.3396 Ang P19.N and P19.CD other bump:2.7038 Ang V17.C and P19.CD other bump:2.47989 Ang E15.O and P19.CD other bump:2.11653 Ang A16.O and P19.CD other bump:2.70485 Ang A16.C and P19.CD self-bump: 2.19933 Ang P19.N and P19.CG other bump:2.25722 Ang A16.O and P19.CG other bump:3.04864 Ang A16.C and P19.CG other bump:3.10169 Ang I14.CG2 and F18.CZ other bump:2.38902 Ang I14.CG2 and F18.CE1 other bump:2.55717 Ang I14.O and F18.CD1 T0187 32 :LPKLNLDRVILVAVGKAAWRMAKAAYEVLG 1bd3A 97 :HGVSFYSKICGVSIVRAGESMESGLRAVCR Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.48447 Ang L12.CD1 and A26.CB other bump:2.69349 Ang G16.CA and W20.NE1 other bump:3.02654 Ang K17.CA and W20.CD1 other bump:3.23411 Ang A14.C and A19.CB other bump:2.34328 Ang V15.N and A19.CB other bump:3.14823 Ang V15.CA and A19.CB other bump:3.11459 Ang V15.C and A19.CB other bump:2.6223 Ang V15.O and A19.CB neighbor-bump: 2.36578 Ang V10.O and I11.CG2 other bump:2.51681 Ang D8.OD2 and V10.CG2 self-bump: 1.39598 Ang P3.N and P3.CD T0187 63 :KIRKGVVVTKYGHS 1bd3A 127 :GVRIGKILIQRDET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 3 total=777 Number of alignments=159 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 T0187 129 :FELP 1bd3A 196 :LAAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 139 :EEIQKLTSALLK 1bd3A 200 :QGIERVFKEYPK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.24801 Ang T8.O and L12.CD2 Number of specific fragments= 6 total=783 Number of alignments=160 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDF 1bd3A 153 :ADIRERW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.80009 Ang G1.O and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD other bump:2.68579 Ang G1.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 85 :IYEAGHPVPDENTIKTTRRVLELV 1bd3A 160 :VMLLDPMCATAGSVCKAIEVLLRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.56157 Ang L22.O and V25.CG2 other bump:2.76716 Ang R20.NH1 and L24.CD1 other bump:2.60919 Ang V9.CG2 and I15.CD1 other bump:2.91605 Ang V9.CG1 and E12.CG self-bump: 2.10347 Ang P10.CA and P10.CG self-bump: 1.26335 Ang P10.CA and P10.CB neighbor-bump: 2.82976 Ang H7.CB and P8.CD T0187 110 :QLNENDTVLFLLS 1bd3A 184 :GVKEERIIFVNIL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.38859 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 T0187 130 :ELP 1bd3A 197 :AAP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 139 :EEIQKLTSA 1bd3A 200 :QGIERVFKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 7 total=790 Number of alignments=161 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 7 :LKKLAIEIVKKSI 1bd3A 66 :ADRLIRLLIEEAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 30 :ETLPKLN 1bd3A 79 :NELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.081 Ang L7.CB and N8.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAE Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.54507 Ang Y38.CG and S41.OG other bump:2.37035 Ang Y38.CD2 and S41.OG other bump:2.51254 Ang Y38.CB and S41.OG other bump:3.15329 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 82 :DFEIYEA 1bd3A 144 :PKLIYEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 4 total=794 Number of alignments=162 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 6 :SLKKLAIEIVKKSIE 1bd3A 65 :YADRLIRLLIEEALN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 31 :TLPKLN 1bd3A 80 :ELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.081 Ang L6.CB and N7.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDF 1bd3A 153 :ADIRERW Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.80009 Ang G1.O and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD other bump:2.68579 Ang G1.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 85 :IYEAGHPVPDENTIKTTRRVLELV 1bd3A 160 :VMLLDPMCATAGSVCKAIEVLLRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.56157 Ang L22.O and V25.CG2 other bump:2.76716 Ang R20.NH1 and L24.CD1 other bump:2.60919 Ang V9.CG2 and I15.CD1 other bump:2.91605 Ang V9.CG1 and E12.CG self-bump: 2.10347 Ang P10.CA and P10.CG self-bump: 1.26335 Ang P10.CA and P10.CB neighbor-bump: 2.82976 Ang H7.CB and P8.CD T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 Number of specific fragments= 6 total=800 Number of alignments=163 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLLS 1bd3A 184 :GVKEERIIFVNIL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.38859 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 T0187 136 :VSLEEIQKLTSALLK 1bd3A 197 :AAPQGIERVFKEYPK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.24801 Ang T11.O and L15.CD2 other bump:2.94437 Ang V2.CG2 and I7.CG1 Number of specific fragments= 5 total=805 Number of alignments=164 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 85 :IYEAGHPVPDENTIKTTRRVLELV 1bd3A 160 :VMLLDPMCATAGSVCKAIEVLLRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.56157 Ang L22.O and V25.CG2 other bump:2.76716 Ang R20.NH1 and L24.CD1 other bump:2.60919 Ang V9.CG2 and I15.CD1 other bump:2.91605 Ang V9.CG1 and E12.CG self-bump: 2.10347 Ang P10.CA and P10.CG self-bump: 1.26335 Ang P10.CA and P10.CB neighbor-bump: 2.82976 Ang H7.CB and P8.CD T0187 110 :QLNENDTVLFLLSG 1bd3A 184 :GVKEERIIFVNILA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues self-bump: 1.38859 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 T0187 137 :SLEEIQKLTSA 1bd3A 198 :APQGIERVFKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 5 total=810 Number of alignments=165 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 52 :MAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 117 :MESGLRAVCRGVRIGKILIQRDETT Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.59555 Ang Y23.CG and S26.OG other bump:2.58553 Ang Y23.CD2 and S26.OG other bump:2.30257 Ang Y23.CB and S26.OG other bump:2.90805 Ang Y23.CD2 and S26.CB other bump:2.74415 Ang Y23.CD2 and S26.N other bump:2.75654 Ang A3.CB and R15.NH2 other bump:2.89347 Ang A3.CB and R15.CZ other bump:2.63982 Ang A3.CB and R15.NE other bump:2.39782 Ang Y7.OH and R15.CD other bump:2.87745 Ang Y7.CD1 and R15.CD other bump:1.75088 Ang Y7.CE1 and R15.CD other bump:2.23436 Ang Y7.CZ and R15.CD other bump:2.14824 Ang Y7.OH and R15.CG other bump:2.19667 Ang Y7.CE1 and R15.CG other bump:2.47499 Ang Y7.OH and R15.CB other bump:1.82118 Ang L10.CG and K13.NZ other bump:2.17442 Ang L10.CD1 and K13.NZ other bump:2.61644 Ang L10.CD2 and K13.NZ other bump:1.9248 Ang L10.CG and K13.CE other bump:2.28644 Ang L10.CD1 and K13.CE other bump:1.71217 Ang L10.CD2 and K13.CE other bump:2.53463 Ang L10.CG and K13.CD other bump:1.60495 Ang L10.CD2 and K13.CD other bump:2.27493 Ang L10.CG and K13.CG other bump:1.56981 Ang L10.CD2 and K13.CG other bump:2.7794 Ang L10.CB and K13.CG other bump:2.93313 Ang L10.CD2 and K13.CB T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 Number of specific fragments= 3 total=813 Number of alignments=166 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 7 :LKKLAIEIVK 1bd3A 66 :ADRLIRLLIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 30 :ETLPKLN 1bd3A 76 :EALNELP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.7038 Ang T3.C and P5.CD neighbor-bump: 2.30078 Ang L4.N and P5.CD self-bump: 1.3396 Ang P5.N and P5.CD other bump:2.47988 Ang G1.O and P5.CD other bump:2.70485 Ang E2.C and P5.CD other bump:2.11653 Ang E2.O and P5.CD self-bump: 2.19934 Ang P5.N and P5.CG other bump:3.04863 Ang E2.C and P5.CG other bump:2.25722 Ang E2.O and P5.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 85 :IYEAGHPVPDENTIKTTRRVLELV 1bd3A 160 :VMLLDPMCATAGSVCKAIEVLLRL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.56157 Ang L22.O and V25.CG2 other bump:2.76716 Ang R20.NH1 and L24.CD1 other bump:2.60919 Ang V9.CG2 and I15.CD1 other bump:2.91605 Ang V9.CG1 and E12.CG self-bump: 2.10347 Ang P10.CA and P10.CG self-bump: 1.26335 Ang P10.CA and P10.CB neighbor-bump: 2.82976 Ang H7.CB and P8.CD T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 Number of specific fragments= 5 total=818 Number of alignments=167 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 T0187 138 :LEEIQKLTSALLK 1bd3A 196 :LAAPQGIERVFKE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.05088 Ang E3.CD and L8.CD2 other bump:1.90204 Ang E3.OE2 and L8.CD2 neighbor-bump: 2.79702 Ang L2.CD2 and E3.N Number of specific fragments= 5 total=823 Number of alignments=168 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 24 :PDRAVKETLPKLN 1bd3A 22 :EESILQDIITRFP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.09421 Ang E8.CD and K12.CD other bump:2.02882 Ang E8.OE2 and K12.CD other bump:2.92908 Ang E8.C and P11.CD other bump:1.39854 Ang K7.O and P11.CD other bump:2.4745 Ang K7.C and P11.CD neighbor-bump: 2.67257 Ang L10.N and P11.CD other bump:1.61903 Ang K7.O and P11.CG other bump:2.77631 Ang K7.C and P11.CG T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EG 1bd3A 153 :AD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 80 :IDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 155 :IRERWVMLLDPMCATAGSVCKAIEVLLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76716 Ang R25.NH1 and L29.CD1 other bump:2.60919 Ang V14.CG2 and I20.CD1 other bump:2.91605 Ang V14.CG1 and E17.CG self-bump: 2.10347 Ang P15.CA and P15.CG self-bump: 1.26335 Ang P15.CA and P15.CB neighbor-bump: 2.82976 Ang H12.CB and P13.CD other bump:2.45838 Ang G1.O and F5.CE1 other bump:2.96925 Ang G1.C and F5.CE1 other bump:2.46885 Ang G1.O and F5.CD1 T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB T0187 137 :SLEEIQKLTSAL 1bd3A 198 :APQGIERVFKEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 6 total=829 Number of alignments=169 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIV 1bd3A 40 :KQTAQLRAMMTIIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.77542 Ang D3.CB and K8.NZ other bump:1.83025 Ang F2.O and P4.CD other bump:2.61991 Ang F2.C and P4.CD T0187 16 :KKSIEAVFPDRAV 1bd3A 60 :EEFVFYADRLIRL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.33952 Ang F9.CE1 and R12.NH2 other bump:2.07917 Ang F9.CD1 and R12.NH2 other bump:1.97663 Ang V8.CG1 and R12.NH1 other bump:2.64791 Ang V8.CG1 and R12.CZ T0187 29 :KETLPKLN 1bd3A 78 :LNELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.081 Ang L8.CB and N9.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAE Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.54507 Ang Y38.CG and S41.OG other bump:2.37035 Ang Y38.CD2 and S41.OG other bump:2.51254 Ang Y38.CB and S41.OG other bump:3.15329 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 83 :FEIYEAGHP 1bd3A 144 :PKLIYEKLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 92 :VPDENTIKTTRRVLE 1bd3A 168 :ATAGSVCKAIEVLLR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.18578 Ang R12.NH1 and E16.OE2 other bump:1.71583 Ang K9.NZ and R12.NH2 other bump:2.63769 Ang K9.CE and R12.NH2 other bump:2.71898 Ang K9.NZ and R12.CZ other bump:3.12792 Ang K9.CE and R12.CZ other bump:2.84609 Ang K9.CE and R12.NE self-bump: 1.36925 Ang P3.N and P3.CD neighbor-bump: 2.31231 Ang V2.CB and P3.CD neighbor-bump: 2.57858 Ang V2.CG1 and P3.CD self-bump: 1.38479 Ang V2.CA and V2.CB T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB T0187 137 :SLEEIQKLTSA 1bd3A 198 :APQGIERVFKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 8 total=837 Number of alignments=170 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIV 1bd3A 40 :KQTAQLRAMMTIIR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.77542 Ang D3.CB and K8.NZ other bump:1.83025 Ang F2.O and P4.CD other bump:2.61991 Ang F2.C and P4.CD T0187 16 :KKSIEAVFP 1bd3A 60 :EEFVFYADR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 25 :DRAVKETLPKLN 1bd3A 74 :IEEALNELPFQK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.081 Ang L12.CB and N13.N other bump:2.4224 Ang R3.NH1 and K6.CD T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKI 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVR Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.81016 Ang I6.CB and I29.CG2 other bump:2.05894 Ang I6.CG2 and I29.CG2 other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.7794 Ang L25.CB and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 66 :KGVVVT 1bd3A 130 :IGKILI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 72 :KYGHS 1bd3A 138 :DETTA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.5041 Ang K2.CE and H5.NE2 other bump:1.83302 Ang K2.NZ and H5.NE2 other bump:2.00416 Ang K2.CD and H5.CD2 other bump:2.05829 Ang K2.CE and H5.CD2 other bump:1.98445 Ang K2.NZ and H5.CD2 other bump:2.83653 Ang K2.CD and H5.CG T0187 78 :G 1bd3A 143 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 83 :FEIYEAGHP 1bd3A 144 :PKLIYEKLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 92 :VPDENTIKTTRRVLE 1bd3A 168 :ATAGSVCKAIEVLLR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.18578 Ang R12.NH1 and E16.OE2 other bump:1.71583 Ang K9.NZ and R12.NH2 other bump:2.63769 Ang K9.CE and R12.NH2 other bump:2.71898 Ang K9.NZ and R12.CZ other bump:3.12792 Ang K9.CE and R12.CZ other bump:2.84609 Ang K9.CE and R12.NE self-bump: 1.36925 Ang P3.N and P3.CD neighbor-bump: 2.31231 Ang V2.CB and P3.CD neighbor-bump: 2.57858 Ang V2.CG1 and P3.CD self-bump: 1.38479 Ang V2.CA and V2.CB T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB T0187 137 :SLEEIQKLTSA 1bd3A 198 :APQGIERVFKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 11 total=848 Number of alignments=171 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIVKKSIEAV 1bd3A 57 :TPKEEFVFYADRLIRLLIEEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 29 :KETLPKLN 1bd3A 78 :LNELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.081 Ang L8.CB and N9.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 Number of specific fragments= 5 total=853 Number of alignments=172 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 6 :SLKKLAIEIVKKSIE 1bd3A 65 :YADRLIRLLIEEALN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 31 :TLPKLN 1bd3A 80 :ELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.081 Ang L6.CB and N7.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EG 1bd3A 153 :AD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 80 :IDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 155 :IRERWVMLLDPMCATAGSVCKAIEVLLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76716 Ang R25.NH1 and L29.CD1 other bump:2.60919 Ang V14.CG2 and I20.CD1 other bump:2.91605 Ang V14.CG1 and E17.CG self-bump: 2.10347 Ang P15.CA and P15.CG self-bump: 1.26335 Ang P15.CA and P15.CB neighbor-bump: 2.82976 Ang H12.CB and P13.CD other bump:2.45838 Ang G1.O and F5.CE1 other bump:2.96925 Ang G1.C and F5.CE1 other bump:2.46885 Ang G1.O and F5.CD1 T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB Number of specific fragments= 6 total=859 Number of alignments=173 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 2 :FDPESLKKLAIEIVKKSIEAV 1bd3A 57 :TPKEEFVFYADRLIRLLIEEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues T0187 29 :KETLPKLN 1bd3A 78 :LNELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.081 Ang L8.CB and N9.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EGPIDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 153 :ADIRERWVMLLDPMCATAGSVCKAIEVLLRL Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.42223 Ang I5.CD1 and L32.O other bump:2.27041 Ang I5.CG1 and L32.O other bump:2.81353 Ang R27.CZ and E31.OE2 other bump:2.19376 Ang R27.NH1 and E31.OE2 other bump:2.75642 Ang R27.CG and E31.OE2 other bump:2.68519 Ang R27.NH1 and E31.CD other bump:2.63769 Ang K24.CE and R27.NH2 other bump:1.71583 Ang K24.NZ and R27.NH2 other bump:3.12792 Ang K24.CE and R27.CZ other bump:2.71898 Ang K24.NZ and R27.CZ other bump:2.84609 Ang K24.CE and R27.NE other bump:2.51186 Ang Y11.CE1 and T25.OG1 other bump:2.50521 Ang Y11.OH and T25.OG1 other bump:2.47284 Ang Y11.CE1 and T25.CG2 other bump:1.88564 Ang Y11.CZ and T25.CG2 other bump:1.72718 Ang Y11.OH and T25.CG2 other bump:2.72812 Ang Y11.CE2 and T25.CG2 other bump:2.99203 Ang Y11.CE1 and T25.CB other bump:2.74604 Ang Y11.CZ and T25.CB other bump:2.01058 Ang Y11.OH and T25.CB self-bump: 1.36926 Ang P18.N and P18.CD neighbor-bump: 2.3106 Ang V17.CB and P18.CD neighbor-bump: 2.46871 Ang V17.CG1 and P18.CD self-bump: 1.39164 Ang V17.CA and V17.CB neighbor-bump: 1.8554 Ang H15.C and P16.CD neighbor-bump: 2.54307 Ang H15.C and P16.CG other bump:1.80009 Ang G1.O and P4.CD other bump:2.68579 Ang G1.C and P4.CD other bump:3.29482 Ang E2.CA and P4.CD other bump:2.55687 Ang E2.C and P4.CD neighbor-bump: 2.36063 Ang G3.N and P4.CD other bump:1.74182 Ang G1.O and P4.CG other bump:2.7627 Ang G1.C and P4.CG T0187 110 :QLNENDTVLFLL 1bd3A 184 :GVKEERIIFVNI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.3886 Ang L13.CA and L13.CB other bump:2.94921 Ang L10.CD2 and L12.CD1 Number of specific fragments= 5 total=864 Number of alignments=174 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 6 :SLKKLAIEIVKKSIE 1bd3A 65 :YADRLIRLLIEEALN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 31 :TLPKLN 1bd3A 80 :ELPFQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.081 Ang L6.CB and N7.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETT Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.59555 Ang Y38.CG and S41.OG other bump:2.58553 Ang Y38.CD2 and S41.OG other bump:2.30257 Ang Y38.CB and S41.OG other bump:2.90805 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 T0187 77 :EG 1bd3A 153 :AD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 80 :IDDFEIYEAGHPVPDENTIKTTRRVLEL 1bd3A 155 :IRERWVMLLDPMCATAGSVCKAIEVLLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.76716 Ang R25.NH1 and L29.CD1 other bump:2.60919 Ang V14.CG2 and I20.CD1 other bump:2.91605 Ang V14.CG1 and E17.CG self-bump: 2.10347 Ang P15.CA and P15.CG self-bump: 1.26335 Ang P15.CA and P15.CB neighbor-bump: 2.82976 Ang H12.CB and P13.CD other bump:2.45838 Ang G1.O and F5.CE1 other bump:2.96925 Ang G1.C and F5.CE1 other bump:2.46885 Ang G1.O and F5.CD1 T0187 109 :DQLNENDTVLFLL 1bd3A 183 :LGVKEERIIFVNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 1.3886 Ang L14.CA and L14.CB other bump:2.94921 Ang L11.CD2 and L13.CD1 neighbor-bump: 2.22645 Ang D2.O and Q3.CB neighbor-bump: 2.64745 Ang D2.C and Q3.CB Number of specific fragments= 6 total=870 Number of alignments=175 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-local-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-local-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 47 :KAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGP 1bd3A 112 :RAGESMESGLRAVCRGVRIGKILIQRDETTAEP Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.54507 Ang Y28.CG and S31.OG other bump:2.37035 Ang Y28.CD2 and S31.OG other bump:2.51254 Ang Y28.CB and S31.OG other bump:3.15329 Ang Y28.CD2 and S31.CB other bump:2.74415 Ang Y28.CD2 and S31.N other bump:2.57251 Ang W5.CZ3 and R20.NH2 other bump:2.43406 Ang W5.CE3 and R20.NH2 other bump:2.75654 Ang A8.CB and R20.NH2 other bump:3.32232 Ang W5.CZ3 and R20.CZ other bump:2.89347 Ang A8.CB and R20.CZ other bump:2.63982 Ang A8.CB and R20.NE other bump:2.39782 Ang Y12.OH and R20.CD other bump:2.87745 Ang Y12.CD1 and R20.CD other bump:1.75088 Ang Y12.CE1 and R20.CD other bump:2.23436 Ang Y12.CZ and R20.CD other bump:2.14824 Ang Y12.OH and R20.CG other bump:2.19667 Ang Y12.CE1 and R20.CG other bump:2.47499 Ang Y12.OH and R20.CB other bump:1.82118 Ang L15.CG and K18.NZ other bump:2.17442 Ang L15.CD1 and K18.NZ other bump:2.61644 Ang L15.CD2 and K18.NZ other bump:1.9248 Ang L15.CG and K18.CE other bump:2.28644 Ang L15.CD1 and K18.CE other bump:1.71217 Ang L15.CD2 and K18.CE other bump:2.53463 Ang L15.CG and K18.CD other bump:1.60495 Ang L15.CD2 and K18.CD other bump:2.27493 Ang L15.CG and K18.CG other bump:1.56981 Ang L15.CD2 and K18.CG other bump:2.7794 Ang L15.CB and K18.CG other bump:2.93313 Ang L15.CD2 and K18.CB other bump:3.02654 Ang K2.CA and W5.CD1 Number of specific fragments= 1 total=871 Number of alignments=176 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-local-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-local-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAE Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.54507 Ang Y38.CG and S41.OG other bump:2.37035 Ang Y38.CD2 and S41.OG other bump:2.51254 Ang Y38.CB and S41.OG other bump:3.15329 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 Number of specific fragments= 1 total=872 Number of alignments=177 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-simpleSW-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 54 :KAAYEVLGKKIRKGVVV 1bd3A 145 :KLIYEKLPADIRERWVM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:3.00414 Ang Y5.CZ and V7.CG2 Number of specific fragments= 1 total=873 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-simpleSW-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set Number of specific fragments= 0 total=873 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-vit-adpstyle1.pw.a2m.gz # 1bd3A read from T0187-1bd3A-vit-adpstyle1.pw.a2m.gz # found chain 1bd3A in template set T0187 47 :KAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGP 1bd3A 112 :RAGESMESGLRAVCRGVRIGKILIQRDETTAEP Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.54507 Ang Y28.CG and S31.OG other bump:2.37035 Ang Y28.CD2 and S31.OG other bump:2.51254 Ang Y28.CB and S31.OG other bump:3.15329 Ang Y28.CD2 and S31.CB other bump:2.74415 Ang Y28.CD2 and S31.N other bump:2.57251 Ang W5.CZ3 and R20.NH2 other bump:2.43406 Ang W5.CE3 and R20.NH2 other bump:2.75654 Ang A8.CB and R20.NH2 other bump:3.32232 Ang W5.CZ3 and R20.CZ other bump:2.89347 Ang A8.CB and R20.CZ other bump:2.63982 Ang A8.CB and R20.NE other bump:2.39782 Ang Y12.OH and R20.CD other bump:2.87745 Ang Y12.CD1 and R20.CD other bump:1.75088 Ang Y12.CE1 and R20.CD other bump:2.23436 Ang Y12.CZ and R20.CD other bump:2.14824 Ang Y12.OH and R20.CG other bump:2.19667 Ang Y12.CE1 and R20.CG other bump:2.47499 Ang Y12.OH and R20.CB other bump:1.82118 Ang L15.CG and K18.NZ other bump:2.17442 Ang L15.CD1 and K18.NZ other bump:2.61644 Ang L15.CD2 and K18.NZ other bump:1.9248 Ang L15.CG and K18.CE other bump:2.28644 Ang L15.CD1 and K18.CE other bump:1.71217 Ang L15.CD2 and K18.CE other bump:2.53463 Ang L15.CG and K18.CD other bump:1.60495 Ang L15.CD2 and K18.CD other bump:2.27493 Ang L15.CG and K18.CG other bump:1.56981 Ang L15.CD2 and K18.CG other bump:2.7794 Ang L15.CB and K18.CG other bump:2.93313 Ang L15.CD2 and K18.CB other bump:3.02654 Ang K2.CA and W5.CD1 Number of specific fragments= 1 total=874 Number of alignments=178 # Reading fragments from alignment file # T0187 read from T0187-1bd3A-vit-adpstyle5.pw.a2m.gz # 1bd3A read from T0187-1bd3A-vit-adpstyle5.pw.a2m.gz # found chain 1bd3A in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1bd3A 102 :YSKICGVSIVRAGESMESGLRAVCRGVRIGKILIQRDETTAE Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.54507 Ang Y38.CG and S41.OG other bump:2.37035 Ang Y38.CD2 and S41.OG other bump:2.51254 Ang Y38.CB and S41.OG other bump:3.15329 Ang Y38.CD2 and S41.CB other bump:2.74415 Ang Y38.CD2 and S41.N other bump:3.10417 Ang V8.CG1 and K31.CD other bump:2.57251 Ang W15.CZ3 and R30.NH2 other bump:2.43406 Ang W15.CE3 and R30.NH2 other bump:2.75654 Ang A18.CB and R30.NH2 other bump:3.32232 Ang W15.CZ3 and R30.CZ other bump:2.89347 Ang A18.CB and R30.CZ other bump:2.63982 Ang A18.CB and R30.NE other bump:2.87745 Ang Y22.CD1 and R30.CD other bump:1.75088 Ang Y22.CE1 and R30.CD other bump:2.23436 Ang Y22.CZ and R30.CD other bump:2.39782 Ang Y22.OH and R30.CD other bump:2.19667 Ang Y22.CE1 and R30.CG other bump:2.14824 Ang Y22.OH and R30.CG other bump:2.47499 Ang Y22.OH and R30.CB other bump:1.82118 Ang L25.CG and K28.NZ other bump:2.17442 Ang L25.CD1 and K28.NZ other bump:2.61644 Ang L25.CD2 and K28.NZ other bump:1.9248 Ang L25.CG and K28.CE other bump:2.28644 Ang L25.CD1 and K28.CE other bump:1.71217 Ang L25.CD2 and K28.CE other bump:2.53463 Ang L25.CG and K28.CD other bump:1.60495 Ang L25.CD2 and K28.CD other bump:2.7794 Ang L25.CB and K28.CG other bump:2.27493 Ang L25.CG and K28.CG other bump:1.56981 Ang L25.CD2 and K28.CG other bump:2.93313 Ang L25.CD2 and K28.CB other bump:2.48447 Ang L7.CD1 and A21.CB other bump:2.69349 Ang G11.CA and W15.NE1 other bump:3.02654 Ang K12.CA and W15.CD1 other bump:3.23411 Ang A9.C and A14.CB other bump:2.34328 Ang V10.N and A14.CB other bump:3.14823 Ang V10.CA and A14.CB other bump:2.6223 Ang V10.O and A14.CB other bump:3.11459 Ang V10.C and A14.CB neighbor-bump: 2.36578 Ang V5.O and I6.CG2 other bump:2.51681 Ang D3.OD2 and V5.CG2 Number of specific fragments= 1 total=875 Number of alignments=179 # Prefix for input files set to 1jmyA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from T0187-1jmyA-local-adpstyle1.pw.a2m.gz # 1jmyA read from T0187-1jmyA-local-adpstyle1.pw.a2m.gz # adding 1jmyA to template set 1jmyA:# found chain 1jmyA in template set T0187 15 :VKKSIEAVFPDRAVKETLPKLN 1jmyA 29 :IFKGIPFAAPTKALENPQPHPG Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 1.64871 Ang L22.O and N23.ND2 neighbor-bump: 2.64909 Ang L22.C and N23.CG neighbor-bump: 1.78547 Ang L22.O and N23.CG neighbor-bump: 2.64751 Ang L22.C and N23.CB neighbor-bump: 2.20595 Ang L22.O and N23.CB other bump:2.54107 Ang E7.CB and K21.NZ other bump:2.3463 Ang V9.O and K21.CE other bump:2.85507 Ang E7.C and K21.CE other bump:2.30976 Ang A8.N and K21.CE other bump:2.22612 Ang V9.CA and K21.CE other bump:2.49297 Ang V9.C and K21.CE other bump:2.81417 Ang A8.CA and K21.CE other bump:2.32961 Ang A8.C and K21.CE other bump:1.26156 Ang V9.N and K21.CE other bump:2.91326 Ang E7.CB and K21.CD other bump:2.92785 Ang E7.CG and K21.CD other bump:2.93 Ang E7.C and K21.CD other bump:3.01688 Ang V9.CA and K21.CD other bump:2.95034 Ang V9.C and K21.CD other bump:3.14771 Ang A8.C and K21.CD other bump:2.33323 Ang V9.N and K21.CD other bump:2.84298 Ang V9.CA and K21.CG other bump:2.43126 Ang V9.C and K21.CG other bump:2.71073 Ang F10.N and K21.CG other bump:2.8946 Ang V9.N and K21.CG other bump:2.78306 Ang V9.CB and T18.CG2 other bump:2.91632 Ang V9.CG1 and T18.CG2 neighbor-bump: 2.86933 Ang A8.C and V9.CG1 neighbor-bump: 2.21072 Ang A8.O and V9.CG1 neighbor-bump: 1.77468 Ang K4.O and S5.OG neighbor-bump: 2.55059 Ang K4.C and S5.OG neighbor-bump: 2.15929 Ang K4.O and S5.CB neighbor-bump: 2.60165 Ang K4.C and S5.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1jmyA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 107 clashes (null) has 107 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.341 Ang F48.CD2 and H55.NE2 other bump:2.07299 Ang F48.O and H55.NE2 other bump:2.54213 Ang F48.C and H55.NE2 other bump:2.63553 Ang F48.O and H55.CD2 other bump:2.93739 Ang F48.C and H55.CD2 other bump:2.60283 Ang E49.CA and H55.CD2 other bump:1.5455 Ang I50.CD1 and E52.OE2 other bump:3.06255 Ang I50.CG1 and E52.CD other bump:1.81382 Ang I50.CD1 and E52.CD other bump:2.4072 Ang I50.CG1 and E52.CG other bump:1.8385 Ang I50.CD1 and E52.CG other bump:2.68231 Ang I6.CG2 and D47.OD2 other bump:2.20727 Ang S41.CA and D46.OD2 other bump:2.44955 Ang E42.C and D46.OD2 other bump:0.711758 Ang E42.N and D46.OD2 other bump:1.79417 Ang E42.CA and D46.OD2 other bump:2.08491 Ang S41.O and D46.OD2 other bump:1.17373 Ang S41.C and D46.OD2 other bump:1.69941 Ang S41.CA and D46.OD1 other bump:1.01358 Ang S41.CB and D46.OD1 other bump:1.64345 Ang S41.OG and D46.OD1 other bump:2.08932 Ang S41.C and D46.OD1 other bump:2.02156 Ang S41.CA and D46.CG other bump:2.13817 Ang S41.CB and D46.CG other bump:2.5774 Ang S41.OG and D46.CG other bump:3.24091 Ang E42.C and D46.CG other bump:1.92432 Ang E42.N and D46.CG other bump:2.819 Ang E42.CA and D46.CG other bump:1.92297 Ang S41.O and D46.CG other bump:1.40212 Ang S41.C and D46.CG other bump:2.9615 Ang E42.N and D46.CB other bump:3.20066 Ang E42.CA and D46.CB other bump:2.15472 Ang S41.O and D46.CB other bump:2.46799 Ang S41.C and D46.CB other bump:2.44856 Ang V8.N and E42.OE2 other bump:1.88016 Ang V8.CA and E42.OE2 other bump:1.63573 Ang V8.O and E42.OE2 other bump:1.42304 Ang V8.C and E42.OE2 other bump:2.33843 Ang A9.N and E42.OE2 other bump:2.82598 Ang R4.CZ and E42.OE2 other bump:2.29524 Ang R4.NH1 and E42.OE2 other bump:2.2216 Ang R4.NH1 and E42.OE1 other bump:2.78986 Ang V8.CA and E42.CD other bump:2.51752 Ang V8.C and E42.CD other bump:3.03118 Ang R4.CZ and E42.CD other bump:2.1248 Ang R4.NH1 and E42.CD other bump:2.81711 Ang K12.CD and K37.NZ other bump:1.53119 Ang G11.O and K37.CD other bump:2.66342 Ang G11.C and K37.CD other bump:2.59876 Ang Y22.O and K37.CD other bump:2.20026 Ang G11.O and K37.CG other bump:3.06458 Ang G11.C and K37.CG other bump:2.0932 Ang V24.CG1 and V35.CG2 other bump:2.51059 Ang V24.CB and V35.CG1 other bump:2.31982 Ang V24.CG1 and V35.CG1 other bump:1.83491 Ang V24.CG2 and V35.CG1 other bump:2.55456 Ang V24.CB and V35.CB other bump:1.47412 Ang V24.CG1 and V35.CB other bump:2.72098 Ang V24.CG2 and V35.CB other bump:2.7745 Ang V24.CG1 and V35.CA other bump:3.03116 Ang A13.CB and Y22.CE2 other bump:2.64264 Ang A14.O and A21.CB other bump:2.42773 Ang R16.O and K19.O neighbor-bump: 2.1483 Ang R16.O and M17.O neighbor-bump: 2.3275 Ang A13.CB and A14.N self-bump: 2.18098 Ang A13.CB and A13.C self-bump: 1.3139 Ang A13.CA and A13.CB other bump:2.90224 Ang V10.CG2 and A13.CA other bump:2.55356 Ang V10.CG2 and A13.N other bump:3.2092 Ang R4.CZ and V10.N neighbor-bump: 2.36671 Ang A9.CB and V10.N other bump:2.97392 Ang R4.CD and A9.C other bump:2.68072 Ang R4.NE and A9.C other bump:2.32665 Ang R4.CZ and A9.C other bump:1.94626 Ang R4.NH1 and A9.C self-bump: 2.17414 Ang A9.CB and A9.C other bump:2.44818 Ang R4.CZ and A9.O other bump:1.49221 Ang R4.NH1 and A9.O other bump:1.53714 Ang R4.CD and A9.CB other bump:2.21058 Ang R4.NE and A9.CB self-bump: 1.29073 Ang A9.CA and A9.CB other bump:2.82614 Ang R4.CG and A9.CB other bump:1.65996 Ang R4.CD and A9.CA other bump:1.99319 Ang R4.NE and A9.CA other bump:2.29499 Ang R4.CZ and A9.CA other bump:2.24793 Ang R4.NH1 and A9.CA other bump:3.15842 Ang R4.CG and A9.CA neighbor-bump: 2.43981 Ang V8.CG1 and A9.N other bump:2.35814 Ang R4.CD and A9.N other bump:2.81572 Ang R4.NE and A9.N other bump:2.90609 Ang R4.CZ and A9.N other bump:2.41807 Ang R4.NH1 and A9.N other bump:2.59567 Ang R4.CD and V8.C other bump:2.86705 Ang R4.NE and V8.C other bump:2.952 Ang R4.CZ and V8.C other bump:2.65212 Ang R4.NH1 and V8.C other bump:3.17496 Ang R4.CB and V8.C other bump:2.32755 Ang R4.CD and V8.O other bump:2.47936 Ang R4.CZ and V8.O other bump:2.32645 Ang R4.CB and V8.O other bump:1.77864 Ang L2.CD1 and R4.NH2 other bump:2.25949 Ang L2.CD1 and R4.CZ other bump:2.15576 Ang L2.CD1 and R4.NE neighbor-bump: 1.99543 Ang D3.O and R4.CG neighbor-bump: 2.72253 Ang D3.C and R4.CG neighbor-bump: 2.12622 Ang D3.O and R4.CB neighbor-bump: 2.5666 Ang D3.C and R4.CB Number of specific fragments= 2 total=877 Number of alignments=180 # Reading fragments from alignment file # T0187 read from T0187-1jmyA-local-adpstyle5.pw.a2m.gz # 1jmyA read from T0187-1jmyA-local-adpstyle5.pw.a2m.gz # found chain 1jmyA in template set T0187 26 :RAVKETLPKLN 1jmyA 40 :KALENPQPHPG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.64871 Ang L11.O and N12.ND2 neighbor-bump: 1.78547 Ang L11.O and N12.CG neighbor-bump: 2.64909 Ang L11.C and N12.CG neighbor-bump: 2.20595 Ang L11.O and N12.CB neighbor-bump: 2.64751 Ang L11.C and N12.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFE 1jmyA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLS Fragment has 96 clashes (null) has 96 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.68231 Ang I6.CG2 and D47.OD2 other bump:0.711758 Ang E42.N and D46.OD2 other bump:1.79417 Ang E42.CA and D46.OD2 other bump:2.44955 Ang E42.C and D46.OD2 other bump:2.20727 Ang S41.CA and D46.OD2 other bump:2.08491 Ang S41.O and D46.OD2 other bump:1.17373 Ang S41.C and D46.OD2 other bump:1.01358 Ang S41.CB and D46.OD1 other bump:1.64345 Ang S41.OG and D46.OD1 other bump:1.69941 Ang S41.CA and D46.OD1 other bump:2.08932 Ang S41.C and D46.OD1 other bump:2.13817 Ang S41.CB and D46.CG other bump:1.92432 Ang E42.N and D46.CG other bump:2.819 Ang E42.CA and D46.CG other bump:3.24091 Ang E42.C and D46.CG other bump:2.5774 Ang S41.OG and D46.CG other bump:2.02156 Ang S41.CA and D46.CG other bump:1.92297 Ang S41.O and D46.CG other bump:1.40212 Ang S41.C and D46.CG other bump:2.9615 Ang E42.N and D46.CB other bump:3.20066 Ang E42.CA and D46.CB other bump:2.15472 Ang S41.O and D46.CB other bump:2.46799 Ang S41.C and D46.CB other bump:2.29524 Ang R4.NH1 and E42.OE2 other bump:1.88016 Ang V8.CA and E42.OE2 other bump:1.42304 Ang V8.C and E42.OE2 other bump:2.33843 Ang A9.N and E42.OE2 other bump:2.82598 Ang R4.CZ and E42.OE2 other bump:2.44856 Ang V8.N and E42.OE2 other bump:1.63573 Ang V8.O and E42.OE2 other bump:2.2216 Ang R4.NH1 and E42.OE1 other bump:2.1248 Ang R4.NH1 and E42.CD other bump:2.78986 Ang V8.CA and E42.CD other bump:2.51752 Ang V8.C and E42.CD other bump:3.03118 Ang R4.CZ and E42.CD other bump:2.81711 Ang K12.CD and K37.NZ other bump:1.53119 Ang G11.O and K37.CD other bump:2.66342 Ang G11.C and K37.CD other bump:2.59876 Ang Y22.O and K37.CD other bump:2.20026 Ang G11.O and K37.CG other bump:3.06458 Ang G11.C and K37.CG other bump:2.0932 Ang V24.CG1 and V35.CG2 other bump:2.51059 Ang V24.CB and V35.CG1 other bump:2.31982 Ang V24.CG1 and V35.CG1 other bump:1.83491 Ang V24.CG2 and V35.CG1 other bump:2.55456 Ang V24.CB and V35.CB other bump:1.47412 Ang V24.CG1 and V35.CB other bump:2.72098 Ang V24.CG2 and V35.CB other bump:2.7745 Ang V24.CG1 and V35.CA other bump:3.03116 Ang A13.CB and Y22.CE2 other bump:2.64264 Ang A14.O and A21.CB other bump:2.42773 Ang R16.O and K19.O neighbor-bump: 2.1483 Ang R16.O and M17.O neighbor-bump: 2.3275 Ang A13.CB and A14.N self-bump: 2.18098 Ang A13.CB and A13.C self-bump: 1.3139 Ang A13.CA and A13.CB other bump:2.90224 Ang V10.CG2 and A13.CA other bump:2.55356 Ang V10.CG2 and A13.N other bump:3.2092 Ang R4.CZ and V10.N neighbor-bump: 2.36671 Ang A9.CB and V10.N other bump:1.94626 Ang R4.NH1 and A9.C other bump:2.68072 Ang R4.NE and A9.C other bump:2.32665 Ang R4.CZ and A9.C self-bump: 2.17414 Ang A9.CB and A9.C other bump:2.97392 Ang R4.CD and A9.C other bump:1.49221 Ang R4.NH1 and A9.O other bump:2.44818 Ang R4.CZ and A9.O self-bump: 1.29073 Ang A9.CA and A9.CB other bump:2.21058 Ang R4.NE and A9.CB other bump:2.82614 Ang R4.CG and A9.CB other bump:1.53714 Ang R4.CD and A9.CB other bump:2.24793 Ang R4.NH1 and A9.CA other bump:1.99319 Ang R4.NE and A9.CA other bump:2.29499 Ang R4.CZ and A9.CA other bump:3.15842 Ang R4.CG and A9.CA other bump:1.65996 Ang R4.CD and A9.CA neighbor-bump: 2.43981 Ang V8.CG1 and A9.N other bump:2.41807 Ang R4.NH1 and A9.N other bump:2.81572 Ang R4.NE and A9.N other bump:2.90609 Ang R4.CZ and A9.N other bump:2.35814 Ang R4.CD and A9.N other bump:2.65212 Ang R4.NH1 and V8.C other bump:2.86705 Ang R4.NE and V8.C other bump:2.952 Ang R4.CZ and V8.C other bump:3.17496 Ang R4.CB and V8.C other bump:2.59567 Ang R4.CD and V8.C other bump:2.47936 Ang R4.CZ and V8.O other bump:2.32645 Ang R4.CB and V8.O other bump:2.32755 Ang R4.CD and V8.O other bump:1.77864 Ang L2.CD1 and R4.NH2 other bump:2.25949 Ang L2.CD1 and R4.CZ other bump:2.15576 Ang L2.CD1 and R4.NE neighbor-bump: 1.99543 Ang D3.O and R4.CG neighbor-bump: 2.72253 Ang D3.C and R4.CG neighbor-bump: 2.12622 Ang D3.O and R4.CB neighbor-bump: 2.5666 Ang D3.C and R4.CB T0187 87 :EAGHPVPDENTIKTTRRVLELVDQ 1jmyA 153 :TGDANLPGNYGLRDQHMAIAWVKR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.39991 Ang D9.CB and E10.N self-bump: 2.1778 Ang D9.CB and D9.C other bump:2.99215 Ang V7.CG1 and D9.OD1 self-bump: 1.29429 Ang D9.CA and D9.CB neighbor-bump: 2.62092 Ang H5.N and P6.CD neighbor-bump: 2.29496 Ang E2.O and A3.CB neighbor-bump: 2.54031 Ang E2.C and A3.CB T0187 111 :LNENDTVLFLLSGGGS 1jmyA 183 :GDPNNITLFGESAGGA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.78935 Ang L11.CD1 and G16.C other bump:3.19722 Ang L11.CG and G16.CA other bump:1.99646 Ang L11.CD1 and G16.CA other bump:2.82413 Ang L11.CG and G16.N other bump:1.34187 Ang L11.CD1 and G16.N other bump:2.89832 Ang L11.CB and G15.C other bump:2.08836 Ang L11.CG and G15.C other bump:0.893152 Ang L11.CD1 and G15.C other bump:2.63672 Ang L11.CD2 and G15.C other bump:1.60354 Ang L11.CG and G15.O other bump:1.21614 Ang L11.CD1 and G15.O other bump:1.69106 Ang L11.CD2 and G15.O other bump:3.17451 Ang L11.CB and G15.CA other bump:2.98583 Ang L11.CG and G15.CA other bump:2.25713 Ang L11.CD1 and G15.CA neighbor-bump: 2.42246 Ang L12.CB and S13.N self-bump: 2.1917 Ang L12.CB and L12.C self-bump: 1.28431 Ang L12.CA and L12.CB Number of specific fragments= 4 total=881 Number of alignments=181 # Reading fragments from alignment file # T0187 read from T0187-1jmyA-simpleSW-adpstyle1.pw.a2m.gz # 1jmyA read from T0187-1jmyA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1jmyA in template set T0187 41 :ILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1jmyA 109 :FLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 68 clashes (null) has 68 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues other bump:2.341 Ang F44.CD2 and H51.NE2 other bump:2.07299 Ang F44.O and H51.NE2 other bump:2.54213 Ang F44.C and H51.NE2 other bump:2.63553 Ang F44.O and H51.CD2 other bump:2.93739 Ang F44.C and H51.CD2 other bump:2.60283 Ang E45.CA and H51.CD2 other bump:1.5455 Ang I46.CD1 and E48.OE2 other bump:3.06255 Ang I46.CG1 and E48.CD other bump:1.81382 Ang I46.CD1 and E48.CD other bump:2.4072 Ang I46.CG1 and E48.CG other bump:1.8385 Ang I46.CD1 and E48.CG other bump:2.68231 Ang I2.CG2 and D43.OD2 other bump:2.20727 Ang S37.CA and D42.OD2 other bump:2.44955 Ang E38.C and D42.OD2 other bump:0.711758 Ang E38.N and D42.OD2 other bump:1.79417 Ang E38.CA and D42.OD2 other bump:2.08491 Ang S37.O and D42.OD2 other bump:1.17373 Ang S37.C and D42.OD2 other bump:1.69941 Ang S37.CA and D42.OD1 other bump:1.01358 Ang S37.CB and D42.OD1 other bump:1.64345 Ang S37.OG and D42.OD1 other bump:2.08932 Ang S37.C and D42.OD1 other bump:2.02156 Ang S37.CA and D42.CG other bump:2.13817 Ang S37.CB and D42.CG other bump:2.5774 Ang S37.OG and D42.CG other bump:3.24091 Ang E38.C and D42.CG other bump:1.92432 Ang E38.N and D42.CG other bump:2.819 Ang E38.CA and D42.CG other bump:1.92297 Ang S37.O and D42.CG other bump:1.40212 Ang S37.C and D42.CG other bump:2.9615 Ang E38.N and D42.CB other bump:3.20066 Ang E38.CA and D42.CB other bump:2.15472 Ang S37.O and D42.CB other bump:2.46799 Ang S37.C and D42.CB other bump:2.44856 Ang V4.N and E38.OE2 other bump:1.88016 Ang V4.CA and E38.OE2 other bump:1.63573 Ang V4.O and E38.OE2 other bump:1.42304 Ang V4.C and E38.OE2 other bump:2.33843 Ang A5.N and E38.OE2 other bump:2.78986 Ang V4.CA and E38.CD other bump:2.51752 Ang V4.C and E38.CD other bump:2.81711 Ang K8.CD and K33.NZ other bump:1.53119 Ang G7.O and K33.CD other bump:2.66342 Ang G7.C and K33.CD other bump:2.59876 Ang Y18.O and K33.CD other bump:2.20026 Ang G7.O and K33.CG other bump:3.06458 Ang G7.C and K33.CG other bump:2.0932 Ang V20.CG1 and V31.CG2 other bump:2.51059 Ang V20.CB and V31.CG1 other bump:2.31982 Ang V20.CG1 and V31.CG1 other bump:1.83491 Ang V20.CG2 and V31.CG1 other bump:2.55456 Ang V20.CB and V31.CB other bump:1.47412 Ang V20.CG1 and V31.CB other bump:2.72098 Ang V20.CG2 and V31.CB other bump:2.7745 Ang V20.CG1 and V31.CA other bump:3.03116 Ang A9.CB and Y18.CE2 other bump:2.64264 Ang A10.O and A17.CB other bump:2.42773 Ang R12.O and K15.O neighbor-bump: 2.1483 Ang R12.O and M13.O neighbor-bump: 2.3275 Ang A9.CB and A10.N self-bump: 2.18098 Ang A9.CB and A9.C self-bump: 1.3139 Ang A9.CA and A9.CB other bump:2.90224 Ang V6.CG2 and A9.CA other bump:2.55356 Ang V6.CG2 and A9.N neighbor-bump: 2.36671 Ang A5.CB and V6.N self-bump: 2.17414 Ang A5.CB and A5.C self-bump: 1.29073 Ang A5.CA and A5.CB neighbor-bump: 2.43981 Ang V4.CG1 and A5.N Number of specific fragments= 1 total=882 Number of alignments=182 # Reading fragments from alignment file # T0187 read from T0187-1jmyA-simpleSW-adpstyle5.pw.a2m.gz # 1jmyA read from T0187-1jmyA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1jmyA in template set T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1jmyA 106 :GGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 104 clashes (null) has 104 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 56 residues other bump:2.341 Ang F47.CD2 and H54.NE2 other bump:2.07299 Ang F47.O and H54.NE2 other bump:2.54213 Ang F47.C and H54.NE2 other bump:2.63553 Ang F47.O and H54.CD2 other bump:2.93739 Ang F47.C and H54.CD2 other bump:2.60283 Ang E48.CA and H54.CD2 other bump:1.5455 Ang I49.CD1 and E51.OE2 other bump:3.06255 Ang I49.CG1 and E51.CD other bump:1.81382 Ang I49.CD1 and E51.CD other bump:2.4072 Ang I49.CG1 and E51.CG other bump:1.8385 Ang I49.CD1 and E51.CG other bump:2.68231 Ang I5.CG2 and D46.OD2 other bump:2.20727 Ang S40.CA and D45.OD2 other bump:2.44955 Ang E41.C and D45.OD2 other bump:0.711758 Ang E41.N and D45.OD2 other bump:1.79417 Ang E41.CA and D45.OD2 other bump:2.08491 Ang S40.O and D45.OD2 other bump:1.17373 Ang S40.C and D45.OD2 other bump:1.69941 Ang S40.CA and D45.OD1 other bump:1.01358 Ang S40.CB and D45.OD1 other bump:1.64345 Ang S40.OG and D45.OD1 other bump:2.08932 Ang S40.C and D45.OD1 other bump:2.02156 Ang S40.CA and D45.CG other bump:2.13817 Ang S40.CB and D45.CG other bump:2.5774 Ang S40.OG and D45.CG other bump:3.24091 Ang E41.C and D45.CG other bump:1.92432 Ang E41.N and D45.CG other bump:2.819 Ang E41.CA and D45.CG other bump:1.92297 Ang S40.O and D45.CG other bump:1.40212 Ang S40.C and D45.CG other bump:2.9615 Ang E41.N and D45.CB other bump:3.20066 Ang E41.CA and D45.CB other bump:2.15472 Ang S40.O and D45.CB other bump:2.46799 Ang S40.C and D45.CB other bump:2.44856 Ang V7.N and E41.OE2 other bump:1.88016 Ang V7.CA and E41.OE2 other bump:1.63573 Ang V7.O and E41.OE2 other bump:1.42304 Ang V7.C and E41.OE2 other bump:2.33843 Ang A8.N and E41.OE2 other bump:2.82598 Ang R3.CZ and E41.OE2 other bump:2.29524 Ang R3.NH1 and E41.OE2 other bump:2.2216 Ang R3.NH1 and E41.OE1 other bump:2.78986 Ang V7.CA and E41.CD other bump:2.51752 Ang V7.C and E41.CD other bump:3.03118 Ang R3.CZ and E41.CD other bump:2.1248 Ang R3.NH1 and E41.CD other bump:2.81711 Ang K11.CD and K36.NZ other bump:1.53119 Ang G10.O and K36.CD other bump:2.66342 Ang G10.C and K36.CD other bump:2.59876 Ang Y21.O and K36.CD other bump:2.20026 Ang G10.O and K36.CG other bump:3.06458 Ang G10.C and K36.CG other bump:2.0932 Ang V23.CG1 and V34.CG2 other bump:2.51059 Ang V23.CB and V34.CG1 other bump:2.31982 Ang V23.CG1 and V34.CG1 other bump:1.83491 Ang V23.CG2 and V34.CG1 other bump:2.55456 Ang V23.CB and V34.CB other bump:1.47412 Ang V23.CG1 and V34.CB other bump:2.72098 Ang V23.CG2 and V34.CB other bump:2.7745 Ang V23.CG1 and V34.CA other bump:3.03116 Ang A12.CB and Y21.CE2 other bump:2.64264 Ang A13.O and A20.CB other bump:2.42773 Ang R15.O and K18.O neighbor-bump: 2.1483 Ang R15.O and M16.O neighbor-bump: 2.3275 Ang A12.CB and A13.N self-bump: 2.18098 Ang A12.CB and A12.C self-bump: 1.3139 Ang A12.CA and A12.CB other bump:2.90224 Ang V9.CG2 and A12.CA other bump:2.55356 Ang V9.CG2 and A12.N other bump:3.2092 Ang R3.CZ and V9.N neighbor-bump: 2.36671 Ang A8.CB and V9.N other bump:2.97392 Ang R3.CD and A8.C other bump:2.68072 Ang R3.NE and A8.C other bump:2.32665 Ang R3.CZ and A8.C other bump:1.94626 Ang R3.NH1 and A8.C self-bump: 2.17414 Ang A8.CB and A8.C other bump:2.44818 Ang R3.CZ and A8.O other bump:1.49221 Ang R3.NH1 and A8.O other bump:1.53714 Ang R3.CD and A8.CB other bump:2.21058 Ang R3.NE and A8.CB self-bump: 1.29073 Ang A8.CA and A8.CB other bump:2.82614 Ang R3.CG and A8.CB other bump:1.65996 Ang R3.CD and A8.CA other bump:1.99319 Ang R3.NE and A8.CA other bump:2.29499 Ang R3.CZ and A8.CA other bump:2.24793 Ang R3.NH1 and A8.CA other bump:3.15842 Ang R3.CG and A8.CA neighbor-bump: 2.43981 Ang V7.CG1 and A8.N other bump:2.35814 Ang R3.CD and A8.N other bump:2.81572 Ang R3.NE and A8.N other bump:2.90609 Ang R3.CZ and A8.N other bump:2.41807 Ang R3.NH1 and A8.N other bump:2.59567 Ang R3.CD and V7.C other bump:2.86705 Ang R3.NE and V7.C other bump:2.952 Ang R3.CZ and V7.C other bump:2.65212 Ang R3.NH1 and V7.C other bump:3.17496 Ang R3.CB and V7.C other bump:2.32755 Ang R3.CD and V7.O other bump:2.47936 Ang R3.CZ and V7.O other bump:2.32645 Ang R3.CB and V7.O neighbor-bump: 1.99543 Ang D2.O and R3.CG neighbor-bump: 2.72253 Ang D2.C and R3.CG neighbor-bump: 2.12622 Ang D2.O and R3.CB neighbor-bump: 2.5666 Ang D2.C and R3.CB T0187 94 :DENTIKTTRRVLELVDQ 1jmyA 160 :GNYGLRDQHMAIAWVKR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 3.09885 Ang D2.CG and E3.CG neighbor-bump: 2.34407 Ang D2.CB and E3.N self-bump: 2.01866 Ang D2.CB and D2.C neighbor-bump: 1.63783 Ang G1.O and D2.CG neighbor-bump: 2.59981 Ang G1.C and D2.CG T0187 111 :LNENDTVLFLLSGGGSSL 1jmyA 183 :GDPNNITLFGESAGGASV Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.86078 Ang L9.CB and L19.CD2 other bump:2.13156 Ang L11.N and L19.CD1 other bump:2.98271 Ang L11.CA and L19.CD1 other bump:2.87833 Ang L11.CB and L19.CD1 other bump:2.4928 Ang L11.CG and L19.CD1 other bump:2.97299 Ang F10.N and L19.CD1 other bump:2.52946 Ang F10.CA and L19.CD1 other bump:2.17401 Ang F10.C and L19.CD1 other bump:2.37528 Ang L11.CG and L19.CG other bump:2.14581 Ang L11.CD2 and L19.CG other bump:2.97343 Ang L11.CD2 and L19.CB other bump:3.21099 Ang L11.CD2 and L19.CA other bump:2.75514 Ang L11.CD2 and L19.N other bump:2.78935 Ang L11.CD1 and G16.C other bump:3.19722 Ang L11.CG and G16.CA other bump:1.99646 Ang L11.CD1 and G16.CA other bump:2.82413 Ang L11.CG and G16.N other bump:1.34187 Ang L11.CD1 and G16.N other bump:2.89832 Ang L11.CB and G15.C other bump:2.08836 Ang L11.CG and G15.C other bump:0.893152 Ang L11.CD1 and G15.C other bump:2.63672 Ang L11.CD2 and G15.C other bump:1.60354 Ang L11.CG and G15.O other bump:1.21614 Ang L11.CD1 and G15.O other bump:1.69106 Ang L11.CD2 and G15.O other bump:3.17451 Ang L11.CB and G15.CA other bump:2.98583 Ang L11.CG and G15.CA other bump:2.25713 Ang L11.CD1 and G15.CA neighbor-bump: 2.42246 Ang L12.CB and S13.N self-bump: 2.1917 Ang L12.CB and L12.C self-bump: 1.28431 Ang L12.CA and L12.CB Number of specific fragments= 3 total=885 Number of alignments=183 # Reading fragments from alignment file # T0187 read from T0187-1jmyA-vit-adpstyle1.pw.a2m.gz # 1jmyA read from T0187-1jmyA-vit-adpstyle1.pw.a2m.gz # found chain 1jmyA in template set T0187 15 :VKKSIEAVFPDRAVKETLPKLN 1jmyA 29 :IFKGIPFAAPTKALENPQPHPG Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 1.64871 Ang L22.O and N23.ND2 neighbor-bump: 2.64909 Ang L22.C and N23.CG neighbor-bump: 1.78547 Ang L22.O and N23.CG neighbor-bump: 2.64751 Ang L22.C and N23.CB neighbor-bump: 2.20595 Ang L22.O and N23.CB other bump:2.54107 Ang E7.CB and K21.NZ other bump:2.3463 Ang V9.O and K21.CE other bump:2.85507 Ang E7.C and K21.CE other bump:2.30976 Ang A8.N and K21.CE other bump:2.22612 Ang V9.CA and K21.CE other bump:2.49297 Ang V9.C and K21.CE other bump:2.81417 Ang A8.CA and K21.CE other bump:2.32961 Ang A8.C and K21.CE other bump:1.26156 Ang V9.N and K21.CE other bump:2.91326 Ang E7.CB and K21.CD other bump:2.92785 Ang E7.CG and K21.CD other bump:2.93 Ang E7.C and K21.CD other bump:3.01688 Ang V9.CA and K21.CD other bump:2.95034 Ang V9.C and K21.CD other bump:3.14771 Ang A8.C and K21.CD other bump:2.33323 Ang V9.N and K21.CD other bump:2.84298 Ang V9.CA and K21.CG other bump:2.43126 Ang V9.C and K21.CG other bump:2.71073 Ang F10.N and K21.CG other bump:2.8946 Ang V9.N and K21.CG other bump:2.78306 Ang V9.CB and T18.CG2 other bump:2.91632 Ang V9.CG1 and T18.CG2 neighbor-bump: 2.86933 Ang A8.C and V9.CG1 neighbor-bump: 2.21072 Ang A8.O and V9.CG1 neighbor-bump: 1.77468 Ang K4.O and S5.OG neighbor-bump: 2.55059 Ang K4.C and S5.OG neighbor-bump: 2.15929 Ang K4.O and S5.CB neighbor-bump: 2.60165 Ang K4.C and S5.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1jmyA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 107 clashes (null) has 107 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.341 Ang F48.CD2 and H55.NE2 other bump:2.07299 Ang F48.O and H55.NE2 other bump:2.54213 Ang F48.C and H55.NE2 other bump:2.63553 Ang F48.O and H55.CD2 other bump:2.93739 Ang F48.C and H55.CD2 other bump:2.60283 Ang E49.CA and H55.CD2 other bump:1.5455 Ang I50.CD1 and E52.OE2 other bump:3.06255 Ang I50.CG1 and E52.CD other bump:1.81382 Ang I50.CD1 and E52.CD other bump:2.4072 Ang I50.CG1 and E52.CG other bump:1.8385 Ang I50.CD1 and E52.CG other bump:2.68231 Ang I6.CG2 and D47.OD2 other bump:2.20727 Ang S41.CA and D46.OD2 other bump:2.44955 Ang E42.C and D46.OD2 other bump:0.711758 Ang E42.N and D46.OD2 other bump:1.79417 Ang E42.CA and D46.OD2 other bump:2.08491 Ang S41.O and D46.OD2 other bump:1.17373 Ang S41.C and D46.OD2 other bump:1.69941 Ang S41.CA and D46.OD1 other bump:1.01358 Ang S41.CB and D46.OD1 other bump:1.64345 Ang S41.OG and D46.OD1 other bump:2.08932 Ang S41.C and D46.OD1 other bump:2.02156 Ang S41.CA and D46.CG other bump:2.13817 Ang S41.CB and D46.CG other bump:2.5774 Ang S41.OG and D46.CG other bump:3.24091 Ang E42.C and D46.CG other bump:1.92432 Ang E42.N and D46.CG other bump:2.819 Ang E42.CA and D46.CG other bump:1.92297 Ang S41.O and D46.CG other bump:1.40212 Ang S41.C and D46.CG other bump:2.9615 Ang E42.N and D46.CB other bump:3.20066 Ang E42.CA and D46.CB other bump:2.15472 Ang S41.O and D46.CB other bump:2.46799 Ang S41.C and D46.CB other bump:2.44856 Ang V8.N and E42.OE2 other bump:1.88016 Ang V8.CA and E42.OE2 other bump:1.63573 Ang V8.O and E42.OE2 other bump:1.42304 Ang V8.C and E42.OE2 other bump:2.33843 Ang A9.N and E42.OE2 other bump:2.82598 Ang R4.CZ and E42.OE2 other bump:2.29524 Ang R4.NH1 and E42.OE2 other bump:2.2216 Ang R4.NH1 and E42.OE1 other bump:2.78986 Ang V8.CA and E42.CD other bump:2.51752 Ang V8.C and E42.CD other bump:3.03118 Ang R4.CZ and E42.CD other bump:2.1248 Ang R4.NH1 and E42.CD other bump:2.81711 Ang K12.CD and K37.NZ other bump:1.53119 Ang G11.O and K37.CD other bump:2.66342 Ang G11.C and K37.CD other bump:2.59876 Ang Y22.O and K37.CD other bump:2.20026 Ang G11.O and K37.CG other bump:3.06458 Ang G11.C and K37.CG other bump:2.0932 Ang V24.CG1 and V35.CG2 other bump:2.51059 Ang V24.CB and V35.CG1 other bump:2.31982 Ang V24.CG1 and V35.CG1 other bump:1.83491 Ang V24.CG2 and V35.CG1 other bump:2.55456 Ang V24.CB and V35.CB other bump:1.47412 Ang V24.CG1 and V35.CB other bump:2.72098 Ang V24.CG2 and V35.CB other bump:2.7745 Ang V24.CG1 and V35.CA other bump:3.03116 Ang A13.CB and Y22.CE2 other bump:2.64264 Ang A14.O and A21.CB other bump:2.42773 Ang R16.O and K19.O neighbor-bump: 2.1483 Ang R16.O and M17.O neighbor-bump: 2.3275 Ang A13.CB and A14.N self-bump: 2.18098 Ang A13.CB and A13.C self-bump: 1.3139 Ang A13.CA and A13.CB other bump:2.90224 Ang V10.CG2 and A13.CA other bump:2.55356 Ang V10.CG2 and A13.N other bump:3.2092 Ang R4.CZ and V10.N neighbor-bump: 2.36671 Ang A9.CB and V10.N other bump:2.97392 Ang R4.CD and A9.C other bump:2.68072 Ang R4.NE and A9.C other bump:2.32665 Ang R4.CZ and A9.C other bump:1.94626 Ang R4.NH1 and A9.C self-bump: 2.17414 Ang A9.CB and A9.C other bump:2.44818 Ang R4.CZ and A9.O other bump:1.49221 Ang R4.NH1 and A9.O other bump:1.53714 Ang R4.CD and A9.CB other bump:2.21058 Ang R4.NE and A9.CB self-bump: 1.29073 Ang A9.CA and A9.CB other bump:2.82614 Ang R4.CG and A9.CB other bump:1.65996 Ang R4.CD and A9.CA other bump:1.99319 Ang R4.NE and A9.CA other bump:2.29499 Ang R4.CZ and A9.CA other bump:2.24793 Ang R4.NH1 and A9.CA other bump:3.15842 Ang R4.CG and A9.CA neighbor-bump: 2.43981 Ang V8.CG1 and A9.N other bump:2.35814 Ang R4.CD and A9.N other bump:2.81572 Ang R4.NE and A9.N other bump:2.90609 Ang R4.CZ and A9.N other bump:2.41807 Ang R4.NH1 and A9.N other bump:2.59567 Ang R4.CD and V8.C other bump:2.86705 Ang R4.NE and V8.C other bump:2.952 Ang R4.CZ and V8.C other bump:2.65212 Ang R4.NH1 and V8.C other bump:3.17496 Ang R4.CB and V8.C other bump:2.32755 Ang R4.CD and V8.O other bump:2.47936 Ang R4.CZ and V8.O other bump:2.32645 Ang R4.CB and V8.O other bump:1.77864 Ang L2.CD1 and R4.NH2 other bump:2.25949 Ang L2.CD1 and R4.CZ other bump:2.15576 Ang L2.CD1 and R4.NE neighbor-bump: 1.99543 Ang D3.O and R4.CG neighbor-bump: 2.72253 Ang D3.C and R4.CG neighbor-bump: 2.12622 Ang D3.O and R4.CB neighbor-bump: 2.5666 Ang D3.C and R4.CB Number of specific fragments= 2 total=887 Number of alignments=184 # Reading fragments from alignment file # T0187 read from T0187-1jmyA-vit-adpstyle5.pw.a2m.gz # 1jmyA read from T0187-1jmyA-vit-adpstyle5.pw.a2m.gz # found chain 1jmyA in template set T0187 26 :RAVKETLPKLN 1jmyA 40 :KALENPQPHPG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.64871 Ang L11.O and N12.ND2 neighbor-bump: 1.78547 Ang L11.O and N12.CG neighbor-bump: 2.64909 Ang L11.C and N12.CG neighbor-bump: 2.20595 Ang L11.O and N12.CB neighbor-bump: 2.64751 Ang L11.C and N12.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFE 1jmyA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLS Fragment has 96 clashes (null) has 96 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.68231 Ang I6.CG2 and D47.OD2 other bump:0.711758 Ang E42.N and D46.OD2 other bump:1.79417 Ang E42.CA and D46.OD2 other bump:2.44955 Ang E42.C and D46.OD2 other bump:2.20727 Ang S41.CA and D46.OD2 other bump:2.08491 Ang S41.O and D46.OD2 other bump:1.17373 Ang S41.C and D46.OD2 other bump:1.01358 Ang S41.CB and D46.OD1 other bump:1.64345 Ang S41.OG and D46.OD1 other bump:1.69941 Ang S41.CA and D46.OD1 other bump:2.08932 Ang S41.C and D46.OD1 other bump:2.13817 Ang S41.CB and D46.CG other bump:1.92432 Ang E42.N and D46.CG other bump:2.819 Ang E42.CA and D46.CG other bump:3.24091 Ang E42.C and D46.CG other bump:2.5774 Ang S41.OG and D46.CG other bump:2.02156 Ang S41.CA and D46.CG other bump:1.92297 Ang S41.O and D46.CG other bump:1.40212 Ang S41.C and D46.CG other bump:2.9615 Ang E42.N and D46.CB other bump:3.20066 Ang E42.CA and D46.CB other bump:2.15472 Ang S41.O and D46.CB other bump:2.46799 Ang S41.C and D46.CB other bump:2.29524 Ang R4.NH1 and E42.OE2 other bump:1.88016 Ang V8.CA and E42.OE2 other bump:1.42304 Ang V8.C and E42.OE2 other bump:2.33843 Ang A9.N and E42.OE2 other bump:2.82598 Ang R4.CZ and E42.OE2 other bump:2.44856 Ang V8.N and E42.OE2 other bump:1.63573 Ang V8.O and E42.OE2 other bump:2.2216 Ang R4.NH1 and E42.OE1 other bump:2.1248 Ang R4.NH1 and E42.CD other bump:2.78986 Ang V8.CA and E42.CD other bump:2.51752 Ang V8.C and E42.CD other bump:3.03118 Ang R4.CZ and E42.CD other bump:2.81711 Ang K12.CD and K37.NZ other bump:1.53119 Ang G11.O and K37.CD other bump:2.66342 Ang G11.C and K37.CD other bump:2.59876 Ang Y22.O and K37.CD other bump:2.20026 Ang G11.O and K37.CG other bump:3.06458 Ang G11.C and K37.CG other bump:2.0932 Ang V24.CG1 and V35.CG2 other bump:2.51059 Ang V24.CB and V35.CG1 other bump:2.31982 Ang V24.CG1 and V35.CG1 other bump:1.83491 Ang V24.CG2 and V35.CG1 other bump:2.55456 Ang V24.CB and V35.CB other bump:1.47412 Ang V24.CG1 and V35.CB other bump:2.72098 Ang V24.CG2 and V35.CB other bump:2.7745 Ang V24.CG1 and V35.CA other bump:3.03116 Ang A13.CB and Y22.CE2 other bump:2.64264 Ang A14.O and A21.CB other bump:2.42773 Ang R16.O and K19.O neighbor-bump: 2.1483 Ang R16.O and M17.O neighbor-bump: 2.3275 Ang A13.CB and A14.N self-bump: 2.18098 Ang A13.CB and A13.C self-bump: 1.3139 Ang A13.CA and A13.CB other bump:2.90224 Ang V10.CG2 and A13.CA other bump:2.55356 Ang V10.CG2 and A13.N other bump:3.2092 Ang R4.CZ and V10.N neighbor-bump: 2.36671 Ang A9.CB and V10.N other bump:1.94626 Ang R4.NH1 and A9.C other bump:2.68072 Ang R4.NE and A9.C other bump:2.32665 Ang R4.CZ and A9.C self-bump: 2.17414 Ang A9.CB and A9.C other bump:2.97392 Ang R4.CD and A9.C other bump:1.49221 Ang R4.NH1 and A9.O other bump:2.44818 Ang R4.CZ and A9.O self-bump: 1.29073 Ang A9.CA and A9.CB other bump:2.21058 Ang R4.NE and A9.CB other bump:2.82614 Ang R4.CG and A9.CB other bump:1.53714 Ang R4.CD and A9.CB other bump:2.24793 Ang R4.NH1 and A9.CA other bump:1.99319 Ang R4.NE and A9.CA other bump:2.29499 Ang R4.CZ and A9.CA other bump:3.15842 Ang R4.CG and A9.CA other bump:1.65996 Ang R4.CD and A9.CA neighbor-bump: 2.43981 Ang V8.CG1 and A9.N other bump:2.41807 Ang R4.NH1 and A9.N other bump:2.81572 Ang R4.NE and A9.N other bump:2.90609 Ang R4.CZ and A9.N other bump:2.35814 Ang R4.CD and A9.N other bump:2.65212 Ang R4.NH1 and V8.C other bump:2.86705 Ang R4.NE and V8.C other bump:2.952 Ang R4.CZ and V8.C other bump:3.17496 Ang R4.CB and V8.C other bump:2.59567 Ang R4.CD and V8.C other bump:2.47936 Ang R4.CZ and V8.O other bump:2.32645 Ang R4.CB and V8.O other bump:2.32755 Ang R4.CD and V8.O other bump:1.77864 Ang L2.CD1 and R4.NH2 other bump:2.25949 Ang L2.CD1 and R4.CZ other bump:2.15576 Ang L2.CD1 and R4.NE neighbor-bump: 1.99543 Ang D3.O and R4.CG neighbor-bump: 2.72253 Ang D3.C and R4.CG neighbor-bump: 2.12622 Ang D3.O and R4.CB neighbor-bump: 2.5666 Ang D3.C and R4.CB T0187 87 :EAGHPVPDENTIKTTRRVLELVDQ 1jmyA 153 :TGDANLPGNYGLRDQHMAIAWVKR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.39991 Ang D9.CB and E10.N self-bump: 2.1778 Ang D9.CB and D9.C other bump:2.99215 Ang V7.CG1 and D9.OD1 self-bump: 1.29429 Ang D9.CA and D9.CB neighbor-bump: 2.62092 Ang H5.N and P6.CD neighbor-bump: 2.29496 Ang E2.O and A3.CB neighbor-bump: 2.54031 Ang E2.C and A3.CB T0187 111 :LNENDTVLFLLSGGGS 1jmyA 183 :GDPNNITLFGESAGGA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.78935 Ang L11.CD1 and G16.C other bump:3.19722 Ang L11.CG and G16.CA other bump:1.99646 Ang L11.CD1 and G16.CA other bump:2.82413 Ang L11.CG and G16.N other bump:1.34187 Ang L11.CD1 and G16.N other bump:2.89832 Ang L11.CB and G15.C other bump:2.08836 Ang L11.CG and G15.C other bump:0.893152 Ang L11.CD1 and G15.C other bump:2.63672 Ang L11.CD2 and G15.C other bump:1.60354 Ang L11.CG and G15.O other bump:1.21614 Ang L11.CD1 and G15.O other bump:1.69106 Ang L11.CD2 and G15.O other bump:3.17451 Ang L11.CB and G15.CA other bump:2.98583 Ang L11.CG and G15.CA other bump:2.25713 Ang L11.CD1 and G15.CA neighbor-bump: 2.42246 Ang L12.CB and S13.N self-bump: 2.1917 Ang L12.CB and L12.C self-bump: 1.28431 Ang L12.CA and L12.CB Number of specific fragments= 4 total=891 Number of alignments=185 # Prefix for input files set to 1f6wA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from T0187-1f6wA-local-adpstyle1.pw.a2m.gz # 1f6wA read from T0187-1f6wA-local-adpstyle1.pw.a2m.gz # adding 1f6wA to template set 1f6wA:# found chain 1f6wA in template set T0187 15 :VKKSIEAVFPDRAVKETLPKLN 1f6wA 29 :IFKGIPFAAPTKALENPQPHPG Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.06077 Ang L22.O and N23.CG neighbor-bump: 2.74846 Ang L22.C and N23.CG neighbor-bump: 2.27902 Ang L22.O and N23.CB neighbor-bump: 2.68688 Ang L22.C and N23.CB other bump:2.847 Ang E7.C and K21.NZ other bump:2.14873 Ang A8.N and K21.NZ other bump:2.82471 Ang A8.C and K21.NZ other bump:1.89943 Ang V9.N and K21.NZ other bump:2.99319 Ang E7.C and K21.CE other bump:2.27814 Ang A8.N and K21.CE other bump:2.44117 Ang V9.C and K21.CE other bump:2.43012 Ang A8.CA and K21.CE other bump:1.70443 Ang A8.C and K21.CE other bump:0.69283 Ang V9.N and K21.CE other bump:1.87755 Ang V9.CA and K21.CE other bump:2.85841 Ang E7.C and K21.CD other bump:2.81504 Ang A8.N and K21.CD other bump:2.88536 Ang V9.C and K21.CD other bump:3.02067 Ang A8.CA and K21.CD other bump:2.58222 Ang A8.C and K21.CD other bump:2.04662 Ang V9.N and K21.CD other bump:2.76804 Ang V9.CA and K21.CD other bump:2.42993 Ang V9.C and K21.CG other bump:2.74505 Ang F10.N and K21.CG other bump:2.81329 Ang V9.N and K21.CG other bump:2.72 Ang V9.CA and K21.CG other bump:2.71315 Ang V9.CB and T18.CG2 other bump:2.94519 Ang V9.CG1 and T18.CG2 other bump:2.69645 Ang R13.CD and K16.NZ other bump:3.11765 Ang R13.NE and K16.NZ other bump:3.06547 Ang R13.CD and K16.CG neighbor-bump: 2.64452 Ang A14.C and V15.CB neighbor-bump: 3.06647 Ang A8.C and V9.CG1 neighbor-bump: 1.97155 Ang K4.O and S5.CB neighbor-bump: 2.28782 Ang K4.C and S5.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1f6wA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 89 clashes (null) has 89 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.06025 Ang E49.CG and G57.CA other bump:2.16216 Ang E49.CD and G57.CA other bump:2.15394 Ang E49.OE1 and G57.CA other bump:2.64485 Ang E49.CG and G57.N other bump:2.96872 Ang E49.CD and G57.N other bump:3.09508 Ang E49.CG and P56.C other bump:3.09105 Ang E49.CD and P56.C other bump:2.56062 Ang E49.CD and P56.O other bump:2.2756 Ang E49.OE2 and P56.O other bump:2.10323 Ang F48.O and H55.NE2 other bump:2.60262 Ang F48.C and H55.NE2 other bump:2.43257 Ang F48.O and H55.CD2 other bump:2.77334 Ang F48.C and H55.CD2 other bump:2.69995 Ang E49.CA and H55.CD2 other bump:2.44298 Ang I50.CD1 and E52.OE2 other bump:2.83028 Ang I50.CD1 and E52.CD other bump:2.99211 Ang I50.CG1 and E52.CG other bump:2.54745 Ang I50.CD1 and E52.CG neighbor-bump: 2.23188 Ang I50.O and Y51.CB neighbor-bump: 2.55399 Ang I50.C and Y51.CB other bump:1.71199 Ang P44.CB and F48.CZ other bump:2.19956 Ang P44.CG and F48.CZ other bump:2.73204 Ang P44.CA and F48.CZ other bump:3.02167 Ang P44.CB and F48.CE2 other bump:0.985859 Ang P44.CB and F48.CE1 other bump:2.28382 Ang P44.CG and F48.CE1 other bump:1.67266 Ang P44.CA and F48.CE1 other bump:2.39774 Ang P44.C and F48.CE1 other bump:2.28437 Ang P44.CB and F48.CD1 other bump:2.08874 Ang P44.CA and F48.CD1 other bump:2.06315 Ang P44.O and F48.CD1 other bump:2.11896 Ang P44.C and F48.CD1 other bump:2.91106 Ang I6.CG2 and D47.OD2 other bump:1.81563 Ang E42.CA and D46.OD2 other bump:0.746974 Ang E42.N and D46.OD2 other bump:2.76252 Ang S41.CB and D46.OD2 other bump:2.10213 Ang S41.CA and D46.OD2 other bump:1.93223 Ang S41.O and D46.OD2 other bump:1.03477 Ang S41.C and D46.OD2 other bump:2.55034 Ang E42.C and D46.OD2 other bump:0.969963 Ang S41.CB and D46.OD1 other bump:1.48492 Ang S41.OG and D46.OD1 other bump:1.76637 Ang S41.CA and D46.OD1 other bump:2.15894 Ang S41.C and D46.OD1 other bump:2.86124 Ang E42.CA and D46.CG other bump:1.99188 Ang E42.N and D46.CG other bump:2.06376 Ang S41.CB and D46.CG other bump:2.40989 Ang S41.OG and D46.CG other bump:2.01583 Ang S41.CA and D46.CG other bump:1.90771 Ang S41.O and D46.CG other bump:1.44062 Ang S41.C and D46.CG other bump:3.26814 Ang E42.CA and D46.CB other bump:3.0382 Ang E42.N and D46.CB other bump:2.21371 Ang S41.O and D46.CB other bump:2.54562 Ang S41.C and D46.CB other bump:1.51376 Ang V8.C and E42.OE2 other bump:2.20063 Ang A9.N and E42.OE2 other bump:2.14633 Ang V8.N and E42.OE2 other bump:1.39784 Ang V8.CA and E42.OE2 other bump:2.26183 Ang V8.O and E42.OE2 other bump:2.56687 Ang V8.C and E42.CD other bump:2.72966 Ang A9.N and E42.CD other bump:2.46302 Ang V8.CA and E42.CD other bump:2.05871 Ang K12.CD and K37.NZ other bump:1.64159 Ang G11.O and K37.CD other bump:2.34888 Ang G11.C and K37.CD other bump:3.08839 Ang G11.CA and K37.CD other bump:2.941 Ang G11.C and K37.CG other bump:2.89146 Ang G11.CA and K37.CG other bump:2.76082 Ang V24.CG1 and V35.CG2 other bump:2.83521 Ang V24.CB and V35.CG1 other bump:2.19085 Ang V24.CG1 and V35.CG1 other bump:2.48995 Ang V24.CG2 and V35.CG1 other bump:3.13154 Ang V24.CB and V35.CB other bump:1.80082 Ang V24.CG1 and V35.CB other bump:3.00743 Ang V24.CG1 and V35.CA other bump:2.69929 Ang K28.CG and V33.O other bump:3.07789 Ang A14.CB and A21.CB other bump:2.2979 Ang A14.O and A21.N other bump:2.51423 Ang A13.O and W15.CD1 other bump:2.9294 Ang A9.CB and A13.CB other bump:2.99489 Ang V10.N and A13.CB other bump:2.60619 Ang V10.CG2 and A13.CA other bump:2.40664 Ang V10.CG2 and A13.N neighbor-bump: 2.35336 Ang A9.CB and V10.N self-bump: 2.16483 Ang A9.CB and A9.C other bump:2.37507 Ang R4.NH1 and A9.CB self-bump: 1.2743 Ang A9.CA and A9.CB neighbor-bump: 2.62254 Ang V5.C and I6.CB Number of specific fragments= 2 total=893 Number of alignments=186 # Reading fragments from alignment file # T0187 read from T0187-1f6wA-local-adpstyle5.pw.a2m.gz # 1f6wA read from T0187-1f6wA-local-adpstyle5.pw.a2m.gz # found chain 1f6wA in template set T0187 26 :RAVKETLPKLN 1f6wA 40 :KALENPQPHPG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.06077 Ang L11.O and N12.CG neighbor-bump: 2.74846 Ang L11.C and N12.CG neighbor-bump: 2.27902 Ang L11.O and N12.CB neighbor-bump: 2.68688 Ang L11.C and N12.CB neighbor-bump: 2.64452 Ang A3.C and V4.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFE 1f6wA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLS Fragment has 69 clashes (null) has 69 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.73204 Ang P44.CA and F48.CZ other bump:1.71199 Ang P44.CB and F48.CZ other bump:2.19956 Ang P44.CG and F48.CZ other bump:3.02167 Ang P44.CB and F48.CE2 other bump:1.67266 Ang P44.CA and F48.CE1 other bump:0.985859 Ang P44.CB and F48.CE1 other bump:2.28382 Ang P44.CG and F48.CE1 other bump:2.39774 Ang P44.C and F48.CE1 other bump:2.08874 Ang P44.CA and F48.CD1 other bump:2.28437 Ang P44.CB and F48.CD1 other bump:2.11896 Ang P44.C and F48.CD1 other bump:2.06315 Ang P44.O and F48.CD1 other bump:2.91106 Ang I6.CG2 and D47.OD2 other bump:2.55034 Ang E42.C and D46.OD2 other bump:2.10213 Ang S41.CA and D46.OD2 other bump:1.93223 Ang S41.O and D46.OD2 other bump:1.03477 Ang S41.C and D46.OD2 other bump:0.746974 Ang E42.N and D46.OD2 other bump:1.81563 Ang E42.CA and D46.OD2 other bump:2.76252 Ang S41.CB and D46.OD2 other bump:1.76637 Ang S41.CA and D46.OD1 other bump:2.15894 Ang S41.C and D46.OD1 other bump:0.969963 Ang S41.CB and D46.OD1 other bump:1.48492 Ang S41.OG and D46.OD1 other bump:2.01583 Ang S41.CA and D46.CG other bump:1.90771 Ang S41.O and D46.CG other bump:1.44062 Ang S41.C and D46.CG other bump:1.99188 Ang E42.N and D46.CG other bump:2.86124 Ang E42.CA and D46.CG other bump:2.06376 Ang S41.CB and D46.CG other bump:2.40989 Ang S41.OG and D46.CG other bump:2.21371 Ang S41.O and D46.CB other bump:2.54562 Ang S41.C and D46.CB other bump:3.0382 Ang E42.N and D46.CB other bump:3.26814 Ang E42.CA and D46.CB other bump:1.39784 Ang V8.CA and E42.OE2 other bump:1.51376 Ang V8.C and E42.OE2 other bump:2.20063 Ang A9.N and E42.OE2 other bump:2.14633 Ang V8.N and E42.OE2 other bump:2.26183 Ang V8.O and E42.OE2 other bump:2.46302 Ang V8.CA and E42.CD other bump:2.56687 Ang V8.C and E42.CD other bump:2.72966 Ang A9.N and E42.CD other bump:2.05871 Ang K12.CD and K37.NZ other bump:3.08839 Ang G11.CA and K37.CD other bump:1.64159 Ang G11.O and K37.CD other bump:2.34888 Ang G11.C and K37.CD other bump:2.89146 Ang G11.CA and K37.CG other bump:2.941 Ang G11.C and K37.CG other bump:2.76082 Ang V24.CG1 and V35.CG2 other bump:2.83521 Ang V24.CB and V35.CG1 other bump:2.19085 Ang V24.CG1 and V35.CG1 other bump:2.48995 Ang V24.CG2 and V35.CG1 other bump:3.13154 Ang V24.CB and V35.CB other bump:1.80082 Ang V24.CG1 and V35.CB other bump:3.00743 Ang V24.CG1 and V35.CA other bump:2.69929 Ang K28.CG and V33.O other bump:3.07789 Ang A14.CB and A21.CB other bump:2.2979 Ang A14.O and A21.N other bump:2.51423 Ang A13.O and W15.CD1 other bump:2.9294 Ang A9.CB and A13.CB other bump:2.99489 Ang V10.N and A13.CB other bump:2.60619 Ang V10.CG2 and A13.CA other bump:2.40664 Ang V10.CG2 and A13.N neighbor-bump: 2.35336 Ang A9.CB and V10.N self-bump: 2.16483 Ang A9.CB and A9.C other bump:2.37507 Ang R4.NH1 and A9.CB self-bump: 1.2743 Ang A9.CA and A9.CB neighbor-bump: 2.62254 Ang V5.C and I6.CB T0187 87 :EAGHPVPDENTIKTTRRVLELVDQ 1f6wA 153 :TGDANLPGNYGLRDQHMAIAWVKR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.92745 Ang K14.CE and R17.NH2 other bump:2.73951 Ang K14.CG and R17.NH2 neighbor-bump: 2.42696 Ang D9.CB and E10.N self-bump: 2.16788 Ang D9.CB and D9.C self-bump: 1.26018 Ang D9.CA and D9.CB neighbor-bump: 2.20484 Ang E2.O and A3.CB neighbor-bump: 2.49322 Ang E2.C and A3.CB T0187 111 :LNENDTVLFLLSGGGSS 1f6wA 183 :GDPDNITLFGESAGGAS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.71093 Ang L11.CD2 and G19.N other bump:2.79487 Ang L11.CD1 and G16.C other bump:2.0129 Ang L11.CD1 and G16.CA other bump:3.15718 Ang L11.CG and G16.CA other bump:3.2534 Ang L12.C and G16.N other bump:1.4157 Ang L11.CD1 and G16.N other bump:3.22319 Ang L11.C and G16.N other bump:2.84525 Ang L11.CG and G16.N other bump:2.76371 Ang L11.CB and G15.C other bump:0.813241 Ang L11.CD1 and G15.C other bump:2.07828 Ang L11.CG and G15.C other bump:2.80203 Ang L11.CD2 and G15.C other bump:2.6299 Ang L11.CB and G15.O other bump:0.936245 Ang L11.CD1 and G15.O other bump:1.40614 Ang L11.CG and G15.O other bump:1.74164 Ang L11.CD2 and G15.O other bump:3.08054 Ang L11.CB and G15.CA other bump:2.25384 Ang L11.CD1 and G15.CA other bump:3.03299 Ang L11.CG and G15.CA Number of specific fragments= 4 total=897 Number of alignments=187 # Reading fragments from alignment file # T0187 read from T0187-1f6wA-simpleSW-adpstyle1.pw.a2m.gz # 1f6wA read from T0187-1f6wA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1f6wA in template set T0187 41 :ILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1f6wA 109 :FLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 88 clashes (null) has 88 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 53 residues other bump:2.06025 Ang E45.CG and G53.CA other bump:2.16216 Ang E45.CD and G53.CA other bump:2.15394 Ang E45.OE1 and G53.CA other bump:2.64485 Ang E45.CG and G53.N other bump:2.96872 Ang E45.CD and G53.N other bump:3.09508 Ang E45.CG and P52.C other bump:3.09105 Ang E45.CD and P52.C other bump:2.56062 Ang E45.CD and P52.O other bump:2.2756 Ang E45.OE2 and P52.O other bump:2.10323 Ang F44.O and H51.NE2 other bump:2.60262 Ang F44.C and H51.NE2 other bump:2.43257 Ang F44.O and H51.CD2 other bump:2.77334 Ang F44.C and H51.CD2 other bump:2.69995 Ang E45.CA and H51.CD2 other bump:2.44298 Ang I46.CD1 and E48.OE2 other bump:2.83028 Ang I46.CD1 and E48.CD other bump:2.99211 Ang I46.CG1 and E48.CG other bump:2.54745 Ang I46.CD1 and E48.CG neighbor-bump: 2.23188 Ang I46.O and Y47.CB neighbor-bump: 2.55399 Ang I46.C and Y47.CB other bump:1.71199 Ang P40.CB and F44.CZ other bump:2.19956 Ang P40.CG and F44.CZ other bump:2.73204 Ang P40.CA and F44.CZ other bump:3.02167 Ang P40.CB and F44.CE2 other bump:0.985859 Ang P40.CB and F44.CE1 other bump:2.28382 Ang P40.CG and F44.CE1 other bump:1.67266 Ang P40.CA and F44.CE1 other bump:2.39774 Ang P40.C and F44.CE1 other bump:2.28437 Ang P40.CB and F44.CD1 other bump:2.08874 Ang P40.CA and F44.CD1 other bump:2.06315 Ang P40.O and F44.CD1 other bump:2.11896 Ang P40.C and F44.CD1 other bump:2.91106 Ang I2.CG2 and D43.OD2 other bump:1.81563 Ang E38.CA and D42.OD2 other bump:0.746974 Ang E38.N and D42.OD2 other bump:2.76252 Ang S37.CB and D42.OD2 other bump:2.10213 Ang S37.CA and D42.OD2 other bump:1.93223 Ang S37.O and D42.OD2 other bump:1.03477 Ang S37.C and D42.OD2 other bump:2.55034 Ang E38.C and D42.OD2 other bump:0.969963 Ang S37.CB and D42.OD1 other bump:1.48492 Ang S37.OG and D42.OD1 other bump:1.76637 Ang S37.CA and D42.OD1 other bump:2.15894 Ang S37.C and D42.OD1 other bump:2.86124 Ang E38.CA and D42.CG other bump:1.99188 Ang E38.N and D42.CG other bump:2.06376 Ang S37.CB and D42.CG other bump:2.40989 Ang S37.OG and D42.CG other bump:2.01583 Ang S37.CA and D42.CG other bump:1.90771 Ang S37.O and D42.CG other bump:1.44062 Ang S37.C and D42.CG other bump:3.26814 Ang E38.CA and D42.CB other bump:3.0382 Ang E38.N and D42.CB other bump:2.21371 Ang S37.O and D42.CB other bump:2.54562 Ang S37.C and D42.CB other bump:1.51376 Ang V4.C and E38.OE2 other bump:2.20063 Ang A5.N and E38.OE2 other bump:2.14633 Ang V4.N and E38.OE2 other bump:1.39784 Ang V4.CA and E38.OE2 other bump:2.26183 Ang V4.O and E38.OE2 other bump:2.56687 Ang V4.C and E38.CD other bump:2.72966 Ang A5.N and E38.CD other bump:2.46302 Ang V4.CA and E38.CD other bump:2.05871 Ang K8.CD and K33.NZ other bump:1.64159 Ang G7.O and K33.CD other bump:2.34888 Ang G7.C and K33.CD other bump:3.08839 Ang G7.CA and K33.CD other bump:2.941 Ang G7.C and K33.CG other bump:2.89146 Ang G7.CA and K33.CG other bump:2.76082 Ang V20.CG1 and V31.CG2 other bump:2.83521 Ang V20.CB and V31.CG1 other bump:2.19085 Ang V20.CG1 and V31.CG1 other bump:2.48995 Ang V20.CG2 and V31.CG1 other bump:3.13154 Ang V20.CB and V31.CB other bump:1.80082 Ang V20.CG1 and V31.CB other bump:3.00743 Ang V20.CG1 and V31.CA other bump:2.69929 Ang K24.CG and V29.O other bump:3.07789 Ang A10.CB and A17.CB other bump:2.2979 Ang A10.O and A17.N other bump:2.51423 Ang A9.O and W11.CD1 other bump:2.9294 Ang A5.CB and A9.CB other bump:2.99489 Ang V6.N and A9.CB other bump:2.60619 Ang V6.CG2 and A9.CA other bump:2.40664 Ang V6.CG2 and A9.N neighbor-bump: 2.35336 Ang A5.CB and V6.N self-bump: 2.16483 Ang A5.CB and A5.C self-bump: 1.2743 Ang A5.CA and A5.CB neighbor-bump: 2.62253 Ang G1.C and I2.CB Number of specific fragments= 1 total=898 Number of alignments=188 # Reading fragments from alignment file # T0187 read from T0187-1f6wA-simpleSW-adpstyle5.pw.a2m.gz # 1f6wA read from T0187-1f6wA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1f6wA in template set T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1f6wA 106 :GGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 89 clashes (null) has 89 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 56 residues other bump:2.06025 Ang E48.CG and G56.CA other bump:2.16216 Ang E48.CD and G56.CA other bump:2.15394 Ang E48.OE1 and G56.CA other bump:2.64485 Ang E48.CG and G56.N other bump:2.96872 Ang E48.CD and G56.N other bump:3.09508 Ang E48.CG and P55.C other bump:3.09105 Ang E48.CD and P55.C other bump:2.56062 Ang E48.CD and P55.O other bump:2.2756 Ang E48.OE2 and P55.O other bump:2.10323 Ang F47.O and H54.NE2 other bump:2.60262 Ang F47.C and H54.NE2 other bump:2.43257 Ang F47.O and H54.CD2 other bump:2.77334 Ang F47.C and H54.CD2 other bump:2.69995 Ang E48.CA and H54.CD2 other bump:2.44298 Ang I49.CD1 and E51.OE2 other bump:2.83028 Ang I49.CD1 and E51.CD other bump:2.99211 Ang I49.CG1 and E51.CG other bump:2.54745 Ang I49.CD1 and E51.CG neighbor-bump: 2.23188 Ang I49.O and Y50.CB neighbor-bump: 2.55399 Ang I49.C and Y50.CB other bump:1.71199 Ang P43.CB and F47.CZ other bump:2.19956 Ang P43.CG and F47.CZ other bump:2.73204 Ang P43.CA and F47.CZ other bump:3.02167 Ang P43.CB and F47.CE2 other bump:0.985859 Ang P43.CB and F47.CE1 other bump:2.28382 Ang P43.CG and F47.CE1 other bump:1.67266 Ang P43.CA and F47.CE1 other bump:2.39774 Ang P43.C and F47.CE1 other bump:2.28437 Ang P43.CB and F47.CD1 other bump:2.08874 Ang P43.CA and F47.CD1 other bump:2.06315 Ang P43.O and F47.CD1 other bump:2.11896 Ang P43.C and F47.CD1 other bump:2.91106 Ang I5.CG2 and D46.OD2 other bump:1.81563 Ang E41.CA and D45.OD2 other bump:0.746974 Ang E41.N and D45.OD2 other bump:2.76252 Ang S40.CB and D45.OD2 other bump:2.10213 Ang S40.CA and D45.OD2 other bump:1.93223 Ang S40.O and D45.OD2 other bump:1.03477 Ang S40.C and D45.OD2 other bump:2.55034 Ang E41.C and D45.OD2 other bump:0.969963 Ang S40.CB and D45.OD1 other bump:1.48492 Ang S40.OG and D45.OD1 other bump:1.76637 Ang S40.CA and D45.OD1 other bump:2.15894 Ang S40.C and D45.OD1 other bump:2.86124 Ang E41.CA and D45.CG other bump:1.99188 Ang E41.N and D45.CG other bump:2.06376 Ang S40.CB and D45.CG other bump:2.40989 Ang S40.OG and D45.CG other bump:2.01583 Ang S40.CA and D45.CG other bump:1.90771 Ang S40.O and D45.CG other bump:1.44062 Ang S40.C and D45.CG other bump:3.26814 Ang E41.CA and D45.CB other bump:3.0382 Ang E41.N and D45.CB other bump:2.21371 Ang S40.O and D45.CB other bump:2.54562 Ang S40.C and D45.CB other bump:1.51376 Ang V7.C and E41.OE2 other bump:2.20063 Ang A8.N and E41.OE2 other bump:2.14633 Ang V7.N and E41.OE2 other bump:1.39784 Ang V7.CA and E41.OE2 other bump:2.26183 Ang V7.O and E41.OE2 other bump:2.56687 Ang V7.C and E41.CD other bump:2.72966 Ang A8.N and E41.CD other bump:2.46302 Ang V7.CA and E41.CD other bump:2.05871 Ang K11.CD and K36.NZ other bump:1.64159 Ang G10.O and K36.CD other bump:2.34888 Ang G10.C and K36.CD other bump:3.08839 Ang G10.CA and K36.CD other bump:2.941 Ang G10.C and K36.CG other bump:2.89146 Ang G10.CA and K36.CG other bump:2.76082 Ang V23.CG1 and V34.CG2 other bump:2.83521 Ang V23.CB and V34.CG1 other bump:2.19085 Ang V23.CG1 and V34.CG1 other bump:2.48995 Ang V23.CG2 and V34.CG1 other bump:3.13154 Ang V23.CB and V34.CB other bump:1.80082 Ang V23.CG1 and V34.CB other bump:3.00743 Ang V23.CG1 and V34.CA other bump:2.69929 Ang K27.CG and V32.O other bump:3.07789 Ang A13.CB and A20.CB other bump:2.2979 Ang A13.O and A20.N other bump:2.51423 Ang A12.O and W14.CD1 other bump:2.9294 Ang A8.CB and A12.CB other bump:2.99489 Ang V9.N and A12.CB other bump:2.60619 Ang V9.CG2 and A12.CA other bump:2.40664 Ang V9.CG2 and A12.N neighbor-bump: 2.35336 Ang A8.CB and V9.N self-bump: 2.16483 Ang A8.CB and A8.C other bump:2.37507 Ang R3.NH1 and A8.CB self-bump: 1.2743 Ang A8.CA and A8.CB neighbor-bump: 2.62254 Ang V4.C and I5.CB T0187 94 :DENTIKTTRRVLEL 1f6wA 160 :GNYGLRDQHMAIAW Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.92745 Ang K7.CE and R10.NH2 other bump:2.73951 Ang K7.CG and R10.NH2 neighbor-bump: 2.42696 Ang D2.CB and E3.N self-bump: 2.16788 Ang D2.CB and D2.C self-bump: 1.26018 Ang D2.CA and D2.CB Number of specific fragments= 2 total=900 Number of alignments=189 # Reading fragments from alignment file # T0187 read from T0187-1f6wA-vit-adpstyle1.pw.a2m.gz # 1f6wA read from T0187-1f6wA-vit-adpstyle1.pw.a2m.gz # found chain 1f6wA in template set T0187 15 :VKKSIEAVFPDRAVKETLPKLN 1f6wA 29 :IFKGIPFAAPTKALENPQPHPG Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.06077 Ang L22.O and N23.CG neighbor-bump: 2.74846 Ang L22.C and N23.CG neighbor-bump: 2.27902 Ang L22.O and N23.CB neighbor-bump: 2.68688 Ang L22.C and N23.CB other bump:2.847 Ang E7.C and K21.NZ other bump:2.14873 Ang A8.N and K21.NZ other bump:2.82471 Ang A8.C and K21.NZ other bump:1.89943 Ang V9.N and K21.NZ other bump:2.99319 Ang E7.C and K21.CE other bump:2.27814 Ang A8.N and K21.CE other bump:2.44117 Ang V9.C and K21.CE other bump:2.43012 Ang A8.CA and K21.CE other bump:1.70443 Ang A8.C and K21.CE other bump:0.69283 Ang V9.N and K21.CE other bump:1.87755 Ang V9.CA and K21.CE other bump:2.85841 Ang E7.C and K21.CD other bump:2.81504 Ang A8.N and K21.CD other bump:2.88536 Ang V9.C and K21.CD other bump:3.02067 Ang A8.CA and K21.CD other bump:2.58222 Ang A8.C and K21.CD other bump:2.04662 Ang V9.N and K21.CD other bump:2.76804 Ang V9.CA and K21.CD other bump:2.42993 Ang V9.C and K21.CG other bump:2.74505 Ang F10.N and K21.CG other bump:2.81329 Ang V9.N and K21.CG other bump:2.72 Ang V9.CA and K21.CG other bump:2.71315 Ang V9.CB and T18.CG2 other bump:2.94519 Ang V9.CG1 and T18.CG2 other bump:2.69645 Ang R13.CD and K16.NZ other bump:3.11765 Ang R13.NE and K16.NZ other bump:3.06547 Ang R13.CD and K16.CG neighbor-bump: 2.64452 Ang A14.C and V15.CB neighbor-bump: 3.06647 Ang A8.C and V9.CG1 neighbor-bump: 1.97155 Ang K4.O and S5.CB neighbor-bump: 2.28782 Ang K4.C and S5.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1f6wA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDANLP Fragment has 89 clashes (null) has 89 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.06025 Ang E49.CG and G57.CA other bump:2.16216 Ang E49.CD and G57.CA other bump:2.15394 Ang E49.OE1 and G57.CA other bump:2.64485 Ang E49.CG and G57.N other bump:2.96872 Ang E49.CD and G57.N other bump:3.09508 Ang E49.CG and P56.C other bump:3.09105 Ang E49.CD and P56.C other bump:2.56062 Ang E49.CD and P56.O other bump:2.2756 Ang E49.OE2 and P56.O other bump:2.10323 Ang F48.O and H55.NE2 other bump:2.60262 Ang F48.C and H55.NE2 other bump:2.43257 Ang F48.O and H55.CD2 other bump:2.77334 Ang F48.C and H55.CD2 other bump:2.69995 Ang E49.CA and H55.CD2 other bump:2.44298 Ang I50.CD1 and E52.OE2 other bump:2.83028 Ang I50.CD1 and E52.CD other bump:2.99211 Ang I50.CG1 and E52.CG other bump:2.54745 Ang I50.CD1 and E52.CG neighbor-bump: 2.23188 Ang I50.O and Y51.CB neighbor-bump: 2.55399 Ang I50.C and Y51.CB other bump:1.71199 Ang P44.CB and F48.CZ other bump:2.19956 Ang P44.CG and F48.CZ other bump:2.73204 Ang P44.CA and F48.CZ other bump:3.02167 Ang P44.CB and F48.CE2 other bump:0.985859 Ang P44.CB and F48.CE1 other bump:2.28382 Ang P44.CG and F48.CE1 other bump:1.67266 Ang P44.CA and F48.CE1 other bump:2.39774 Ang P44.C and F48.CE1 other bump:2.28437 Ang P44.CB and F48.CD1 other bump:2.08874 Ang P44.CA and F48.CD1 other bump:2.06315 Ang P44.O and F48.CD1 other bump:2.11896 Ang P44.C and F48.CD1 other bump:2.91106 Ang I6.CG2 and D47.OD2 other bump:1.81563 Ang E42.CA and D46.OD2 other bump:0.746974 Ang E42.N and D46.OD2 other bump:2.76252 Ang S41.CB and D46.OD2 other bump:2.10213 Ang S41.CA and D46.OD2 other bump:1.93223 Ang S41.O and D46.OD2 other bump:1.03477 Ang S41.C and D46.OD2 other bump:2.55034 Ang E42.C and D46.OD2 other bump:0.969963 Ang S41.CB and D46.OD1 other bump:1.48492 Ang S41.OG and D46.OD1 other bump:1.76637 Ang S41.CA and D46.OD1 other bump:2.15894 Ang S41.C and D46.OD1 other bump:2.86124 Ang E42.CA and D46.CG other bump:1.99188 Ang E42.N and D46.CG other bump:2.06376 Ang S41.CB and D46.CG other bump:2.40989 Ang S41.OG and D46.CG other bump:2.01583 Ang S41.CA and D46.CG other bump:1.90771 Ang S41.O and D46.CG other bump:1.44062 Ang S41.C and D46.CG other bump:3.26814 Ang E42.CA and D46.CB other bump:3.0382 Ang E42.N and D46.CB other bump:2.21371 Ang S41.O and D46.CB other bump:2.54562 Ang S41.C and D46.CB other bump:1.51376 Ang V8.C and E42.OE2 other bump:2.20063 Ang A9.N and E42.OE2 other bump:2.14633 Ang V8.N and E42.OE2 other bump:1.39784 Ang V8.CA and E42.OE2 other bump:2.26183 Ang V8.O and E42.OE2 other bump:2.56687 Ang V8.C and E42.CD other bump:2.72966 Ang A9.N and E42.CD other bump:2.46302 Ang V8.CA and E42.CD other bump:2.05871 Ang K12.CD and K37.NZ other bump:1.64159 Ang G11.O and K37.CD other bump:2.34888 Ang G11.C and K37.CD other bump:3.08839 Ang G11.CA and K37.CD other bump:2.941 Ang G11.C and K37.CG other bump:2.89146 Ang G11.CA and K37.CG other bump:2.76082 Ang V24.CG1 and V35.CG2 other bump:2.83521 Ang V24.CB and V35.CG1 other bump:2.19085 Ang V24.CG1 and V35.CG1 other bump:2.48995 Ang V24.CG2 and V35.CG1 other bump:3.13154 Ang V24.CB and V35.CB other bump:1.80082 Ang V24.CG1 and V35.CB other bump:3.00743 Ang V24.CG1 and V35.CA other bump:2.69929 Ang K28.CG and V33.O other bump:3.07789 Ang A14.CB and A21.CB other bump:2.2979 Ang A14.O and A21.N other bump:2.51423 Ang A13.O and W15.CD1 other bump:2.9294 Ang A9.CB and A13.CB other bump:2.99489 Ang V10.N and A13.CB other bump:2.60619 Ang V10.CG2 and A13.CA other bump:2.40664 Ang V10.CG2 and A13.N neighbor-bump: 2.35336 Ang A9.CB and V10.N self-bump: 2.16483 Ang A9.CB and A9.C other bump:2.37507 Ang R4.NH1 and A9.CB self-bump: 1.2743 Ang A9.CA and A9.CB neighbor-bump: 2.62254 Ang V5.C and I6.CB Number of specific fragments= 2 total=902 Number of alignments=190 # Reading fragments from alignment file # T0187 read from T0187-1f6wA-vit-adpstyle5.pw.a2m.gz # 1f6wA read from T0187-1f6wA-vit-adpstyle5.pw.a2m.gz # found chain 1f6wA in template set T0187 26 :RAVKETLPKLN 1f6wA 40 :KALENPQPHPG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.06077 Ang L11.O and N12.CG neighbor-bump: 2.74846 Ang L11.C and N12.CG neighbor-bump: 2.27902 Ang L11.O and N12.CB neighbor-bump: 2.68688 Ang L11.C and N12.CB neighbor-bump: 2.64452 Ang A3.C and V4.CB T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFE 1f6wA 105 :YGGAFLMGSGHGANFLNNYLYDGEEIATRGNVIVVTFNYRVGPLGFLS Fragment has 69 clashes (null) has 69 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.73204 Ang P44.CA and F48.CZ other bump:1.71199 Ang P44.CB and F48.CZ other bump:2.19956 Ang P44.CG and F48.CZ other bump:3.02167 Ang P44.CB and F48.CE2 other bump:1.67266 Ang P44.CA and F48.CE1 other bump:0.985859 Ang P44.CB and F48.CE1 other bump:2.28382 Ang P44.CG and F48.CE1 other bump:2.39774 Ang P44.C and F48.CE1 other bump:2.08874 Ang P44.CA and F48.CD1 other bump:2.28437 Ang P44.CB and F48.CD1 other bump:2.11896 Ang P44.C and F48.CD1 other bump:2.06315 Ang P44.O and F48.CD1 other bump:2.91106 Ang I6.CG2 and D47.OD2 other bump:2.55034 Ang E42.C and D46.OD2 other bump:2.10213 Ang S41.CA and D46.OD2 other bump:1.93223 Ang S41.O and D46.OD2 other bump:1.03477 Ang S41.C and D46.OD2 other bump:0.746974 Ang E42.N and D46.OD2 other bump:1.81563 Ang E42.CA and D46.OD2 other bump:2.76252 Ang S41.CB and D46.OD2 other bump:1.76637 Ang S41.CA and D46.OD1 other bump:2.15894 Ang S41.C and D46.OD1 other bump:0.969963 Ang S41.CB and D46.OD1 other bump:1.48492 Ang S41.OG and D46.OD1 other bump:2.01583 Ang S41.CA and D46.CG other bump:1.90771 Ang S41.O and D46.CG other bump:1.44062 Ang S41.C and D46.CG other bump:1.99188 Ang E42.N and D46.CG other bump:2.86124 Ang E42.CA and D46.CG other bump:2.06376 Ang S41.CB and D46.CG other bump:2.40989 Ang S41.OG and D46.CG other bump:2.21371 Ang S41.O and D46.CB other bump:2.54562 Ang S41.C and D46.CB other bump:3.0382 Ang E42.N and D46.CB other bump:3.26814 Ang E42.CA and D46.CB other bump:1.39784 Ang V8.CA and E42.OE2 other bump:1.51376 Ang V8.C and E42.OE2 other bump:2.20063 Ang A9.N and E42.OE2 other bump:2.14633 Ang V8.N and E42.OE2 other bump:2.26183 Ang V8.O and E42.OE2 other bump:2.46302 Ang V8.CA and E42.CD other bump:2.56687 Ang V8.C and E42.CD other bump:2.72966 Ang A9.N and E42.CD other bump:2.05871 Ang K12.CD and K37.NZ other bump:3.08839 Ang G11.CA and K37.CD other bump:1.64159 Ang G11.O and K37.CD other bump:2.34888 Ang G11.C and K37.CD other bump:2.89146 Ang G11.CA and K37.CG other bump:2.941 Ang G11.C and K37.CG other bump:2.76082 Ang V24.CG1 and V35.CG2 other bump:2.83521 Ang V24.CB and V35.CG1 other bump:2.19085 Ang V24.CG1 and V35.CG1 other bump:2.48995 Ang V24.CG2 and V35.CG1 other bump:3.13154 Ang V24.CB and V35.CB other bump:1.80082 Ang V24.CG1 and V35.CB other bump:3.00743 Ang V24.CG1 and V35.CA other bump:2.69929 Ang K28.CG and V33.O other bump:3.07789 Ang A14.CB and A21.CB other bump:2.2979 Ang A14.O and A21.N other bump:2.51423 Ang A13.O and W15.CD1 other bump:2.9294 Ang A9.CB and A13.CB other bump:2.99489 Ang V10.N and A13.CB other bump:2.60619 Ang V10.CG2 and A13.CA other bump:2.40664 Ang V10.CG2 and A13.N neighbor-bump: 2.35336 Ang A9.CB and V10.N self-bump: 2.16483 Ang A9.CB and A9.C other bump:2.37507 Ang R4.NH1 and A9.CB self-bump: 1.2743 Ang A9.CA and A9.CB neighbor-bump: 2.62254 Ang V5.C and I6.CB T0187 87 :EAGHPVPDENTIKTTRRVLELVDQ 1f6wA 153 :TGDANLPGNYGLRDQHMAIAWVKR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.92745 Ang K14.CE and R17.NH2 other bump:2.73951 Ang K14.CG and R17.NH2 neighbor-bump: 2.42696 Ang D9.CB and E10.N self-bump: 2.16788 Ang D9.CB and D9.C self-bump: 1.26018 Ang D9.CA and D9.CB neighbor-bump: 2.20484 Ang E2.O and A3.CB neighbor-bump: 2.49322 Ang E2.C and A3.CB T0187 111 :LNENDTVLFLLSGGGSS 1f6wA 183 :GDPDNITLFGESAGGAS Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.71093 Ang L11.CD2 and G19.N other bump:2.79487 Ang L11.CD1 and G16.C other bump:2.0129 Ang L11.CD1 and G16.CA other bump:3.15718 Ang L11.CG and G16.CA other bump:3.2534 Ang L12.C and G16.N other bump:1.4157 Ang L11.CD1 and G16.N other bump:3.22319 Ang L11.C and G16.N other bump:2.84525 Ang L11.CG and G16.N other bump:2.76371 Ang L11.CB and G15.C other bump:0.813241 Ang L11.CD1 and G15.C other bump:2.07828 Ang L11.CG and G15.C other bump:2.80203 Ang L11.CD2 and G15.C other bump:2.6299 Ang L11.CB and G15.O other bump:0.936245 Ang L11.CD1 and G15.O other bump:1.40614 Ang L11.CG and G15.O other bump:1.74164 Ang L11.CD2 and G15.O other bump:3.08054 Ang L11.CB and G15.CA other bump:2.25384 Ang L11.CD1 and G15.CA other bump:3.03299 Ang L11.CG and G15.CA Number of specific fragments= 4 total=906 Number of alignments=191 # Prefix for input files set to 1qmgA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1qmgA-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1qmgA read from 1qmgA-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 1 :MFDPESLKK 1qmgA 119 :PDAFKGIKQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.39264 Ang D3.N and P4.CD neighbor-bump: 2.0721 Ang D3.CA and P4.CD neighbor-bump: 2.29938 Ang D3.CB and P4.CD neighbor-bump: 1.74793 Ang D3.C and P4.CD self-bump: 1.2737 Ang P4.N and P4.CD self-bump: 2.11469 Ang P4.N and P4.CG self-bump: 2.14753 Ang P4.N and P4.CB T0187 10 :LAIEIVKKS 1qmgA 140 :QAQNLKDSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 19 :IEAVFPDRAVKETLPKLNLDRVI 1qmgA 155 :VVVKIGLRKGSNSFAEARAAGFS Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.95096 Ang N19.CG and I24.CG2 other bump:2.42829 Ang N19.OD1 and I24.CG2 other bump:2.30981 Ang N19.OD1 and V23.O other bump:2.49386 Ang F6.CD2 and V23.CG2 other bump:2.11258 Ang F6.CE2 and V23.CG2 other bump:2.64097 Ang F6.CD2 and V23.CG1 other bump:3.15383 Ang L18.CD2 and V23.CG1 other bump:2.75854 Ang F6.CD2 and V23.CB other bump:3.01992 Ang F6.CE2 and V23.CB other bump:2.99325 Ang L18.CD1 and V23.CB other bump:1.42559 Ang L18.O and D21.OD2 other bump:2.44031 Ang L18.C and D21.OD2 other bump:2.4981 Ang L18.O and D21.CG other bump:3.24706 Ang L18.C and D21.CG other bump:2.90355 Ang F6.CB and L18.CD2 other bump:2.32202 Ang F6.CD2 and L18.CD1 other bump:2.80525 Ang F6.CE2 and L18.CD1 other bump:2.69955 Ang F6.CG and L18.CD1 other bump:2.69501 Ang K12.NZ and T14.C other bump:1.75004 Ang K12.NZ and T14.OG1 other bump:1.9429 Ang K12.CE and T14.CG2 other bump:1.25679 Ang K12.NZ and T14.CG2 other bump:1.82351 Ang K12.CE and T14.CB other bump:0.392191 Ang K12.NZ and T14.CB other bump:2.7212 Ang K12.CG and T14.CB other bump:2.61505 Ang K12.CD and T14.CB other bump:1.92304 Ang K12.NZ and T14.CA other bump:2.96667 Ang K12.CG and T14.N other bump:2.61123 Ang D8.OD2 and K12.CD other bump:2.81049 Ang D8.CB and K12.CD other bump:2.96101 Ang D8.CG and K12.CD T0187 42 :LVAVGKAAWRMAKAAYEVLG 1qmgA 182 :TLGDMWETISGSDLVLLLIS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.24219 Ang W10.CZ3 and A16.C other bump:3.0693 Ang W10.CH2 and A16.C other bump:1.26637 Ang W10.CZ3 and A16.CB other bump:2.1603 Ang W10.CE3 and A16.CB other bump:2.22416 Ang W10.CH2 and A16.CB other bump:2.68781 Ang W10.CZ3 and A16.CA other bump:3.14863 Ang W10.CH2 and A16.CA T0187 74 :GHSEGPID 1qmgA 203 :SAQADNYE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.2992 Ang S4.O and I8.CG2 other bump:2.16894 Ang H3.O and P7.CD neighbor-bump: 2.12313 Ang G6.N and P7.CD neighbor-bump: 1.93204 Ang G6.CA and P7.CD neighbor-bump: 1.47288 Ang G6.C and P7.CD self-bump: 1.26029 Ang P7.N and P7.CD other bump:2.04607 Ang H3.O and P7.CG other bump:3.14872 Ang H3.C and P7.CG neighbor-bump: 2.48828 Ang G6.C and P7.CG self-bump: 2.12336 Ang P7.N and P7.CG other bump:2.48724 Ang H3.O and P7.CB T0187 84 :EIYEAG 1qmgA 211 :KVFSHM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 90 :HPVPDENTIKTT 1qmgA 220 :SILGLSHGFLLG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.50457 Ang N8.ND2 and I10.CD1 other bump:2.87224 Ang N8.OD1 and I10.CD1 other bump:2.91095 Ang N8.CG and I10.CG1 other bump:3.031 Ang N8.ND2 and I10.CG1 other bump:2.22736 Ang N8.OD1 and I10.CG1 neighbor-bump: 2.05758 Ang H2.C and P3.CD T0187 103 :RVLELVDQLN 1qmgA 232 :HLQSLGQDFP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:3.07178 Ang V3.CG1 and Q9.CA other bump:2.80254 Ang V3.CG1 and Q9.N other bump:2.34253 Ang V3.CG1 and D8.C other bump:2.10924 Ang V3.CG1 and D8.O other bump:3.2752 Ang V3.CG1 and D8.CA neighbor-bump: 2.59681 Ang L6.C and V7.CB T0187 115 :DTVLFLLSGGGSSLFELPL 1qmgA 242 :KNISVIAVCPKGMGPSVRR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 135 :GVSLEEIQKLTSALLK 1qmgA 285 :GRATDVALGWSIALGS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.61038 Ang T12.CG2 and K17.CD other bump:2.0722 Ang V3.CB and E7.OE2 other bump:1.12835 Ang V3.CG2 and E7.OE2 other bump:2.41666 Ang V3.CG1 and E7.OE2 other bump:1.04295 Ang V3.O and E7.OE1 other bump:1.78935 Ang V3.C and E7.OE1 other bump:2.91773 Ang V3.CB and E7.CD other bump:2.33827 Ang V3.CG2 and E7.CD other bump:3.26773 Ang V3.CA and E7.CD other bump:2.0037 Ang V3.O and E7.CD other bump:2.66808 Ang V3.C and E7.CD other bump:2.90731 Ang V3.CG1 and E7.CD Number of specific fragments= 10 total=916 Number of alignments=192 # Reading fragments from alignment file # T0187 read from 1qmgA-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1qmgA read from 1qmgA-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 1 :MFDPESLKKLAI 1qmgA 119 :PDAFKGIKQIGV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.39264 Ang D3.N and P4.CD neighbor-bump: 2.29938 Ang D3.CB and P4.CD neighbor-bump: 2.0721 Ang D3.CA and P4.CD neighbor-bump: 1.74793 Ang D3.C and P4.CD self-bump: 1.2737 Ang P4.N and P4.CD self-bump: 2.11469 Ang P4.N and P4.CG self-bump: 2.14753 Ang P4.N and P4.CB T0187 13 :EIVKKS 1qmgA 143 :NLKDSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 19 :IEAVFPDRAVKETLPKLNLDRVI 1qmgA 155 :VVVKIGLRKGSNSFAEARAAGFS Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.95096 Ang N19.CG and I24.CG2 other bump:2.42829 Ang N19.OD1 and I24.CG2 other bump:2.30981 Ang N19.OD1 and V23.O other bump:2.49386 Ang F6.CD2 and V23.CG2 other bump:2.11258 Ang F6.CE2 and V23.CG2 other bump:2.64097 Ang F6.CD2 and V23.CG1 other bump:3.15383 Ang L18.CD2 and V23.CG1 other bump:2.75854 Ang F6.CD2 and V23.CB other bump:3.01992 Ang F6.CE2 and V23.CB other bump:2.99325 Ang L18.CD1 and V23.CB other bump:1.42559 Ang L18.O and D21.OD2 other bump:2.44031 Ang L18.C and D21.OD2 other bump:2.4981 Ang L18.O and D21.CG other bump:3.24706 Ang L18.C and D21.CG other bump:2.90355 Ang F6.CB and L18.CD2 other bump:2.32202 Ang F6.CD2 and L18.CD1 other bump:2.80525 Ang F6.CE2 and L18.CD1 other bump:2.69955 Ang F6.CG and L18.CD1 other bump:2.69501 Ang K12.NZ and T14.C other bump:1.75004 Ang K12.NZ and T14.OG1 other bump:1.9429 Ang K12.CE and T14.CG2 other bump:1.25679 Ang K12.NZ and T14.CG2 other bump:1.82351 Ang K12.CE and T14.CB other bump:0.392191 Ang K12.NZ and T14.CB other bump:2.7212 Ang K12.CG and T14.CB other bump:2.61505 Ang K12.CD and T14.CB other bump:1.92304 Ang K12.NZ and T14.CA other bump:2.96667 Ang K12.CG and T14.N other bump:2.61123 Ang D8.OD2 and K12.CD other bump:2.81049 Ang D8.CB and K12.CD other bump:2.96101 Ang D8.CG and K12.CD T0187 42 :LVAVGKAAWRMAKAAYEVLGKKIRK 1qmgA 182 :TLGDMWETISGSDLVLLLISDSAQA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.24219 Ang W10.CZ3 and A16.C other bump:3.0693 Ang W10.CH2 and A16.C other bump:2.1603 Ang W10.CE3 and A16.CB other bump:1.26637 Ang W10.CZ3 and A16.CB other bump:2.22416 Ang W10.CH2 and A16.CB other bump:2.68781 Ang W10.CZ3 and A16.CA other bump:3.14863 Ang W10.CH2 and A16.CA T0187 67 :GVVVTKYG 1qmgA 220 :SILGLSHG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.06148 Ang Y8.CE2 and G10.CA other bump:2.21054 Ang T6.OG1 and Y8.O T0187 78 :GPID 1qmgA 228 :FLLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 84 :EIYEAGHPVPD 1qmgA 232 :HLQSLGQDFPK Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.84287 Ang V10.CG1 and P11.CD neighbor-bump: 1.87264 Ang H8.C and P9.CD neighbor-bump: 2.34663 Ang H8.CA and P9.CD other bump:3.07303 Ang I3.CG2 and P9.CA other bump:2.82258 Ang I3.CG2 and P9.N other bump:2.38359 Ang I3.CG2 and H8.C other bump:2.15416 Ang I3.CG2 and H8.O other bump:2.52998 Ang A6.CB and H8.ND1 T0187 101 :TRRVLELVDQLNEN 1qmgA 243 :NISVIAVCPKGMGP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 1.8756 Ang Q11.O and L12.CD1 other bump:2.75067 Ang E7.CG and V9.CG2 other bump:2.73126 Ang E7.CD and V9.CG2 other bump:2.41231 Ang R4.CZ and L6.CD2 other bump:1.13106 Ang R4.NH1 and L6.CD2 T0187 115 :D 1qmgA 260 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 120 :LLSGGGSSLFE 1qmgA 308 :LEQEYKSDIFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.53475 Ang S8.O and E12.CG T0187 131 :LPLEGV 1qmgA 324 :LGAVHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 137 :SLEEIQKLT 1qmgA 475 :QIEILRKKG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23945 Ang L9.O and T10.OG1 neighbor-bump: 2.36658 Ang L9.C and T10.OG1 neighbor-bump: 1.70955 Ang L9.O and T10.CB neighbor-bump: 2.15891 Ang L9.C and T10.CB other bump:2.72649 Ang E5.OE2 and L9.CD1 T0187 147 :ALLK 1qmgA 539 :QALV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 13 total=929 Number of alignments=193 # Reading fragments from alignment file # T0187 read from 1qmgA-T0187-local-adpstyle1.pw.a2m.gz # 1qmgA read from 1qmgA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 5 :ESLKKLAIEIVKKSIEAVFPDRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1qmgA 389 :SASYYPSMDILYECYEDVASGSEIRSVVLAGRRFYEKEGLPAFPMGKIDQTRMWKVGEKVRSVRPAGDLG Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 72 residues other bump:2.91802 Ang K60.CE and K63.NZ other bump:2.69439 Ang K60.NZ and K63.NZ other bump:3.02729 Ang K60.CE and K63.CE other bump:2.09652 Ang K60.NZ and K63.CE other bump:2.93356 Ang K60.CE and K63.CD other bump:2.08463 Ang K60.NZ and K63.CD neighbor-bump: 2.56874 Ang Y54.CD1 and E55.OE2 neighbor-bump: 1.72231 Ang Y54.CE1 and E55.OE2 neighbor-bump: 2.93446 Ang Y54.CE2 and E55.OE2 neighbor-bump: 2.0178 Ang Y54.CZ and E55.OE2 neighbor-bump: 3.11957 Ang Y54.CZ and E55.CD neighbor-bump: 2.07243 Ang W47.CD1 and R48.O neighbor-bump: 2.66789 Ang V42.CG1 and G43.O neighbor-bump: 2.2938 Ang L39.O and V40.CB neighbor-bump: 2.53952 Ang L39.C and V40.CB neighbor-bump: 2.91179 Ang I38.CG2 and L39.CG neighbor-bump: 3.0666 Ang V37.C and I38.CG1 other bump:2.56749 Ang L32.CA and D35.OD2 other bump:2.74366 Ang L32.C and D35.OD2 other bump:1.58395 Ang K26.O and P30.CD other bump:2.80597 Ang K26.C and P30.CD other bump:2.3067 Ang K26.O and P30.CG other bump:2.40607 Ang A18.CB and R23.NH2 neighbor-bump: 2.44468 Ang F20.N and P21.CD self-bump: 1.34743 Ang P21.N and P21.CD other bump:1.65656 Ang E17.O and P21.CD other bump:2.71161 Ang E17.C and P21.CD self-bump: 2.21372 Ang P21.N and P21.CG other bump:1.46388 Ang E17.O and P21.CG other bump:2.66062 Ang E17.C and P21.CG other bump:3.02611 Ang I16.CG2 and F20.CZ other bump:2.32413 Ang I16.CG2 and F20.CE2 T0187 75 :HSEGPIDDFEIYEAGHPVP 1qmgA 485 :SYSEIINESVIEAVDSLNP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.83165 Ang H17.CB and P18.CD other bump:1.80231 Ang Y13.O and P18.CD other bump:2.92024 Ang Y13.C and P18.CD other bump:2.73117 Ang Y13.CD1 and P18.CG other bump:2.34164 Ang Y13.CE1 and P18.CG other bump:2.73973 Ang D8.OD1 and I12.CD1 self-bump: 1.31255 Ang E11.CA and E11.CB other bump:3.26257 Ang S3.CA and P6.CD other bump:3.04413 Ang S3.C and P6.CD other bump:1.40333 Ang H2.O and P6.CD other bump:2.59436 Ang H2.C and P6.CD other bump:2.02381 Ang H2.O and P6.CG other bump:3.01628 Ang H2.C and P6.CG Number of specific fragments= 2 total=931 Number of alignments=194 # Reading fragments from alignment file # T0187 read from 1qmgA-T0187-local-adpstyle5.pw.a2m.gz # 1qmgA read from 1qmgA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 5 :ESLKKLAIEIVKKSIEAVFPDRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1qmgA 389 :SASYYPSMDILYECYEDVASGSEIRSVVLAGRRFYEKEGLPAFPMGKIDQTRMWKVGEKVRSVRPAGDLGP Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 73 residues other bump:2.91802 Ang K60.CE and K63.NZ other bump:2.69439 Ang K60.NZ and K63.NZ other bump:3.02729 Ang K60.CE and K63.CE other bump:2.09652 Ang K60.NZ and K63.CE other bump:2.93356 Ang K60.CE and K63.CD other bump:2.08463 Ang K60.NZ and K63.CD neighbor-bump: 2.56874 Ang Y54.CD1 and E55.OE2 neighbor-bump: 1.72231 Ang Y54.CE1 and E55.OE2 neighbor-bump: 2.93446 Ang Y54.CE2 and E55.OE2 neighbor-bump: 2.0178 Ang Y54.CZ and E55.OE2 neighbor-bump: 3.11957 Ang Y54.CZ and E55.CD neighbor-bump: 2.07243 Ang W47.CD1 and R48.O neighbor-bump: 2.66789 Ang V42.CG1 and G43.O neighbor-bump: 2.2938 Ang L39.O and V40.CB neighbor-bump: 2.53952 Ang L39.C and V40.CB neighbor-bump: 2.91179 Ang I38.CG2 and L39.CG neighbor-bump: 3.0666 Ang V37.C and I38.CG1 other bump:2.56749 Ang L32.CA and D35.OD2 other bump:2.74366 Ang L32.C and D35.OD2 other bump:1.58395 Ang K26.O and P30.CD other bump:2.80597 Ang K26.C and P30.CD other bump:2.3067 Ang K26.O and P30.CG other bump:2.40607 Ang A18.CB and R23.NH2 neighbor-bump: 2.44468 Ang F20.N and P21.CD self-bump: 1.34743 Ang P21.N and P21.CD other bump:1.65656 Ang E17.O and P21.CD other bump:2.71161 Ang E17.C and P21.CD self-bump: 2.21372 Ang P21.N and P21.CG other bump:1.46388 Ang E17.O and P21.CG other bump:2.66062 Ang E17.C and P21.CG other bump:3.02611 Ang I16.CG2 and F20.CZ other bump:2.32413 Ang I16.CG2 and F20.CE2 T0187 76 :SEGPIDDFEIYEAGHPVPDEN 1qmgA 486 :YSEIINESVIEAVDSLNPFMH Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.80231 Ang Y12.O and P17.CD other bump:2.92024 Ang Y12.C and P17.CD neighbor-bump: 2.83165 Ang H16.CB and P17.CD other bump:2.73117 Ang Y12.CD1 and P17.CG other bump:2.34164 Ang Y12.CE1 and P17.CG other bump:2.73973 Ang D7.OD1 and I11.CD1 self-bump: 1.31255 Ang E10.CA and E10.CB other bump:1.40333 Ang G1.O and P5.CD other bump:2.59436 Ang G1.C and P5.CD other bump:3.26257 Ang S2.CA and P5.CD other bump:3.04413 Ang S2.C and P5.CD other bump:2.02381 Ang G1.O and P5.CG other bump:3.01628 Ang G1.C and P5.CG T0187 101 :TRRVLELVDQLNEND 1qmgA 507 :ARGVSFMVDNCSTTA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.23391 Ang L12.CD2 and D16.OD2 other bump:2.40301 Ang L12.CD1 and D16.OD2 other bump:2.65237 Ang L12.CG and D16.OD2 other bump:2.35894 Ang N13.OD1 and D16.CB other bump:2.81469 Ang N13.OD1 and D16.CA other bump:2.23511 Ang N13.OD1 and D16.N other bump:2.67448 Ang V9.O and L12.CB other bump:2.4475 Ang L6.CD2 and D10.OD2 other bump:2.4285 Ang R3.CZ and E7.OE1 other bump:2.28324 Ang R3.NH2 and E7.OE1 neighbor-bump: 2.56013 Ang R3.C and R4.CB neighbor-bump: 2.09858 Ang R3.O and R4.CB T0187 116 :TVLFLLSGGGSSLFELPLEGVSLE 1qmgA 538 :QQALVAVDNGAPINQDLISNFLSD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.35812 Ang F15.O and P18.CD other bump:2.88745 Ang F15.C and P18.CD other bump:2.3959 Ang T2.O and L6.CD1 Number of specific fragments= 4 total=935 Number of alignments=195 # Reading fragments from alignment file # T0187 read from 1qmgA-T0187-vit-adpstyle1.pw.a2m.gz # 1qmgA read from 1qmgA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 5 :ESLKKLAIEIVKKSIEAVFPDRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYG 1qmgA 389 :SASYYPSMDILYECYEDVASGSEIRSVVLAGRRFYEKEGLPAFPMGKIDQTRMWKVGEKVRSVRPAGDLG Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 72 residues other bump:2.91802 Ang K60.CE and K63.NZ other bump:2.69439 Ang K60.NZ and K63.NZ other bump:3.02729 Ang K60.CE and K63.CE other bump:2.09652 Ang K60.NZ and K63.CE other bump:2.93356 Ang K60.CE and K63.CD other bump:2.08463 Ang K60.NZ and K63.CD neighbor-bump: 2.56874 Ang Y54.CD1 and E55.OE2 neighbor-bump: 1.72231 Ang Y54.CE1 and E55.OE2 neighbor-bump: 2.93446 Ang Y54.CE2 and E55.OE2 neighbor-bump: 2.0178 Ang Y54.CZ and E55.OE2 neighbor-bump: 3.11957 Ang Y54.CZ and E55.CD neighbor-bump: 2.07243 Ang W47.CD1 and R48.O neighbor-bump: 2.66789 Ang V42.CG1 and G43.O neighbor-bump: 2.2938 Ang L39.O and V40.CB neighbor-bump: 2.53952 Ang L39.C and V40.CB neighbor-bump: 2.91179 Ang I38.CG2 and L39.CG neighbor-bump: 3.0666 Ang V37.C and I38.CG1 other bump:2.56749 Ang L32.CA and D35.OD2 other bump:2.74366 Ang L32.C and D35.OD2 other bump:1.58395 Ang K26.O and P30.CD other bump:2.80597 Ang K26.C and P30.CD other bump:2.3067 Ang K26.O and P30.CG other bump:2.40607 Ang A18.CB and R23.NH2 neighbor-bump: 2.44468 Ang F20.N and P21.CD self-bump: 1.34743 Ang P21.N and P21.CD other bump:1.65656 Ang E17.O and P21.CD other bump:2.71161 Ang E17.C and P21.CD self-bump: 2.21372 Ang P21.N and P21.CG other bump:1.46388 Ang E17.O and P21.CG other bump:2.66062 Ang E17.C and P21.CG other bump:3.02611 Ang I16.CG2 and F20.CZ other bump:2.32413 Ang I16.CG2 and F20.CE2 T0187 75 :HSEGPIDDFEIYEAGHPVP 1qmgA 485 :SYSEIINESVIEAVDSLNP Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.83165 Ang H17.CB and P18.CD other bump:1.80231 Ang Y13.O and P18.CD other bump:2.92024 Ang Y13.C and P18.CD other bump:2.73117 Ang Y13.CD1 and P18.CG other bump:2.34164 Ang Y13.CE1 and P18.CG other bump:2.73973 Ang D8.OD1 and I12.CD1 self-bump: 1.31255 Ang E11.CA and E11.CB other bump:3.26257 Ang S3.CA and P6.CD other bump:3.04413 Ang S3.C and P6.CD other bump:1.40333 Ang H2.O and P6.CD other bump:2.59436 Ang H2.C and P6.CD other bump:2.02381 Ang H2.O and P6.CG other bump:3.01628 Ang H2.C and P6.CG Number of specific fragments= 2 total=937 Number of alignments=196 # Reading fragments from alignment file # T0187 read from 1qmgA-T0187-vit-adpstyle5.pw.a2m.gz # 1qmgA read from 1qmgA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 5 :ESLKKLAIEIVKKSIEAVFPDRAVKETLPKLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGH 1qmgA 389 :SASYYPSMDILYECYEDVASGSEIRSVVLAGRRFYEKEGLPAFPMGKIDQTRMWKVGEKVRSVRPAGDLGP Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 73 residues other bump:2.91802 Ang K60.CE and K63.NZ other bump:2.69439 Ang K60.NZ and K63.NZ other bump:3.02729 Ang K60.CE and K63.CE other bump:2.09652 Ang K60.NZ and K63.CE other bump:2.93356 Ang K60.CE and K63.CD other bump:2.08463 Ang K60.NZ and K63.CD neighbor-bump: 2.56874 Ang Y54.CD1 and E55.OE2 neighbor-bump: 1.72231 Ang Y54.CE1 and E55.OE2 neighbor-bump: 2.93446 Ang Y54.CE2 and E55.OE2 neighbor-bump: 2.0178 Ang Y54.CZ and E55.OE2 neighbor-bump: 3.11957 Ang Y54.CZ and E55.CD neighbor-bump: 2.07243 Ang W47.CD1 and R48.O neighbor-bump: 2.66789 Ang V42.CG1 and G43.O neighbor-bump: 2.2938 Ang L39.O and V40.CB neighbor-bump: 2.53952 Ang L39.C and V40.CB neighbor-bump: 2.91179 Ang I38.CG2 and L39.CG neighbor-bump: 3.0666 Ang V37.C and I38.CG1 other bump:2.56749 Ang L32.CA and D35.OD2 other bump:2.74366 Ang L32.C and D35.OD2 other bump:1.58395 Ang K26.O and P30.CD other bump:2.80597 Ang K26.C and P30.CD other bump:2.3067 Ang K26.O and P30.CG other bump:2.40607 Ang A18.CB and R23.NH2 neighbor-bump: 2.44468 Ang F20.N and P21.CD self-bump: 1.34743 Ang P21.N and P21.CD other bump:1.65656 Ang E17.O and P21.CD other bump:2.71161 Ang E17.C and P21.CD self-bump: 2.21372 Ang P21.N and P21.CG other bump:1.46388 Ang E17.O and P21.CG other bump:2.66062 Ang E17.C and P21.CG other bump:3.02611 Ang I16.CG2 and F20.CZ other bump:2.32413 Ang I16.CG2 and F20.CE2 T0187 76 :SEGPIDDFEIYEAGHPVPDEN 1qmgA 486 :YSEIINESVIEAVDSLNPFMH Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.80231 Ang Y12.O and P17.CD other bump:2.92024 Ang Y12.C and P17.CD neighbor-bump: 2.83165 Ang H16.CB and P17.CD other bump:2.73117 Ang Y12.CD1 and P17.CG other bump:2.34164 Ang Y12.CE1 and P17.CG other bump:2.73973 Ang D7.OD1 and I11.CD1 self-bump: 1.31255 Ang E10.CA and E10.CB other bump:1.40333 Ang G1.O and P5.CD other bump:2.59436 Ang G1.C and P5.CD other bump:3.26257 Ang S2.CA and P5.CD other bump:3.04413 Ang S2.C and P5.CD other bump:2.02381 Ang G1.O and P5.CG other bump:3.01628 Ang G1.C and P5.CG T0187 101 :TRRVLELVDQLNEND 1qmgA 507 :ARGVSFMVDNCSTTA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.23391 Ang L12.CD2 and D16.OD2 other bump:2.40301 Ang L12.CD1 and D16.OD2 other bump:2.65237 Ang L12.CG and D16.OD2 other bump:2.35894 Ang N13.OD1 and D16.CB other bump:2.81469 Ang N13.OD1 and D16.CA other bump:2.23511 Ang N13.OD1 and D16.N other bump:2.67448 Ang V9.O and L12.CB other bump:2.4475 Ang L6.CD2 and D10.OD2 other bump:2.4285 Ang R3.CZ and E7.OE1 other bump:2.28324 Ang R3.NH2 and E7.OE1 neighbor-bump: 2.56013 Ang R3.C and R4.CB neighbor-bump: 2.09858 Ang R3.O and R4.CB T0187 116 :TVLFLLSGGGSSLFELPLEGVSLE 1qmgA 538 :QQALVAVDNGAPINQDLISNFLSD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.35812 Ang F15.O and P18.CD other bump:2.88745 Ang F15.C and P18.CD other bump:2.3959 Ang T2.O and L6.CD1 Number of specific fragments= 4 total=941 Number of alignments=197 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 29 :KETLPKLN 1qmgA 83 :ATTFDFDS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.39418 Ang E3.CA and E3.CB T0187 48 :AAWRMAKAAYEVLGKK 1qmgA 524 :GSRKWAPRFDYILSQQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues self-bump: 1.38985 Ang K17.CA and K17.CB T0187 90 :HPVPDENTIKTT 1qmgA 546 :NGAPINQDLISN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.03339 Ang E7.CD and I10.CD1 self-bump: 2.18839 Ang P3.CA and P3.CD neighbor-bump: 2.11013 Ang H2.O and P3.CD neighbor-bump: 1.60274 Ang H2.C and P3.CD T0187 102 :RRVLELVDQLNENDT 1qmgA 564 :HEAIGVCAQLRPSVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 121 :LSGGGSSLFELPLEGV 1qmgA 579 :ISVTADADFVRPELRQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.76314 Ang S8.OG and F10.CZ other bump:2.68694 Ang S8.OG and F10.CE2 Number of specific fragments= 5 total=946 Number of alignments=198 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 29 :KET 1qmgA 83 :ATT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.39418 Ang E3.CA and E3.CB T0187 48 :AAWRMAKAAYEVLGKKIR 1qmgA 524 :GSRKWAPRFDYILSQQAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.19872 Ang L14.CD2 and I18.CD1 T0187 73 :YGHSEG 1qmgA 546 :NGAPIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 93 :PDENTIKTT 1qmgA 552 :QDLISNFLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 102 :RRVLELVDQLNEND 1qmgA 564 :HEAIGVCAQLRPSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 121 :LSGGGSSLFELPLEGV 1qmgA 579 :ISVTADADFVRPELRQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.76314 Ang S8.OG and F10.CZ other bump:2.68694 Ang S8.OG and F10.CE2 Number of specific fragments= 6 total=952 Number of alignments=199 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 36 :NLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVT 1qmgA 124 :GIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKI Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.71113 Ang I7.CD1 and V36.CG1 other bump:1.76044 Ang K29.CE and R31.NH2 other bump:1.91457 Ang K29.CG and R31.NH1 other bump:0.925842 Ang K29.CD and R31.NH1 other bump:0.718452 Ang K29.CE and R31.NH1 other bump:1.87655 Ang K29.NZ and R31.NH1 other bump:2.35048 Ang K29.CB and R31.NH1 other bump:2.73752 Ang K29.CG and R31.CZ other bump:2.14551 Ang K29.CD and R31.CZ other bump:0.858517 Ang K29.CE and R31.CZ other bump:2.16953 Ang K29.NZ and R31.CZ other bump:2.68221 Ang K29.CB and R31.CZ other bump:1.97654 Ang K29.CE and R31.NE other bump:2.70624 Ang K29.CB and R31.NE other bump:2.79248 Ang K29.CE and R31.CD other bump:2.48903 Ang K29.CB and R31.CD other bump:2.69511 Ang L26.CD2 and K29.NZ other bump:2.89495 Ang L8.CD1 and A19.CB other bump:3.08585 Ang L8.CD1 and A19.CA other bump:1.50097 Ang V11.CG1 and W16.NE1 other bump:2.64803 Ang V11.CB and W16.NE1 other bump:2.83615 Ang V11.CG1 and W16.CE2 other bump:1.52094 Ang V11.CG1 and W16.CD1 other bump:3.00641 Ang V11.CB and W16.CD1 other bump:2.85354 Ang V11.CG1 and W16.CG other bump:2.8025 Ang L8.CD2 and A15.CB neighbor-bump: 2.21472 Ang A10.O and V11.CG2 neighbor-bump: 2.79582 Ang A10.C and V11.CG2 neighbor-bump: 2.34482 Ang A10.CB and V11.N self-bump: 2.16184 Ang A10.CB and A10.C self-bump: 1.26948 Ang A10.CA and A10.CB Number of specific fragments= 1 total=953 Number of alignments=200 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 35 :LNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHS 1qmgA 123 :KGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKIGLRKG Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.37635 Ang T38.CG2 and Y40.OH other bump:2.06507 Ang V12.CG2 and Y40.OH other bump:2.32084 Ang T38.CG2 and Y40.CZ other bump:2.35248 Ang V12.CG2 and Y40.CZ other bump:3.05634 Ang V12.CB and Y40.CE2 other bump:2.35955 Ang V12.CG2 and Y40.CE2 other bump:3.03241 Ang T38.CB and Y40.CE1 other bump:1.82747 Ang T38.CG2 and Y40.CE1 other bump:2.71113 Ang I8.CD1 and V37.CG1 other bump:1.76044 Ang K30.CE and R32.NH2 other bump:0.718452 Ang K30.CE and R32.NH1 other bump:2.35048 Ang K30.CB and R32.NH1 other bump:1.91457 Ang K30.CG and R32.NH1 other bump:0.925842 Ang K30.CD and R32.NH1 other bump:1.87655 Ang K30.NZ and R32.NH1 other bump:0.858517 Ang K30.CE and R32.CZ other bump:2.68221 Ang K30.CB and R32.CZ other bump:2.73752 Ang K30.CG and R32.CZ other bump:2.14551 Ang K30.CD and R32.CZ other bump:2.16953 Ang K30.NZ and R32.CZ other bump:1.97654 Ang K30.CE and R32.NE other bump:2.70624 Ang K30.CB and R32.NE other bump:2.79248 Ang K30.CE and R32.CD other bump:2.48903 Ang K30.CB and R32.CD other bump:2.69511 Ang L27.CD2 and K30.NZ other bump:2.89495 Ang L9.CD1 and A20.CB other bump:3.08585 Ang L9.CD1 and A20.CA other bump:1.50097 Ang V12.CG1 and W17.NE1 other bump:2.64803 Ang V12.CB and W17.NE1 other bump:2.83615 Ang V12.CG1 and W17.CE2 other bump:1.52094 Ang V12.CG1 and W17.CD1 other bump:3.00641 Ang V12.CB and W17.CD1 other bump:2.85354 Ang V12.CG1 and W17.CG other bump:2.8025 Ang L9.CD2 and A16.CB neighbor-bump: 2.21472 Ang A11.O and V12.CG2 neighbor-bump: 2.79582 Ang A11.C and V12.CG2 neighbor-bump: 2.34482 Ang A11.CB and V12.N self-bump: 2.16184 Ang A11.CB and A11.C self-bump: 1.26948 Ang A11.CA and A11.CB Number of specific fragments= 1 total=954 Number of alignments=201 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 29 :KETLPKLN 1qmgA 83 :ATTFDFDS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.39418 Ang E3.CA and E3.CB T0187 48 :AAWRMAKAAYEVLGKKI 1qmgA 524 :GSRKWAPRFDYILSQQA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.19871 Ang L14.CD2 and I18.CD1 T0187 68 :VVVTKYGHSEG 1qmgA 541 :LVAVDNGAPIN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.82417 Ang V4.CB and H9.CE1 other bump:3.08026 Ang V4.C and H9.CE1 other bump:2.22388 Ang V4.CA and H9.CE1 other bump:2.19787 Ang V4.CB and H9.ND1 other bump:1.94708 Ang V4.CG1 and H9.ND1 other bump:2.88289 Ang V4.CG2 and H9.ND1 other bump:2.29819 Ang V4.O and H9.ND1 other bump:2.36647 Ang V4.C and H9.ND1 other bump:1.92805 Ang V4.CA and H9.ND1 other bump:2.38393 Ang V4.CG1 and H9.CG other bump:2.50936 Ang V4.CG1 and H9.CB other bump:2.20142 Ang V3.CG1 and Y7.CE1 other bump:2.10906 Ang V3.O and Y7.CD1 other bump:2.88032 Ang V2.CG2 and K6.NZ T0187 101 :TRRVLELVDQ 1qmgA 552 :QDLISNFLSD Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.70574 Ang R3.C and E7.OE2 other bump:1.96158 Ang R3.CG and E7.OE2 other bump:2.22675 Ang R3.O and E7.OE2 other bump:1.63514 Ang R3.C and E7.OE1 other bump:0.766642 Ang R3.O and E7.OE1 other bump:2.3081 Ang R4.N and E7.OE1 other bump:2.49668 Ang R4.CA and E7.OE1 other bump:2.4748 Ang R3.C and E7.CD other bump:3.01898 Ang R3.CG and E7.CD other bump:1.61017 Ang R3.O and E7.CD T0187 137 :SLEEIQKLTSALLK 1qmgA 562 :PVHEAIGVCAQLRP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues self-bump: 2.18677 Ang K15.CB and K15.C other bump:1.52486 Ang G1.O and E4.OE1 other bump:2.492 Ang G1.C and E4.OE1 Number of specific fragments= 5 total=959 Number of alignments=202 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 29 :KETLP 1qmgA 83 :ATTFD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.39418 Ang E3.CA and E3.CB T0187 47 :KAAWRMAKAAYEVLGKKIR 1qmgA 523 :LGSRKWAPRFDYILSQQAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.19872 Ang L15.CD2 and I19.CD1 T0187 74 :G 1qmgA 545 :D Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 88 :AGHPVP 1qmgA 546 :NGAPIN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 1.39413 Ang P7.CA and P7.CB T0187 94 :DENTIKTT 1qmgA 553 :DLISNFLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 102 :RRVLELVDQLNEN 1qmgA 564 :HEAIGVCAQLRPS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 121 :LSGGGSSLFELPLEG 1qmgA 579 :ISVTADADFVRPELR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.76314 Ang S8.OG and F10.CZ other bump:2.68694 Ang S8.OG and F10.CE2 Number of specific fragments= 7 total=966 Number of alignments=203 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 35 :LNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1qmgA 123 :KGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKIGLRKGSN Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:3.01396 Ang E44.CD and G46.N other bump:2.35513 Ang E44.OE1 and G46.N other bump:2.93912 Ang E44.CG and G46.N other bump:2.37635 Ang T38.CG2 and Y40.OH other bump:2.06507 Ang V12.CG2 and Y40.OH other bump:2.32084 Ang T38.CG2 and Y40.CZ other bump:2.35248 Ang V12.CG2 and Y40.CZ other bump:3.05634 Ang V12.CB and Y40.CE2 other bump:2.35955 Ang V12.CG2 and Y40.CE2 other bump:3.03241 Ang T38.CB and Y40.CE1 other bump:1.82747 Ang T38.CG2 and Y40.CE1 other bump:2.71113 Ang I8.CD1 and V37.CG1 other bump:1.76044 Ang K30.CE and R32.NH2 other bump:0.718452 Ang K30.CE and R32.NH1 other bump:2.35048 Ang K30.CB and R32.NH1 other bump:1.91457 Ang K30.CG and R32.NH1 other bump:0.925842 Ang K30.CD and R32.NH1 other bump:1.87655 Ang K30.NZ and R32.NH1 other bump:0.858517 Ang K30.CE and R32.CZ other bump:2.68221 Ang K30.CB and R32.CZ other bump:2.73752 Ang K30.CG and R32.CZ other bump:2.14551 Ang K30.CD and R32.CZ other bump:2.16953 Ang K30.NZ and R32.CZ other bump:1.97654 Ang K30.CE and R32.NE other bump:2.70624 Ang K30.CB and R32.NE other bump:2.79248 Ang K30.CE and R32.CD other bump:2.48903 Ang K30.CB and R32.CD other bump:2.69511 Ang L27.CD2 and K30.NZ other bump:2.89495 Ang L9.CD1 and A20.CB other bump:3.08585 Ang L9.CD1 and A20.CA other bump:1.50097 Ang V12.CG1 and W17.NE1 other bump:2.64803 Ang V12.CB and W17.NE1 other bump:2.83615 Ang V12.CG1 and W17.CE2 other bump:1.52094 Ang V12.CG1 and W17.CD1 other bump:3.00641 Ang V12.CB and W17.CD1 other bump:2.85354 Ang V12.CG1 and W17.CG other bump:2.8025 Ang L9.CD2 and A16.CB neighbor-bump: 2.21472 Ang A11.O and V12.CG2 neighbor-bump: 2.79582 Ang A11.C and V12.CG2 neighbor-bump: 2.34482 Ang A11.CB and V12.N self-bump: 2.16184 Ang A11.CB and A11.C self-bump: 1.26948 Ang A11.CA and A11.CB Number of specific fragments= 1 total=967 Number of alignments=204 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEG 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKIGLRKGSN Fragment has 44 clashes (null) has 44 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:3.01396 Ang E45.CD and G47.N other bump:2.35513 Ang E45.OE1 and G47.N other bump:2.93912 Ang E45.CG and G47.N other bump:2.37635 Ang T39.CG2 and Y41.OH other bump:2.06507 Ang V13.CG2 and Y41.OH other bump:2.32084 Ang T39.CG2 and Y41.CZ other bump:2.35248 Ang V13.CG2 and Y41.CZ other bump:3.05634 Ang V13.CB and Y41.CE2 other bump:2.35955 Ang V13.CG2 and Y41.CE2 other bump:3.03241 Ang T39.CB and Y41.CE1 other bump:1.82747 Ang T39.CG2 and Y41.CE1 other bump:2.71113 Ang I9.CD1 and V38.CG1 other bump:1.76044 Ang K31.CE and R33.NH2 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB Number of specific fragments= 1 total=968 Number of alignments=205 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 29 :KETLPKLN 1qmgA 83 :ATTFDFDS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.39418 Ang E3.CA and E3.CB T0187 48 :AAWRMAKAAYEVLGKK 1qmgA 524 :GSRKWAPRFDYILSQQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues self-bump: 1.38985 Ang K17.CA and K17.CB T0187 90 :HPVPDENTIKTT 1qmgA 546 :NGAPINQDLISN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.03339 Ang E7.CD and I10.CD1 self-bump: 2.18839 Ang P3.CA and P3.CD neighbor-bump: 2.11013 Ang H2.O and P3.CD neighbor-bump: 1.60274 Ang H2.C and P3.CD T0187 102 :RRVLELVDQLNEN 1qmgA 564 :HEAIGVCAQLRPS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 119 :FLLSGGGSSLFELPLEGV 1qmgA 577 :VDISVTADADFVRPELRQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.76314 Ang S10.OG and F12.CZ other bump:2.68694 Ang S10.OG and F12.CE2 Number of specific fragments= 5 total=973 Number of alignments=206 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 29 :KETLP 1qmgA 83 :ATTFD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.39418 Ang E3.CA and E3.CB T0187 48 :AAWRMAKAAYEVLGKKI 1qmgA 524 :GSRKWAPRFDYILSQQA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.19871 Ang L14.CD2 and I18.CD1 T0187 73 :YGHSE 1qmgA 546 :NGAPI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 95 :ENTIKTT 1qmgA 551 :NQDLISN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 102 :RRVLELVDQLNEND 1qmgA 564 :HEAIGVCAQLRPSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 120 :LLSGGGSSLFELPLEGV 1qmgA 578 :DISVTADADFVRPELRQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.76314 Ang S9.OG and F11.CZ other bump:2.68694 Ang S9.OG and F11.CE2 Number of specific fragments= 6 total=979 Number of alignments=207 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 33 :PKLN 1qmgA 83 :ATTF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 37 :LDRVILVAVGKAAWRMAKAAYEVL 1qmgA 125 :IKQIGVIGWGSQAPAQAQNLKDSL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.89495 Ang L7.CD1 and A18.CB other bump:3.08585 Ang L7.CD1 and A18.CA other bump:1.50097 Ang V10.CG1 and W15.NE1 other bump:2.64803 Ang V10.CB and W15.NE1 other bump:2.83615 Ang V10.CG1 and W15.CE2 other bump:1.52094 Ang V10.CG1 and W15.CD1 other bump:3.00641 Ang V10.CB and W15.CD1 other bump:2.85354 Ang V10.CG1 and W15.CG other bump:2.8025 Ang L7.CD2 and A14.CB neighbor-bump: 2.21472 Ang A9.O and V10.CG2 neighbor-bump: 2.79582 Ang A9.C and V10.CG2 neighbor-bump: 2.34482 Ang A9.CB and V10.N self-bump: 2.16184 Ang A9.CB and A9.C self-bump: 1.26948 Ang A9.CA and A9.CB T0187 61 :GKKIRKGVVVTKYGHS 1qmgA 151 :AKSDVVVKIGLRKGSN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.33014 Ang T12.CB and H16.NE2 other bump:0.860918 Ang T12.CG2 and H16.NE2 other bump:2.99721 Ang T12.CB and H16.CE1 other bump:1.61106 Ang T12.CG2 and H16.CE1 other bump:2.14435 Ang K13.O and H16.CE1 other bump:3.13875 Ang K13.C and H16.CE1 other bump:2.29713 Ang T12.CG2 and H16.ND1 other bump:1.40289 Ang K13.O and H16.ND1 other bump:2.61882 Ang K13.C and H16.ND1 other bump:2.49275 Ang T12.CB and H16.CD2 other bump:2.41218 Ang T12.OG1 and H16.CD2 other bump:1.54237 Ang T12.CG2 and H16.CD2 other bump:2.29602 Ang T12.CG2 and H16.CG T0187 77 :EGPIDDF 1qmgA 176 :FSEENGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 85 :IYE 1qmgA 183 :LGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.93685 Ang I2.N and Y3.CD1 neighbor-bump: 2.66878 Ang I2.O and Y3.CD1 neighbor-bump: 2.59766 Ang I2.C and Y3.CD1 T0187 88 :AGH 1qmgA 192 :GSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 91 :PVPDENTIKTTRRVLEL 1qmgA 199 :LISDSAQADNYEKVFSH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.38559 Ang T8.O and T12.CG2 self-bump: 2.20883 Ang P2.CA and P2.CD neighbor-bump: 2.81835 Ang G1.C and P2.CG T0187 111 :LNEND 1qmgA 216 :MKPNS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.19367 Ang N3.CB and D6.OD1 other bump:2.60245 Ang N3.CA and D6.OD1 other bump:2.81653 Ang N3.CB and D6.CG T0187 118 :LFLLSGG 1qmgA 221 :ILGLSHG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.32123 Ang F3.CE2 and L5.CD2 other bump:2.4618 Ang F3.CZ and L5.CD2 T0187 125 :GSSLFELPLE 1qmgA 234 :QSLGQDFPKN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.79112 Ang S4.O and F6.CE2 other bump:3.19718 Ang S4.CA and F6.CE2 other bump:2.20369 Ang S4.CB and F6.CE2 other bump:2.66993 Ang S4.OG and F6.CE2 other bump:2.92215 Ang S4.C and F6.CD2 other bump:3.04969 Ang S4.CA and F6.CD2 other bump:2.12455 Ang S4.CB and F6.CD2 other bump:1.83203 Ang S4.OG and F6.CD2 T0187 135 :GVSLEEIQKLTSALLK 1qmgA 252 :KGMGPSVRRLYVQGKE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.12834 Ang G2.O and V3.CG1 neighbor-bump: 2.89478 Ang G2.C and V3.CG1 Number of specific fragments= 11 total=990 Number of alignments=208 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 24 :P 1qmgA 83 :A Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 31 :TLPKLN 1qmgA 85 :TFDFDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 37 :LDRVILVAVGKAAWRMAKAAYEVL 1qmgA 125 :IKQIGVIGWGSQAPAQAQNLKDSL Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.89495 Ang L7.CD1 and A18.CB other bump:3.08585 Ang L7.CD1 and A18.CA other bump:1.50097 Ang V10.CG1 and W15.NE1 other bump:2.64803 Ang V10.CB and W15.NE1 other bump:2.83615 Ang V10.CG1 and W15.CE2 other bump:1.52094 Ang V10.CG1 and W15.CD1 other bump:3.00641 Ang V10.CB and W15.CD1 other bump:2.85354 Ang V10.CG1 and W15.CG other bump:2.8025 Ang L7.CD2 and A14.CB neighbor-bump: 2.21472 Ang A9.O and V10.CG2 neighbor-bump: 2.79582 Ang A9.C and V10.CG2 neighbor-bump: 2.34482 Ang A9.CB and V10.N self-bump: 2.16184 Ang A9.CB and A9.C self-bump: 1.26948 Ang A9.CA and A9.CB T0187 61 :GKKIRKGVVVTKYGHS 1qmgA 151 :AKSDVVVKIGLRKGSN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.33014 Ang T12.CB and H16.NE2 other bump:0.860918 Ang T12.CG2 and H16.NE2 other bump:2.99721 Ang T12.CB and H16.CE1 other bump:1.61106 Ang T12.CG2 and H16.CE1 other bump:2.14435 Ang K13.O and H16.CE1 other bump:3.13875 Ang K13.C and H16.CE1 other bump:2.29713 Ang T12.CG2 and H16.ND1 other bump:1.40289 Ang K13.O and H16.ND1 other bump:2.61882 Ang K13.C and H16.ND1 other bump:2.49275 Ang T12.CB and H16.CD2 other bump:2.41218 Ang T12.OG1 and H16.CD2 other bump:1.54237 Ang T12.CG2 and H16.CD2 other bump:2.29602 Ang T12.CG2 and H16.CG T0187 77 :EGPIDDFEIY 1qmgA 176 :FSEENGTLGD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.91518 Ang D6.CB and F8.CD2 T0187 88 :AGH 1qmgA 192 :GSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 92 :VPDENTIKTTRR 1qmgA 199 :LISDSAQADNYE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.65622 Ang G1.C and P3.CD neighbor-bump: 2.37617 Ang V2.N and P3.CD T0187 106 :ELVDQLNEND 1qmgA 211 :KVFSHMKPNS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.60245 Ang N8.CA and D11.OD1 other bump:2.16037 Ang N8.CB and D11.OD1 other bump:2.71628 Ang N8.CG and D11.OD1 other bump:2.75682 Ang N8.CB and D11.CG other bump:1.88477 Ang G1.O and D5.OD2 other bump:2.69336 Ang G1.C and D5.OD2 T0187 118 :LFLLSGG 1qmgA 221 :ILGLSHG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.32123 Ang F3.CE2 and L5.CD2 other bump:2.4618 Ang F3.CZ and L5.CD2 T0187 126 :SSLFELPLE 1qmgA 235 :SLGQDFPKN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79112 Ang S3.O and F5.CE2 other bump:3.19718 Ang S3.CA and F5.CE2 other bump:2.20369 Ang S3.CB and F5.CE2 other bump:2.66993 Ang S3.OG and F5.CE2 other bump:2.92215 Ang S3.C and F5.CD2 other bump:3.04969 Ang S3.CA and F5.CD2 other bump:2.12455 Ang S3.CB and F5.CD2 other bump:1.83203 Ang S3.OG and F5.CD2 T0187 135 :GVSLEEIQKLTSALLK 1qmgA 252 :KGMGPSVRRLYVQGKE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.12834 Ang G2.O and V3.CG1 neighbor-bump: 2.89478 Ang G2.C and V3.CG1 Number of specific fragments= 11 total=1001 Number of alignments=209 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVT 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKI Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.71113 Ang I9.CD1 and V38.CG1 other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB Number of specific fragments= 1 total=1002 Number of alignments=210 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVV 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVK Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB T0187 71 :TKYGHS 1qmgA 161 :LRKGSN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.3017 Ang T2.CB and H6.NE2 other bump:1.57663 Ang T2.OG1 and H6.NE2 other bump:2.91889 Ang T2.CB and H6.CE1 other bump:2.27187 Ang T2.OG1 and H6.CE1 other bump:2.14435 Ang K3.O and H6.CE1 other bump:3.13875 Ang K3.C and H6.CE1 other bump:1.40289 Ang K3.O and H6.ND1 other bump:2.61882 Ang K3.C and H6.ND1 other bump:2.38106 Ang T2.CB and H6.CD2 other bump:2.44719 Ang T2.OG1 and H6.CD2 other bump:3.03288 Ang T2.CB and H6.CG T0187 77 :EGPIDD 1qmgA 176 :FSEENG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 104 :VLELVDQ 1qmgA 186 :MWETISG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 114 :NDTVLFLLS 1qmgA 193 :SDLVLLLIS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06301 Ang V5.CG1 and F7.CZ other bump:2.95304 Ang V5.CG1 and F7.CE2 other bump:1.84333 Ang V5.CG1 and F7.CE1 other bump:2.59248 Ang V5.CG1 and F7.CD1 Number of specific fragments= 5 total=1007 Number of alignments=211 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVT 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVKI Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.71113 Ang I9.CD1 and V38.CG1 other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB Number of specific fragments= 1 total=1008 Number of alignments=212 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVV 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEAKSDVVVK Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.76044 Ang K31.CE and R33.NH2 other bump:1.91457 Ang K31.CG and R33.NH1 other bump:0.925842 Ang K31.CD and R33.NH1 other bump:0.718452 Ang K31.CE and R33.NH1 other bump:1.87655 Ang K31.NZ and R33.NH1 other bump:2.35048 Ang K31.CB and R33.NH1 other bump:2.73752 Ang K31.CG and R33.CZ other bump:2.14551 Ang K31.CD and R33.CZ other bump:0.858517 Ang K31.CE and R33.CZ other bump:2.16953 Ang K31.NZ and R33.CZ other bump:2.68221 Ang K31.CB and R33.CZ other bump:1.97654 Ang K31.CE and R33.NE other bump:2.70624 Ang K31.CB and R33.NE other bump:2.79248 Ang K31.CE and R33.CD other bump:2.48903 Ang K31.CB and R33.CD other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB T0187 71 :TKYGHS 1qmgA 161 :LRKGSN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.3017 Ang T2.CB and H6.NE2 other bump:1.57663 Ang T2.OG1 and H6.NE2 other bump:2.91889 Ang T2.CB and H6.CE1 other bump:2.27187 Ang T2.OG1 and H6.CE1 other bump:2.14435 Ang K3.O and H6.CE1 other bump:3.13875 Ang K3.C and H6.CE1 other bump:1.40289 Ang K3.O and H6.ND1 other bump:2.61882 Ang K3.C and H6.ND1 other bump:2.38106 Ang T2.CB and H6.CD2 other bump:2.44719 Ang T2.OG1 and H6.CD2 other bump:3.03288 Ang T2.CB and H6.CG T0187 77 :EGPIDD 1qmgA 176 :FSEENG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 104 :VLELVDQ 1qmgA 186 :MWETISG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 114 :NDTVLFLLS 1qmgA 193 :SDLVLLLIS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06301 Ang V5.CG1 and F7.CZ other bump:2.95304 Ang V5.CG1 and F7.CE2 other bump:1.84333 Ang V5.CG1 and F7.CE1 other bump:2.59248 Ang V5.CG1 and F7.CD1 Number of specific fragments= 5 total=1013 Number of alignments=213 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-local-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-local-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKK 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDE 1qmgA 152 :KSDVVVKIGLRKGSNSFAEARAAGFSEENG Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.03944 Ang H26.C and P27.CD other bump:3.07509 Ang Y22.CD1 and P27.CB other bump:3.07546 Ang Y22.CD1 and P27.CA other bump:2.86057 Ang Y22.CE1 and P27.CA other bump:2.65539 Ang Y22.CD1 and H26.O other bump:2.07238 Ang Y9.CZ and H26.NE2 other bump:1.87524 Ang Y9.OH and H26.NE2 other bump:2.11837 Ang Y9.CE2 and H26.NE2 other bump:3.23417 Ang Y9.CE1 and H26.CE1 other bump:1.85571 Ang Y9.CZ and H26.CE1 other bump:1.76659 Ang Y9.OH and H26.CE1 other bump:2.95804 Ang Y9.CD2 and H26.CE1 other bump:1.59213 Ang Y9.CE2 and H26.CE1 other bump:2.51483 Ang Y9.CZ and H26.ND1 other bump:2.32172 Ang Y9.CD2 and H26.ND1 other bump:1.40115 Ang Y9.CE2 and H26.ND1 other bump:2.81172 Ang Y9.CZ and H26.CD2 other bump:2.27487 Ang Y9.CE2 and H26.CD2 other bump:2.35009 Ang Y9.CD2 and H26.CG other bump:1.88326 Ang Y9.CE2 and H26.CG other bump:2.78301 Ang Y9.CD2 and H26.CB other bump:3.00695 Ang Y9.CE2 and H26.CB other bump:2.24344 Ang H11.ND1 and I21.CD1 other bump:1.1816 Ang H11.CE1 and I21.CD1 other bump:2.11559 Ang H11.NE2 and I21.CD1 other bump:2.66148 Ang H11.CE1 and I21.CG1 other bump:1.62838 Ang S12.O and P15.CD other bump:2.54482 Ang S12.C and P15.CD other bump:3.19355 Ang E13.CA and P15.CD other bump:2.49251 Ang E13.C and P15.CD neighbor-bump: 2.46856 Ang G14.N and P15.CD other bump:1.84643 Ang S12.O and P15.CG other bump:3.04439 Ang S12.C and P15.CG T0187 103 :RVLELVDQLNENDTVLFLLS 1qmgA 182 :TLGDMWETISGSDLVLLLIS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.06301 Ang V16.CG1 and F18.CZ other bump:2.69456 Ang L10.CD2 and F18.CZ other bump:2.95304 Ang V16.CG1 and F18.CE2 other bump:1.84333 Ang V16.CG1 and F18.CE1 other bump:2.00325 Ang L10.CD2 and F18.CE1 other bump:2.59248 Ang V16.CG1 and F18.CD1 other bump:2.84825 Ang N13.CG and V16.CG2 other bump:1.85448 Ang N13.ND2 and V16.CG2 other bump:2.5438 Ang L10.CD2 and V16.CG1 other bump:2.42599 Ang N13.ND2 and V16.CB other bump:2.11726 Ang N13.ND2 and V16.CA other bump:3.07974 Ang N13.CG and V16.N other bump:2.13048 Ang N13.ND2 and V16.N other bump:2.58963 Ang N13.CG and T15.C other bump:2.21278 Ang N13.ND2 and T15.C other bump:2.32521 Ang N13.OD1 and T15.C other bump:2.26585 Ang N13.CG and T15.O other bump:2.20728 Ang N13.ND2 and T15.O other bump:1.96923 Ang N13.OD1 and T15.O other bump:2.71493 Ang N13.OD1 and T15.CA other bump:2.97106 Ang N13.CG and T15.N other bump:1.99925 Ang N13.OD1 and T15.N neighbor-bump: 2.56432 Ang V3.O and L4.CD2 Number of specific fragments= 3 total=1016 Number of alignments=214 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-local-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-local-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 32 :LPKLN 1qmgA 112 :RNLFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.35762 Ang P3.N and P3.CD other bump:2.80421 Ang G1.C and P3.CD neighbor-bump: 2.30166 Ang L2.N and P3.CD T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKK 1qmgA 125 :IKQIGVIGWGSQAPAQAQNLKDSLTEA Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.69511 Ang L25.CD2 and K28.NZ other bump:2.89495 Ang L7.CD1 and A18.CB other bump:3.08585 Ang L7.CD1 and A18.CA other bump:1.50097 Ang V10.CG1 and W15.NE1 other bump:2.64803 Ang V10.CB and W15.NE1 other bump:2.83615 Ang V10.CG1 and W15.CE2 other bump:1.52094 Ang V10.CG1 and W15.CD1 other bump:3.00641 Ang V10.CB and W15.CD1 other bump:2.85354 Ang V10.CG1 and W15.CG other bump:2.8025 Ang L7.CD2 and A14.CB neighbor-bump: 2.21472 Ang A9.O and V10.CG2 neighbor-bump: 2.79582 Ang A9.C and V10.CG2 neighbor-bump: 2.34482 Ang A9.CB and V10.N self-bump: 2.16184 Ang A9.CB and A9.C self-bump: 1.26948 Ang A9.CA and A9.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGH 1qmgA 152 :KSDVVVKIGLRKGSNSFAEARAAGF Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.07546 Ang Y22.CD1 and G27.CA other bump:2.86057 Ang Y22.CE1 and G27.CA other bump:2.65539 Ang Y22.CD1 and H26.O other bump:1.97637 Ang Y9.CZ and H26.NE2 other bump:1.67814 Ang Y9.OH and H26.NE2 other bump:1.86837 Ang Y9.CE2 and H26.NE2 other bump:2.17456 Ang Y9.CZ and H26.CE1 other bump:2.3404 Ang Y9.OH and H26.CE1 other bump:2.78496 Ang Y9.CD2 and H26.CE1 other bump:1.6012 Ang Y9.CE2 and H26.CE1 other bump:2.77674 Ang Y9.CZ and H26.ND1 other bump:2.10929 Ang Y9.CD2 and H26.ND1 other bump:1.53091 Ang Y9.CE2 and H26.ND1 other bump:2.53165 Ang Y9.CZ and H26.CD2 other bump:1.92998 Ang Y9.CE2 and H26.CD2 other bump:2.22681 Ang Y9.CD2 and H26.CG other bump:1.76822 Ang Y9.CE2 and H26.CG other bump:2.75955 Ang Y9.CD2 and H26.CB other bump:2.97968 Ang Y9.CE2 and H26.CB other bump:2.24344 Ang H11.ND1 and I21.CD1 other bump:1.1816 Ang H11.CE1 and I21.CD1 other bump:2.11559 Ang H11.NE2 and I21.CD1 other bump:2.66148 Ang H11.CE1 and I21.CG1 other bump:1.62838 Ang S12.O and P15.CD other bump:2.54482 Ang S12.C and P15.CD neighbor-bump: 2.46856 Ang G14.N and P15.CD other bump:3.19355 Ang E13.CA and P15.CD other bump:2.49251 Ang E13.C and P15.CD other bump:1.84643 Ang S12.O and P15.CG other bump:3.04439 Ang S12.C and P15.CG T0187 93 :PDE 1qmgA 177 :SEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.94518 Ang G1.C and P2.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSG 1qmgA 180 :NGTLGDMWETISGSDLVLLLISD Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.06301 Ang V18.CG1 and F20.CZ other bump:2.69456 Ang L12.CD2 and F20.CZ other bump:2.95304 Ang V18.CG1 and F20.CE2 other bump:1.84333 Ang V18.CG1 and F20.CE1 other bump:2.00325 Ang L12.CD2 and F20.CE1 other bump:2.59248 Ang V18.CG1 and F20.CD1 other bump:2.84825 Ang N15.CG and V18.CG2 other bump:1.85448 Ang N15.ND2 and V18.CG2 other bump:2.5438 Ang L12.CD2 and V18.CG1 other bump:2.42599 Ang N15.ND2 and V18.CB other bump:2.11726 Ang N15.ND2 and V18.CA other bump:3.07974 Ang N15.CG and V18.N other bump:2.13048 Ang N15.ND2 and V18.N other bump:2.58963 Ang N15.CG and T17.C other bump:2.21278 Ang N15.ND2 and T17.C other bump:2.32521 Ang N15.OD1 and T17.C other bump:2.26585 Ang N15.CG and T17.O other bump:2.20728 Ang N15.ND2 and T17.O other bump:1.96923 Ang N15.OD1 and T17.O other bump:2.71493 Ang N15.OD1 and T17.CA other bump:2.97106 Ang N15.CG and T17.N other bump:1.99925 Ang N15.OD1 and T17.N neighbor-bump: 2.56432 Ang V5.O and L6.CD2 Number of specific fragments= 5 total=1021 Number of alignments=215 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-simpleSW-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 104 :VLELVDQLN 1qmgA 494 :VIEAVDSLN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96421 Ang L5.CD1 and N10.OD1 Number of specific fragments= 1 total=1022 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-simpleSW-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 107 :LVDQLNENDTVLFLLS 1qmgA 186 :MWETISGSDLVLLLIS Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.06301 Ang V12.CG1 and F14.CZ other bump:2.69456 Ang L6.CD2 and F14.CZ other bump:2.95304 Ang V12.CG1 and F14.CE2 other bump:1.84333 Ang V12.CG1 and F14.CE1 other bump:2.00325 Ang L6.CD2 and F14.CE1 other bump:2.59248 Ang V12.CG1 and F14.CD1 other bump:2.84825 Ang N9.CG and V12.CG2 other bump:1.85448 Ang N9.ND2 and V12.CG2 other bump:2.5438 Ang L6.CD2 and V12.CG1 other bump:2.42599 Ang N9.ND2 and V12.CB other bump:2.11726 Ang N9.ND2 and V12.CA other bump:3.07974 Ang N9.CG and V12.N other bump:2.13048 Ang N9.ND2 and V12.N other bump:2.32521 Ang N9.OD1 and T11.C other bump:2.58963 Ang N9.CG and T11.C other bump:2.21278 Ang N9.ND2 and T11.C other bump:1.96923 Ang N9.OD1 and T11.O other bump:2.26585 Ang N9.CG and T11.O other bump:2.20728 Ang N9.ND2 and T11.O other bump:2.71493 Ang N9.OD1 and T11.CA other bump:1.99925 Ang N9.OD1 and T11.N other bump:2.97106 Ang N9.CG and T11.N Number of specific fragments= 1 total=1023 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-vit-adpstyle1.pw.a2m.gz # 1qmgA read from T0187-1qmgA-vit-adpstyle1.pw.a2m.gz # found chain 1qmgA in template set T0187 34 :KLNLDRVILVAVGKAAWRMAKAAYEVLGKK 1qmgA 122 :FKGIKQIGVIGWGSQAPAQAQNLKDSLTEA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.69511 Ang L28.CD2 and K31.NZ other bump:2.72574 Ang K2.NZ and L28.CD2 other bump:2.87714 Ang K2.NZ and L28.CD1 other bump:2.89495 Ang L10.CD1 and A21.CB other bump:3.08585 Ang L10.CD1 and A21.CA other bump:1.50097 Ang V13.CG1 and W18.NE1 other bump:2.64803 Ang V13.CB and W18.NE1 other bump:2.83615 Ang V13.CG1 and W18.CE2 other bump:1.52094 Ang V13.CG1 and W18.CD1 other bump:3.00641 Ang V13.CB and W18.CD1 other bump:2.85354 Ang V13.CG1 and W18.CG other bump:2.8025 Ang L10.CD2 and A17.CB neighbor-bump: 2.21472 Ang A12.O and V13.CG2 neighbor-bump: 2.79582 Ang A12.C and V13.CG2 neighbor-bump: 2.34482 Ang A12.CB and V13.N self-bump: 2.16184 Ang A12.CB and A12.C self-bump: 1.26948 Ang A12.CA and A12.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGHPVPDE 1qmgA 152 :KSDVVVKIGLRKGSNSFAEARAAGFSEENG Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 2.03944 Ang H26.C and P27.CD other bump:3.07509 Ang Y22.CD1 and P27.CB other bump:3.07546 Ang Y22.CD1 and P27.CA other bump:2.86057 Ang Y22.CE1 and P27.CA other bump:2.65539 Ang Y22.CD1 and H26.O other bump:2.07238 Ang Y9.CZ and H26.NE2 other bump:1.87524 Ang Y9.OH and H26.NE2 other bump:2.11837 Ang Y9.CE2 and H26.NE2 other bump:3.23417 Ang Y9.CE1 and H26.CE1 other bump:1.85571 Ang Y9.CZ and H26.CE1 other bump:1.76659 Ang Y9.OH and H26.CE1 other bump:2.95804 Ang Y9.CD2 and H26.CE1 other bump:1.59213 Ang Y9.CE2 and H26.CE1 other bump:2.51483 Ang Y9.CZ and H26.ND1 other bump:2.32172 Ang Y9.CD2 and H26.ND1 other bump:1.40115 Ang Y9.CE2 and H26.ND1 other bump:2.81172 Ang Y9.CZ and H26.CD2 other bump:2.27487 Ang Y9.CE2 and H26.CD2 other bump:2.35009 Ang Y9.CD2 and H26.CG other bump:1.88326 Ang Y9.CE2 and H26.CG other bump:2.78301 Ang Y9.CD2 and H26.CB other bump:3.00695 Ang Y9.CE2 and H26.CB other bump:2.24344 Ang H11.ND1 and I21.CD1 other bump:1.1816 Ang H11.CE1 and I21.CD1 other bump:2.11559 Ang H11.NE2 and I21.CD1 other bump:2.66148 Ang H11.CE1 and I21.CG1 other bump:1.62838 Ang S12.O and P15.CD other bump:2.54482 Ang S12.C and P15.CD other bump:3.19355 Ang E13.CA and P15.CD other bump:2.49251 Ang E13.C and P15.CD neighbor-bump: 2.46856 Ang G14.N and P15.CD other bump:1.84643 Ang S12.O and P15.CG other bump:3.04439 Ang S12.C and P15.CG T0187 103 :RVLELVDQLNENDTVLFLLS 1qmgA 182 :TLGDMWETISGSDLVLLLIS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.06301 Ang V16.CG1 and F18.CZ other bump:2.69456 Ang L10.CD2 and F18.CZ other bump:2.95304 Ang V16.CG1 and F18.CE2 other bump:1.84333 Ang V16.CG1 and F18.CE1 other bump:2.00325 Ang L10.CD2 and F18.CE1 other bump:2.59248 Ang V16.CG1 and F18.CD1 other bump:2.84825 Ang N13.CG and V16.CG2 other bump:1.85448 Ang N13.ND2 and V16.CG2 other bump:2.5438 Ang L10.CD2 and V16.CG1 other bump:2.42599 Ang N13.ND2 and V16.CB other bump:2.11726 Ang N13.ND2 and V16.CA other bump:3.07974 Ang N13.CG and V16.N other bump:2.13048 Ang N13.ND2 and V16.N other bump:2.58963 Ang N13.CG and T15.C other bump:2.21278 Ang N13.ND2 and T15.C other bump:2.32521 Ang N13.OD1 and T15.C other bump:2.26585 Ang N13.CG and T15.O other bump:2.20728 Ang N13.ND2 and T15.O other bump:1.96923 Ang N13.OD1 and T15.O other bump:2.71493 Ang N13.OD1 and T15.CA other bump:2.97106 Ang N13.CG and T15.N other bump:1.99925 Ang N13.OD1 and T15.N neighbor-bump: 2.56432 Ang V3.O and L4.CD2 Number of specific fragments= 3 total=1026 Number of alignments=216 # Reading fragments from alignment file # T0187 read from T0187-1qmgA-vit-adpstyle5.pw.a2m.gz # 1qmgA read from T0187-1qmgA-vit-adpstyle5.pw.a2m.gz # found chain 1qmgA in template set T0187 32 :LPKLN 1qmgA 112 :RNLFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 1.35762 Ang P3.N and P3.CD other bump:2.80421 Ang G1.C and P3.CD neighbor-bump: 2.30166 Ang L2.N and P3.CD T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKK 1qmgA 125 :IKQIGVIGWGSQAPAQAQNLKDSLTEA Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.69511 Ang L25.CD2 and K28.NZ other bump:2.89495 Ang L7.CD1 and A18.CB other bump:3.08585 Ang L7.CD1 and A18.CA other bump:1.50097 Ang V10.CG1 and W15.NE1 other bump:2.64803 Ang V10.CB and W15.NE1 other bump:2.83615 Ang V10.CG1 and W15.CE2 other bump:1.52094 Ang V10.CG1 and W15.CD1 other bump:3.00641 Ang V10.CB and W15.CD1 other bump:2.85354 Ang V10.CG1 and W15.CG other bump:2.8025 Ang L7.CD2 and A14.CB neighbor-bump: 2.21472 Ang A9.O and V10.CG2 neighbor-bump: 2.79582 Ang A9.C and V10.CG2 neighbor-bump: 2.34482 Ang A9.CB and V10.N self-bump: 2.16184 Ang A9.CB and A9.C self-bump: 1.26948 Ang A9.CA and A9.CB T0187 66 :KGVVVTKYGHSEGPIDDFEIYEAGH 1qmgA 152 :KSDVVVKIGLRKGSNSFAEARAAGF Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.07546 Ang Y22.CD1 and G27.CA other bump:2.86057 Ang Y22.CE1 and G27.CA other bump:2.65539 Ang Y22.CD1 and H26.O other bump:1.97637 Ang Y9.CZ and H26.NE2 other bump:1.67814 Ang Y9.OH and H26.NE2 other bump:1.86837 Ang Y9.CE2 and H26.NE2 other bump:2.17456 Ang Y9.CZ and H26.CE1 other bump:2.3404 Ang Y9.OH and H26.CE1 other bump:2.78496 Ang Y9.CD2 and H26.CE1 other bump:1.6012 Ang Y9.CE2 and H26.CE1 other bump:2.77674 Ang Y9.CZ and H26.ND1 other bump:2.10929 Ang Y9.CD2 and H26.ND1 other bump:1.53091 Ang Y9.CE2 and H26.ND1 other bump:2.53165 Ang Y9.CZ and H26.CD2 other bump:1.92998 Ang Y9.CE2 and H26.CD2 other bump:2.22681 Ang Y9.CD2 and H26.CG other bump:1.76822 Ang Y9.CE2 and H26.CG other bump:2.75955 Ang Y9.CD2 and H26.CB other bump:2.97968 Ang Y9.CE2 and H26.CB other bump:2.24344 Ang H11.ND1 and I21.CD1 other bump:1.1816 Ang H11.CE1 and I21.CD1 other bump:2.11559 Ang H11.NE2 and I21.CD1 other bump:2.66148 Ang H11.CE1 and I21.CG1 other bump:1.62838 Ang S12.O and P15.CD other bump:2.54482 Ang S12.C and P15.CD neighbor-bump: 2.46856 Ang G14.N and P15.CD other bump:3.19355 Ang E13.CA and P15.CD other bump:2.49251 Ang E13.C and P15.CD other bump:1.84643 Ang S12.O and P15.CG other bump:3.04439 Ang S12.C and P15.CG T0187 93 :PDE 1qmgA 177 :SEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.94518 Ang G1.C and P2.CD T0187 101 :TRRVLELVDQLNENDTVLFLLSG 1qmgA 180 :NGTLGDMWETISGSDLVLLLISD Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.06301 Ang V18.CG1 and F20.CZ other bump:2.69456 Ang L12.CD2 and F20.CZ other bump:2.95304 Ang V18.CG1 and F20.CE2 other bump:1.84333 Ang V18.CG1 and F20.CE1 other bump:2.00325 Ang L12.CD2 and F20.CE1 other bump:2.59248 Ang V18.CG1 and F20.CD1 other bump:2.84825 Ang N15.CG and V18.CG2 other bump:1.85448 Ang N15.ND2 and V18.CG2 other bump:2.5438 Ang L12.CD2 and V18.CG1 other bump:2.42599 Ang N15.ND2 and V18.CB other bump:2.11726 Ang N15.ND2 and V18.CA other bump:3.07974 Ang N15.CG and V18.N other bump:2.13048 Ang N15.ND2 and V18.N other bump:2.58963 Ang N15.CG and T17.C other bump:2.21278 Ang N15.ND2 and T17.C other bump:2.32521 Ang N15.OD1 and T17.C other bump:2.26585 Ang N15.CG and T17.O other bump:2.20728 Ang N15.ND2 and T17.O other bump:1.96923 Ang N15.OD1 and T17.O other bump:2.71493 Ang N15.OD1 and T17.CA other bump:2.97106 Ang N15.CG and T17.N other bump:1.99925 Ang N15.OD1 and T17.N neighbor-bump: 2.56432 Ang V5.O and L6.CD2 Number of specific fragments= 5 total=1031 Number of alignments=217 # Prefix for input files set to 2pgi/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 2pgi-T0187-fssp-global-adpstyle1.pw.a2m.gz # 2pgi read from 2pgi-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 2 :FDPESLKKLAIEIVK 2pgi 13 :FMQENELDYLSEFVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 18 :SIEAVFPD 2pgi 28 :AAHHMLHE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.54509 Ang F7.N and P8.CD other bump:1.63552 Ang E4.O and P8.CD other bump:2.7958 Ang E4.C and P8.CD other bump:3.09806 Ang A5.C and P8.CD other bump:1.93442 Ang E4.O and P8.CG other bump:3.07289 Ang E4.C and P8.CG T0187 31 :TLPKL 2pgi 57 :EFSRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 36 :NLDRVILVAVG 2pgi 71 :HSDALVVIGIG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.87081 Ang L3.CD2 and V6.CG2 other bump:3.12886 Ang L3.CD2 and V6.CA other bump:2.84352 Ang L3.CD2 and V6.N other bump:3.12411 Ang L3.CG and R5.C other bump:2.67122 Ang L3.CD2 and R5.C other bump:2.40495 Ang L3.CG and R5.O other bump:2.57275 Ang L3.CD1 and R5.O other bump:2.33691 Ang L3.CD2 and R5.O T0187 47 :KAAWRMAKAA 2pgi 91 :IEALSHTFHN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 57 :YEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGH 2pgi 124 :LDVLEGKDLSINVISKSGTTTEPAIAFRIFRDYM Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.58009 Ang Y31.O and H35.CD2 other bump:2.4742 Ang Y2.CE1 and Y31.CE1 other bump:3.10964 Ang Y2.CZ and Y31.CE1 other bump:2.60599 Ang D27.O and Y31.CD2 other bump:2.92379 Ang Y2.CE1 and Y31.CD1 other bump:3.11809 Ang Y2.CZ and I30.CG2 other bump:2.08074 Ang Y2.OH and I30.CG2 other bump:2.65083 Ang H20.CA and I25.CD1 other bump:2.21769 Ang H20.O and I25.CD1 other bump:2.16634 Ang H20.C and I25.CD1 other bump:2.80515 Ang S21.N and I25.CD1 other bump:2.55037 Ang Y18.O and H20.CD2 neighbor-bump: 2.22449 Ang V15.O and T16.CG2 neighbor-bump: 2.85679 Ang V15.C and T16.CG2 other bump:2.14987 Ang L5.CD1 and R10.NH2 other bump:2.40908 Ang L5.CG and R10.NH1 other bump:1.49041 Ang L5.CD1 and R10.NH1 other bump:2.05275 Ang L5.CD1 and R10.CZ T0187 91 :PVPDENTIKTT 2pgi 175 :DRTKGALKKLA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.15733 Ang P2.CG and I9.CD1 other bump:2.41301 Ang D5.O and I9.CD1 other bump:2.29682 Ang P2.O and I9.CD1 other bump:2.77484 Ang P2.C and I9.CD1 other bump:2.83634 Ang P2.CB and I9.CD1 other bump:3.05142 Ang P2.CD and I9.CD1 self-bump: 1.39234 Ang N7.CA and N7.CB other bump:2.68937 Ang P2.CG and E6.CG neighbor-bump: 2.67825 Ang D5.C and E6.CB other bump:2.61447 Ang P2.CG and D5.O neighbor-bump: 1.73011 Ang V3.C and P4.CD neighbor-bump: 2.16949 Ang V3.CA and P4.CD neighbor-bump: 2.1808 Ang V3.CB and P4.CD neighbor-bump: 2.69283 Ang V3.CG1 and P4.CD neighbor-bump: 2.61273 Ang V3.C and P4.CG neighbor-bump: 3.08473 Ang V3.CB and P4.CG neighbor-bump: 2.83936 Ang V3.CG1 and P4.CG T0187 102 :RRVLELVDQL 2pgi 190 :YETFVIPDNI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.78794 Ang V8.CG2 and L11.CD1 other bump:1.94036 Ang V8.CG2 and L11.CG other bump:2.79315 Ang V8.CG2 and L11.CB other bump:3.05229 Ang R3.NH1 and L5.CD2 T0187 115 :DTVLFLLSGGG 2pgi 210 :GLLPIAVAGLN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues self-bump: 1.29371 Ang D2.CA and D2.CB T0187 126 :SSLFELPLEGVSLEEIQKLTSALLK 2pgi 243 :NESYQYAAVRNILYRKGKAIELLVN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.53231 Ang I17.C and Q18.CB neighbor-bump: 2.17115 Ang I17.O and Q18.CB other bump:1.74277 Ang L4.O and P8.CD other bump:2.8638 Ang L4.C and P8.CD other bump:3.29575 Ang F5.CA and P8.CD other bump:3.03087 Ang F5.C and P8.CD other bump:2.37008 Ang L4.O and P8.CG Number of specific fragments= 10 total=1041 Number of alignments=218 # Reading fragments from alignment file # T0187 read from 2pgi-T0187-fssp-global-adpstyle5.pw.a2m.gz # 2pgi read from 2pgi-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 1 :MF 2pgi 2 :AI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 3 :DPESLKKLAIEIVK 2pgi 14 :MQENELDYLSEFVK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.27623 Ang D2.OD1 and L6.CD1 T0187 18 :S 2pgi 35 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 22 :VFPDR 2pgi 48 :DWPIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 31 :TLPKL 2pgi 57 :EFSRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 36 :NLDRVILVAVGKAA 2pgi 71 :HSDALVVIGIGGSY Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:3.08662 Ang A10.CB and A14.C other bump:2.44589 Ang A10.CB and A14.O other bump:3.14375 Ang A10.CB and A14.CB other bump:2.87081 Ang L3.CD2 and V6.CG2 other bump:3.12886 Ang L3.CD2 and V6.CA other bump:2.84352 Ang L3.CD2 and V6.N other bump:3.12411 Ang L3.CG and R5.C other bump:2.67122 Ang L3.CD2 and R5.C other bump:2.40495 Ang L3.CG and R5.O other bump:2.57275 Ang L3.CD1 and R5.O other bump:2.33691 Ang L3.CD2 and R5.O T0187 50 :WRMAKAA 2pgi 94 :LSHTFHN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 57 :YEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGH 2pgi 124 :LDVLEGKDLSINVISKSGTTTEPAIAFRIFRDYM Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.58009 Ang Y31.O and H35.CD2 other bump:2.4742 Ang Y2.CE1 and Y31.CE1 other bump:3.10964 Ang Y2.CZ and Y31.CE1 other bump:2.60599 Ang D27.O and Y31.CD2 other bump:2.92379 Ang Y2.CE1 and Y31.CD1 other bump:3.11809 Ang Y2.CZ and I30.CG2 other bump:2.08074 Ang Y2.OH and I30.CG2 other bump:2.65083 Ang H20.CA and I25.CD1 other bump:2.21769 Ang H20.O and I25.CD1 other bump:2.16634 Ang H20.C and I25.CD1 other bump:2.80515 Ang S21.N and I25.CD1 other bump:2.55037 Ang Y18.O and H20.CD2 neighbor-bump: 2.22449 Ang V15.O and T16.CG2 neighbor-bump: 2.85679 Ang V15.C and T16.CG2 other bump:2.14987 Ang L5.CD1 and R10.NH2 other bump:2.40908 Ang L5.CG and R10.NH1 other bump:1.49041 Ang L5.CD1 and R10.NH1 other bump:2.05275 Ang L5.CD1 and R10.CZ T0187 91 :PVPDEN 2pgi 198 :NIGGRY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.48709 Ang V3.CG2 and N7.OD1 neighbor-bump: 2.32082 Ang D5.O and E6.OE2 neighbor-bump: 1.80451 Ang D5.O and E6.OE1 neighbor-bump: 2.71959 Ang D5.C and E6.OE1 neighbor-bump: 1.81123 Ang D5.O and E6.CD self-bump: 1.37289 Ang E6.CA and E6.CB T0187 99 :KTTR 2pgi 204 :SVLT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.9419 Ang T4.OG1 and G6.CA other bump:2.41851 Ang T4.OG1 and G6.N T0187 103 :RVLELVDQLNEN 2pgi 223 :RMMEGAASAYHK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 115 :DTVLFL 2pgi 261 :AIELLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 121 :LSGGGSSL 2pgi 369 :VDGGVPNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 129 :FEL 2pgi 378 :VEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 132 :PLEGVSLEEIQKLT 2pgi 410 :PFDQPGVEAYKKNM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues Number of specific fragments= 15 total=1056 Number of alignments=219 # Reading fragments from alignment file # T0187 read from 2pgi-T0187-local-adpstyle1.pw.a2m.gz # 2pgi read from 2pgi-T0187-local-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 91 :PVPDE 2pgi 48 :DWPIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 100 :TTRRVLELVDQLNENDTVLFLLSGGGSSL 2pgi 57 :EFSRIKQAAERIRNHSDALVVIGIGGSYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:3.05217 Ang S24.CB and S28.C other bump:2.63571 Ang S24.OG and S28.C other bump:2.41655 Ang S24.CB and S28.O other bump:1.83985 Ang S24.OG and S28.O other bump:3.13214 Ang S24.CB and S28.CB other bump:2.50056 Ang F21.CD1 and L23.CD2 other bump:1.62851 Ang F21.CE1 and L23.CD2 other bump:2.70909 Ang F21.CZ and L23.CD2 other bump:2.65128 Ang D11.CG and E15.OE2 other bump:1.53012 Ang D11.OD1 and E15.OE2 other bump:0.875708 Ang D11.O and E15.OE1 other bump:1.96884 Ang D11.C and E15.OE1 other bump:1.97448 Ang D11.O and E15.CD other bump:2.91528 Ang D11.C and E15.CD other bump:2.52901 Ang D11.OD1 and E15.CD Number of specific fragments= 2 total=1058 Number of alignments=220 # Reading fragments from alignment file # T0187 read from 2pgi-T0187-local-adpstyle5.pw.a2m.gz # 2pgi read from 2pgi-T0187-local-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 7 :LKKLAIEIVKKSIEAVFP 2pgi 94 :LSHTFHNQMNDTTQIYFA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.51915 Ang K4.NZ and V10.CG2 other bump:2.266 Ang K4.CD and V10.CG2 other bump:2.66746 Ang K4.CE and V10.CG2 other bump:2.36104 Ang K4.O and I7.CD1 other bump:2.05541 Ang K4.N and I7.CD1 other bump:2.24422 Ang K4.CA and I7.CD1 other bump:2.17872 Ang K4.CB and I7.CD1 other bump:2.64361 Ang K4.C and I7.CD1 other bump:2.22921 Ang K4.O and I7.CG1 other bump:3.10077 Ang K4.N and I7.CG1 T0187 25 :DRAVKETLPKLNLDRVILVAVGKA 2pgi 117 :STYISHLLDVLEGKDLSINVISKS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.46794 Ang N13.OD1 and L14.CD1 neighbor-bump: 2.11672 Ang N13.OD1 and L14.CG neighbor-bump: 2.52935 Ang N13.C and L14.CB other bump:2.65877 Ang E7.C and P10.CD other bump:1.69509 Ang K6.O and P10.CD other bump:2.76606 Ang K6.C and P10.CD other bump:3.03511 Ang E7.CA and P10.CD other bump:3.23591 Ang E7.C and P10.CG other bump:2.50771 Ang K6.O and P10.CG other bump:3.15532 Ang E7.CA and P10.CG T0187 49 :AWRMAKAAYEVLG 2pgi 149 :AFRIFRDYMEKKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.6659 Ang K7.CE and E11.OE2 T0187 62 :KKIRKGVVVTKYGHSE 2pgi 164 :EEARKRIYVTTDRTKG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.43096 Ang K12.CB and E17.OE2 other bump:2.21462 Ang Y13.N and E17.OE2 other bump:2.52177 Ang Y13.CD2 and E17.OE1 other bump:2.87265 Ang Y13.CD2 and E17.CD neighbor-bump: 2.81048 Ang S16.C and E17.CG neighbor-bump: 2.01394 Ang S16.O and E17.CG other bump:3.12235 Ang Y13.CD2 and E17.CB other bump:2.56887 Ang V10.CG1 and K12.CE other bump:2.98334 Ang V10.CG1 and K12.CD other bump:2.40656 Ang V10.CG1 and K12.CG Number of specific fragments= 4 total=1062 Number of alignments=221 # Reading fragments from alignment file # T0187 read from 2pgi-T0187-vit-adpstyle1.pw.a2m.gz # 2pgi read from 2pgi-T0187-vit-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 91 :PVPDE 2pgi 48 :DWPIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 100 :TTRRVLELVDQLNENDTVLFLLSGGGSSL 2pgi 57 :EFSRIKQAAERIRNHSDALVVIGIGGSYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:3.05217 Ang S24.CB and S28.C other bump:2.63571 Ang S24.OG and S28.C other bump:2.41655 Ang S24.CB and S28.O other bump:1.83985 Ang S24.OG and S28.O other bump:3.13214 Ang S24.CB and S28.CB other bump:2.50056 Ang F21.CD1 and L23.CD2 other bump:1.62851 Ang F21.CE1 and L23.CD2 other bump:2.70909 Ang F21.CZ and L23.CD2 other bump:2.65128 Ang D11.CG and E15.OE2 other bump:1.53012 Ang D11.OD1 and E15.OE2 other bump:0.875708 Ang D11.O and E15.OE1 other bump:1.96884 Ang D11.C and E15.OE1 other bump:1.97448 Ang D11.O and E15.CD other bump:2.91528 Ang D11.C and E15.CD other bump:2.52901 Ang D11.OD1 and E15.CD Number of specific fragments= 2 total=1064 Number of alignments=222 # Reading fragments from alignment file # T0187 read from 2pgi-T0187-vit-adpstyle5.pw.a2m.gz # 2pgi read from 2pgi-T0187-vit-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 7 :LKKLAIEIVKKSIEAVFP 2pgi 94 :LSHTFHNQMNDTTQIYFA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.51915 Ang K4.NZ and V10.CG2 other bump:2.266 Ang K4.CD and V10.CG2 other bump:2.66746 Ang K4.CE and V10.CG2 other bump:2.36104 Ang K4.O and I7.CD1 other bump:2.05541 Ang K4.N and I7.CD1 other bump:2.24422 Ang K4.CA and I7.CD1 other bump:2.17872 Ang K4.CB and I7.CD1 other bump:2.64361 Ang K4.C and I7.CD1 other bump:2.22921 Ang K4.O and I7.CG1 other bump:3.10077 Ang K4.N and I7.CG1 T0187 25 :DRAVKETLPKLNLDRVILVAVGKA 2pgi 117 :STYISHLLDVLEGKDLSINVISKS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.46794 Ang N13.OD1 and L14.CD1 neighbor-bump: 2.11672 Ang N13.OD1 and L14.CG neighbor-bump: 2.52935 Ang N13.C and L14.CB other bump:2.65877 Ang E7.C and P10.CD other bump:1.69509 Ang K6.O and P10.CD other bump:2.76606 Ang K6.C and P10.CD other bump:3.03511 Ang E7.CA and P10.CD other bump:3.23591 Ang E7.C and P10.CG other bump:2.50771 Ang K6.O and P10.CG other bump:3.15532 Ang E7.CA and P10.CG T0187 49 :AWRMAKAAYEVLG 2pgi 149 :AFRIFRDYMEKKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.6659 Ang K7.CE and E11.OE2 T0187 62 :KKIRKGVVVTKYGHSE 2pgi 164 :EEARKRIYVTTDRTKG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.43096 Ang K12.CB and E17.OE2 other bump:2.21462 Ang Y13.N and E17.OE2 other bump:2.52177 Ang Y13.CD2 and E17.OE1 other bump:2.87265 Ang Y13.CD2 and E17.CD neighbor-bump: 2.81048 Ang S16.C and E17.CG neighbor-bump: 2.01394 Ang S16.O and E17.CG other bump:3.12235 Ang Y13.CD2 and E17.CB other bump:2.56887 Ang V10.CG1 and K12.CE other bump:2.98334 Ang V10.CG1 and K12.CD other bump:2.40656 Ang V10.CG1 and K12.CG Number of specific fragments= 4 total=1068 Number of alignments=223 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 3 :DPESLKKLAIEIVKKS 2pgi 14 :MQENELDYLSEFVKAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.27623 Ang D2.OD1 and L6.CD1 T0187 25 :DRAVKE 2pgi 30 :HHMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 50 :WRMAKAAYEVLGKK 2pgi 395 :FEKACGISGHLLGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 91 :PVPDENTIKTTRRVLELVDQ 2pgi 409 :NPFDQPGVEAYKKNMFALLG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.16628 Ang D5.O and E6.CG neighbor-bump: 2.81912 Ang D5.C and E6.CG neighbor-bump: 1.87743 Ang V3.CA and P4.CD neighbor-bump: 2.56914 Ang V3.CB and P4.CD neighbor-bump: 1.63016 Ang V3.C and P4.CD self-bump: 1.24798 Ang P4.N and P4.CD other bump:2.56168 Ang P2.C and P4.CD neighbor-bump: 1.88606 Ang V3.N and P4.CD neighbor-bump: 3.10766 Ang V3.CA and P4.CG neighbor-bump: 3.06717 Ang V3.CB and P4.CG neighbor-bump: 2.69614 Ang V3.C and P4.CG self-bump: 2.1117 Ang P4.N and P4.CG self-bump: 1.39763 Ang P2.CA and P2.CB T0187 134 :EGVSLEEIQKLTSA 2pgi 429 :KPGFEDEKAALMKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.64239 Ang G3.C and V4.CG2 neighbor-bump: 1.86181 Ang G3.O and V4.CG2 neighbor-bump: 2.52262 Ang G3.C and V4.CB neighbor-bump: 2.02615 Ang G3.O and V4.CB Number of specific fragments= 6 total=1074 Number of alignments=224 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 6 :SLKKLAIEIVKKSIEAV 2pgi 13 :FMQENELDYLSEFVKAA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.67562 Ang V11.CG1 and I15.CD1 other bump:2.40119 Ang L6.CD2 and E9.OE2 other bump:2.14669 Ang L6.CD2 and E9.OE1 other bump:2.30223 Ang L6.CD2 and E9.CD T0187 25 :DRAVKE 2pgi 30 :HHMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 79 :PIDDFEIYEAGH 2pgi 372 :GVPNLIVELDEM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 1.15908 Ang G1.O and P2.CD neighbor-bump: 0.995925 Ang G1.C and P2.CD self-bump: 2.1831 Ang P2.CA and P2.CD neighbor-bump: 2.36642 Ang G1.C and P2.CG T0187 94 :DENT 2pgi 384 :NEYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 98 :IKTTRRVLELVDQLNENDT 2pgi 395 :FEKACGISGHLLGVNPFDQ Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.53792 Ang D19.C and T20.OG1 neighbor-bump: 1.84431 Ang D19.O and T20.OG1 other bump:3.05594 Ang L11.CD1 and E17.OE2 other bump:2.76544 Ang E10.CB and E17.OE2 other bump:1.96 Ang E10.C and E17.OE2 other bump:1.72935 Ang L11.N and E17.OE2 other bump:2.30201 Ang L11.CA and E17.OE2 other bump:2.50333 Ang E10.CB and E17.CD other bump:2.87762 Ang E10.C and E17.CD other bump:2.7529 Ang L11.N and E17.CD other bump:3.244 Ang E10.CA and E17.CD other bump:1.52891 Ang E10.CB and E17.CG other bump:2.51122 Ang E10.CG and E17.CG other bump:3.17718 Ang E10.C and E17.CG other bump:2.7877 Ang E10.CA and E17.CG other bump:2.65131 Ang E10.CB and E17.CB other bump:2.88858 Ang E10.CG and E17.CB other bump:3.18762 Ang E10.CB and E17.CA other bump:3.09949 Ang E10.CG and E17.CA other bump:2.65651 Ang D13.CG and L15.CD2 other bump:1.71207 Ang D13.OD2 and L15.CD2 other bump:2.73055 Ang D13.OD2 and L15.CG neighbor-bump: 2.51015 Ang D13.C and Q14.CB neighbor-bump: 2.0702 Ang D13.O and Q14.CB other bump:2.20817 Ang E10.O and D13.OD1 other bump:1.05988 Ang R6.O and E10.OE1 other bump:2.0699 Ang R6.C and E10.OE1 other bump:2.13219 Ang R6.O and E10.CD other bump:3.01643 Ang R6.C and E10.CD T0187 127 :SLFELP 2pgi 425 :ALLGKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 136 :VSLEEIQKLTSA 2pgi 431 :GFEDEKAALMKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.05327 Ang G1.C and V2.CG2 neighbor-bump: 0.990962 Ang G1.O and V2.CG2 neighbor-bump: 2.54905 Ang G1.C and V2.CB neighbor-bump: 2.1064 Ang G1.O and V2.CB Number of specific fragments= 8 total=1082 Number of alignments=225 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 73 :DALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L6.CG and M16.CE other bump:1.40136 Ang L6.CD1 and M16.CE other bump:3.06019 Ang L6.CG and M16.SD other bump:3.34194 Ang L6.CD2 and M16.SD other bump:1.79585 Ang L6.CD1 and M16.SD other bump:3.08662 Ang A8.CB and A12.C other bump:2.44589 Ang A8.CB and A12.O other bump:3.14375 Ang A8.CB and A12.CB T0187 76 :SEGPIDDFEIYEAGHPVP 2pgi 99 :HNQMNDTTQIYFAGQNIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74595 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGS 2pgi 117 :STYISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.70544 Ang N13.OD1 and E14.CD neighbor-bump: 2.08172 Ang N13.OD1 and E14.CG neighbor-bump: 2.69555 Ang N13.C and E14.CB other bump:2.98495 Ang R4.NH1 and L8.CD2 other bump:2.59724 Ang R4.NH1 and L8.CB Number of specific fragments= 3 total=1085 Number of alignments=226 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 72 :SDALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 76 :SEGPIDDFEIYEAGHPVPD 2pgi 99 :HNQMNDTTQIYFAGQNISS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74594 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 102 :RRVLELVDQLNENDTVLFLLSGGGS 2pgi 118 :TYISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.70544 Ang N12.OD1 and E13.CD neighbor-bump: 2.08172 Ang N12.OD1 and E13.CG neighbor-bump: 2.69555 Ang N12.C and E13.CB other bump:2.98496 Ang R3.NH1 and L7.CD2 other bump:2.59724 Ang R3.NH1 and L7.CB Number of specific fragments= 3 total=1088 Number of alignments=227 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 3 :DPESLKKLAIEIVKKSIEAVF 2pgi 10 :ALPFMQENELDYLSEFVKAAH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.67562 Ang V14.CG1 and I18.CD1 other bump:2.40119 Ang L9.CD2 and E12.OE2 other bump:2.14669 Ang L9.CD2 and E12.OE1 other bump:2.30223 Ang L9.CD2 and E12.CD self-bump: 1.33376 Ang P3.N and P3.CD other bump:2.8189 Ang G1.C and P3.CD neighbor-bump: 2.10413 Ang D2.N and P3.CD self-bump: 2.21305 Ang P3.N and P3.CG T0187 26 :RAVKE 2pgi 31 :HMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 50 :WRMAKAAYEVLGKKI 2pgi 359 :KAFQGTLLAHVDGGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.60515 Ang V11.CG1 and I16.CG2 other bump:2.99724 Ang V11.CG2 and K14.NZ T0187 66 :KGVVVTKYGHS 2pgi 374 :PNLIVELDEMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 89 :GHPVPDENTIKTTRRVLELVDQ 2pgi 407 :GVNPFDQPGVEAYKKNMFALLG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.81912 Ang D7.C and E8.CG neighbor-bump: 2.16628 Ang D7.O and E8.CG neighbor-bump: 1.63016 Ang V5.C and P6.CD self-bump: 1.24798 Ang P6.N and P6.CD other bump:2.56167 Ang P4.C and P6.CD neighbor-bump: 1.88605 Ang V5.N and P6.CD neighbor-bump: 2.56913 Ang V5.CB and P6.CD neighbor-bump: 1.87743 Ang V5.CA and P6.CD neighbor-bump: 2.69614 Ang V5.C and P6.CG self-bump: 2.11169 Ang P6.N and P6.CG neighbor-bump: 3.06717 Ang V5.CB and P6.CG neighbor-bump: 3.10766 Ang V5.CA and P6.CG self-bump: 1.39764 Ang P4.CA and P4.CB T0187 134 :EGVSLEEIQKLTSA 2pgi 429 :KPGFEDEKAALMKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.64239 Ang G3.C and V4.CG2 neighbor-bump: 1.86181 Ang G3.O and V4.CG2 neighbor-bump: 2.52262 Ang G3.C and V4.CB neighbor-bump: 2.02615 Ang G3.O and V4.CB Number of specific fragments= 7 total=1095 Number of alignments=228 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 3 :DPESLKKLAIEIVKKSIEAVF 2pgi 10 :ALPFMQENELDYLSEFVKAAH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.67562 Ang V14.CG1 and I18.CD1 other bump:2.40119 Ang L9.CD2 and E12.OE2 other bump:2.14669 Ang L9.CD2 and E12.OE1 other bump:2.30223 Ang L9.CD2 and E12.CD self-bump: 1.33376 Ang P3.N and P3.CD other bump:2.8189 Ang G1.C and P3.CD neighbor-bump: 2.10413 Ang D2.N and P3.CD self-bump: 2.21305 Ang P3.N and P3.CG T0187 26 :RAVKE 2pgi 31 :HMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 53 :AKAAYEVLGKKI 2pgi 362 :QGTLLAHVDGGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.60515 Ang V8.CG1 and I13.CG2 other bump:2.99724 Ang V8.CG2 and K11.NZ T0187 66 :KGVVVTKYGHS 2pgi 374 :PNLIVELDEMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 89 :GHPVPDENTIKTTRRVLELVDQ 2pgi 407 :GVNPFDQPGVEAYKKNMFALLG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.81912 Ang D7.C and E8.CG neighbor-bump: 2.16628 Ang D7.O and E8.CG neighbor-bump: 1.63016 Ang V5.C and P6.CD self-bump: 1.24798 Ang P6.N and P6.CD other bump:2.56167 Ang P4.C and P6.CD neighbor-bump: 1.88605 Ang V5.N and P6.CD neighbor-bump: 2.56913 Ang V5.CB and P6.CD neighbor-bump: 1.87743 Ang V5.CA and P6.CD neighbor-bump: 2.69614 Ang V5.C and P6.CG self-bump: 2.11169 Ang P6.N and P6.CG neighbor-bump: 3.06717 Ang V5.CB and P6.CG neighbor-bump: 3.10766 Ang V5.CA and P6.CG self-bump: 1.39764 Ang P4.CA and P4.CB T0187 134 :EGVSLEEIQKLTSA 2pgi 429 :KPGFEDEKAALMKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.64239 Ang G3.C and V4.CG2 neighbor-bump: 1.86181 Ang G3.O and V4.CG2 neighbor-bump: 2.52262 Ang G3.C and V4.CB neighbor-bump: 2.02615 Ang G3.O and V4.CB Number of specific fragments= 7 total=1102 Number of alignments=229 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 72 :SDALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 76 :SEGPIDDFEIYEAGHPVP 2pgi 99 :HNQMNDTTQIYFAGQNIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74595 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGS 2pgi 117 :STYISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.70544 Ang N13.OD1 and E14.CD neighbor-bump: 2.08172 Ang N13.OD1 and E14.CG neighbor-bump: 2.69555 Ang N13.C and E14.CB other bump:2.98495 Ang R4.NH1 and L8.CD2 other bump:2.59724 Ang R4.NH1 and L8.CB Number of specific fragments= 3 total=1105 Number of alignments=230 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 9 :KLAIEIVKKSIEAVF 2pgi 16 :ENELDYLSEFVKAAH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.67562 Ang V8.CG1 and I12.CD1 other bump:2.40118 Ang L3.CD2 and E6.OE2 other bump:2.14669 Ang L3.CD2 and E6.OE1 other bump:2.30222 Ang L3.CD2 and E6.CD T0187 26 :RAVKE 2pgi 31 :HMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEV 2pgi 72 :SDALVVIGIGGSYLGARAAIEAL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 61 :GKK 2pgi 95 :SHT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 75 :HSEGPIDDFEIYEAGHPVPD 2pgi 98 :FHNQMNDTTQIYFAGQNISS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.74594 Ang P18.CB and P20.CD other bump:2.8924 Ang P18.C and P20.CD neighbor-bump: 2.45551 Ang V19.N and P20.CD neighbor-bump: 2.27214 Ang H17.N and P18.CD neighbor-bump: 2.41258 Ang H17.CA and P18.CD neighbor-bump: 1.90141 Ang H17.C and P18.CD other bump:2.9642 Ang E4.OE2 and Y13.CE2 other bump:2.738 Ang E4.OE1 and Y13.CE1 other bump:1.67548 Ang P6.O and D9.OD1 other bump:2.86836 Ang P6.C and D9.OD1 other bump:2.55725 Ang S3.O and D9.CG other bump:2.80996 Ang S3.CA and P6.CD other bump:1.99955 Ang S3.O and P6.CD other bump:2.28824 Ang S3.C and P6.CD neighbor-bump: 2.56068 Ang G5.N and P6.CD other bump:1.97467 Ang H2.O and P6.CD other bump:2.90699 Ang H2.C and P6.CD other bump:2.85036 Ang S3.CA and P6.CG other bump:2.28567 Ang S3.O and P6.CG other bump:2.80616 Ang S3.C and P6.CG T0187 102 :RRVLELVDQLNENDTVLFLLSGGGS 2pgi 118 :TYISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.70544 Ang N12.OD1 and E13.CD neighbor-bump: 2.08172 Ang N12.OD1 and E13.CG neighbor-bump: 2.69555 Ang N12.C and E13.CB other bump:2.98496 Ang R3.NH1 and L7.CD2 other bump:2.59724 Ang R3.NH1 and L7.CB Number of specific fragments= 7 total=1112 Number of alignments=231 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 2 :FDPESLKKLAIEIVKKS 2pgi 13 :FMQENELDYLSEFVKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 25 :DRAVKE 2pgi 30 :HHMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 72 :SDALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 76 :SEGPIDDFEIYEAGHPVP 2pgi 99 :HNQMNDTTQIYFAGQNIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74595 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 101 :TRRVLELVDQLNENDTVLFLLSGGGSSLFEL 2pgi 117 :STYISHLLDVLEGKDLSINVISKSGTTTEPA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues neighbor-bump: 2.70544 Ang N13.OD1 and E14.CD neighbor-bump: 2.08172 Ang N13.OD1 and E14.CG neighbor-bump: 2.69555 Ang N13.C and E14.CB other bump:2.98495 Ang R4.NH1 and L8.CD2 other bump:2.59724 Ang R4.NH1 and L8.CB T0187 140 :EIQKLTSALLK 2pgi 148 :IAFRIFRDYME Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 7 total=1119 Number of alignments=232 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 3 :DPESLKKLAIEIVKKSI 2pgi 14 :MQENELDYLSEFVKAAH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.27623 Ang D2.OD1 and L6.CD1 T0187 26 :RAVKE 2pgi 31 :HMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 38 :DR 2pgi 259 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 40 :VILVAVGKAAWRMAKAAYEVLGKK 2pgi 263 :ELLVNYEPSLHYVSEWWKQLFGES Fragment has 35 clashes (null) has 35 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:1.91567 Ang E20.CD and K24.NZ other bump:0.818422 Ang E20.CG and K24.NZ other bump:2.02 Ang E20.CB and K24.NZ other bump:2.73424 Ang E20.CA and K24.NZ other bump:2.6434 Ang E20.CD and K24.CE other bump:2.64123 Ang E20.OE1 and K24.CE other bump:2.06669 Ang E20.CG and K24.CE neighbor-bump: 2.64628 Ang W12.CZ2 and R13.NH2 neighbor-bump: 2.85298 Ang W12.CZ3 and R13.NH2 neighbor-bump: 2.09669 Ang W12.CH2 and R13.NH2 neighbor-bump: 2.33911 Ang W12.CD2 and R13.NH1 neighbor-bump: 2.60497 Ang W12.CE2 and R13.NH1 neighbor-bump: 2.48453 Ang W12.CZ2 and R13.NH1 neighbor-bump: 1.56034 Ang W12.CZ3 and R13.NH1 neighbor-bump: 1.96402 Ang W12.CH2 and R13.NH1 neighbor-bump: 1.81702 Ang W12.CE3 and R13.NH1 neighbor-bump: 2.86158 Ang W12.CE2 and R13.CZ neighbor-bump: 2.04779 Ang W12.CZ2 and R13.CZ neighbor-bump: 1.534 Ang W12.CZ3 and R13.CZ neighbor-bump: 1.10216 Ang W12.CH2 and R13.CZ neighbor-bump: 2.56057 Ang W12.CE3 and R13.CZ neighbor-bump: 2.15492 Ang W12.CZ2 and R13.NE neighbor-bump: 1.35014 Ang W12.CZ3 and R13.NE neighbor-bump: 0.819066 Ang W12.CH2 and R13.NE neighbor-bump: 2.65226 Ang W12.CE3 and R13.NE neighbor-bump: 2.77122 Ang W12.CZ2 and R13.CD neighbor-bump: 1.32027 Ang W12.CZ3 and R13.CD neighbor-bump: 1.80317 Ang W12.CH2 and R13.CD neighbor-bump: 2.15236 Ang W12.CE3 and R13.CD neighbor-bump: 2.90272 Ang W12.CE2 and R13.CG neighbor-bump: 2.66265 Ang W12.CZ2 and R13.CG neighbor-bump: 2.47615 Ang W12.CZ3 and R13.CG neighbor-bump: 2.419 Ang W12.CH2 and R13.CG neighbor-bump: 2.75222 Ang W12.CE3 and R13.CG other bump:2.52553 Ang K9.O and W12.CD1 T0187 64 :IRKGVVVTKYGHS 2pgi 290 :DQKGLFPASVDFT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.06144 Ang Y11.CD2 and H13.NE2 other bump:2.54559 Ang Y11.CE2 and H13.NE2 other bump:1.83888 Ang Y11.CD2 and H13.CE1 other bump:1.52855 Ang Y11.CE2 and H13.CE1 other bump:2.85726 Ang Y11.CZ and H13.CE1 other bump:2.58565 Ang Y11.CD2 and H13.ND1 other bump:1.91963 Ang Y11.CE2 and H13.ND1 other bump:3.06143 Ang Y11.CZ and H13.ND1 T0187 79 :PIDDFEIYEAGHP 2pgi 372 :GVPNLIVELDEMN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.07939 Ang H13.C and P14.CD other bump:2.84436 Ang G12.C and P14.CD neighbor-bump: 1.15908 Ang G1.O and P2.CD neighbor-bump: 0.995925 Ang G1.C and P2.CD self-bump: 2.1831 Ang P2.CA and P2.CD neighbor-bump: 2.36642 Ang G1.C and P2.CG T0187 95 :ENT 2pgi 385 :EYT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 98 :IKTTRRVLELVDQLNENDT 2pgi 395 :FEKACGISGHLLGVNPFDQ Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.53792 Ang D19.C and T20.OG1 neighbor-bump: 1.84431 Ang D19.O and T20.OG1 other bump:3.05594 Ang L11.CD1 and E17.OE2 other bump:2.76544 Ang E10.CB and E17.OE2 other bump:1.96 Ang E10.C and E17.OE2 other bump:1.72935 Ang L11.N and E17.OE2 other bump:2.30201 Ang L11.CA and E17.OE2 other bump:2.50333 Ang E10.CB and E17.CD other bump:2.87762 Ang E10.C and E17.CD other bump:2.7529 Ang L11.N and E17.CD other bump:3.244 Ang E10.CA and E17.CD other bump:1.52891 Ang E10.CB and E17.CG other bump:2.51122 Ang E10.CG and E17.CG other bump:3.17718 Ang E10.C and E17.CG other bump:2.7877 Ang E10.CA and E17.CG other bump:2.65131 Ang E10.CB and E17.CB other bump:2.88858 Ang E10.CG and E17.CB other bump:3.18762 Ang E10.CB and E17.CA other bump:3.09949 Ang E10.CG and E17.CA other bump:2.65651 Ang D13.CG and L15.CD2 other bump:1.71207 Ang D13.OD2 and L15.CD2 other bump:2.73055 Ang D13.OD2 and L15.CG neighbor-bump: 2.51015 Ang D13.C and Q14.CB neighbor-bump: 2.0702 Ang D13.O and Q14.CB other bump:2.20817 Ang E10.O and D13.OD1 other bump:1.05988 Ang R6.O and E10.OE1 other bump:2.0699 Ang R6.C and E10.OE1 other bump:2.13219 Ang R6.O and E10.CD other bump:3.01643 Ang R6.C and E10.CD T0187 127 :SLFELPL 2pgi 425 :ALLGKPG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.62494 Ang P7.O and L8.CD1 neighbor-bump: 1.97682 Ang P7.O and L8.CG neighbor-bump: 2.7708 Ang P7.C and L8.CG neighbor-bump: 2.05251 Ang P7.O and L8.CB neighbor-bump: 2.53292 Ang P7.C and L8.CB T0187 137 :SLEEIQKLTSA 2pgi 432 :FEDEKAALMKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues Number of specific fragments= 11 total=1130 Number of alignments=233 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 3 :DPESLKKLA 2pgi 13 :FMQENELDY Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13496 Ang L6.CD2 and L9.CD1 neighbor-bump: 2.40762 Ang D2.CB and P3.CD neighbor-bump: 1.61119 Ang D2.C and P3.CD neighbor-bump: 2.35235 Ang D2.N and P3.CD neighbor-bump: 2.1171 Ang D2.CA and P3.CD neighbor-bump: 2.5041 Ang D2.C and P3.CG T0187 12 :IEIVKKS 2pgi 23 :SEFVKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 25 :DRAVKE 2pgi 30 :HHMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 37 :LDRVILVAV 2pgi 259 :GKAIELLVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 46 :GKAAWRMAKAAYEVLG 2pgi 269 :EPSLHYVSEWWKQLFG Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.85298 Ang W6.CZ3 and R7.NH2 neighbor-bump: 2.09669 Ang W6.CH2 and R7.NH2 neighbor-bump: 2.64628 Ang W6.CZ2 and R7.NH2 neighbor-bump: 1.56034 Ang W6.CZ3 and R7.NH1 neighbor-bump: 1.96402 Ang W6.CH2 and R7.NH1 neighbor-bump: 2.33911 Ang W6.CD2 and R7.NH1 neighbor-bump: 2.60497 Ang W6.CE2 and R7.NH1 neighbor-bump: 2.48453 Ang W6.CZ2 and R7.NH1 neighbor-bump: 1.81702 Ang W6.CE3 and R7.NH1 neighbor-bump: 1.534 Ang W6.CZ3 and R7.CZ neighbor-bump: 1.10216 Ang W6.CH2 and R7.CZ neighbor-bump: 2.86158 Ang W6.CE2 and R7.CZ neighbor-bump: 2.04779 Ang W6.CZ2 and R7.CZ neighbor-bump: 2.56057 Ang W6.CE3 and R7.CZ neighbor-bump: 1.35014 Ang W6.CZ3 and R7.NE neighbor-bump: 0.819066 Ang W6.CH2 and R7.NE neighbor-bump: 2.15492 Ang W6.CZ2 and R7.NE neighbor-bump: 2.65226 Ang W6.CE3 and R7.NE neighbor-bump: 1.32027 Ang W6.CZ3 and R7.CD neighbor-bump: 1.80317 Ang W6.CH2 and R7.CD neighbor-bump: 2.77122 Ang W6.CZ2 and R7.CD neighbor-bump: 2.15236 Ang W6.CE3 and R7.CD neighbor-bump: 2.47615 Ang W6.CZ3 and R7.CG neighbor-bump: 2.419 Ang W6.CH2 and R7.CG neighbor-bump: 2.90272 Ang W6.CE2 and R7.CG neighbor-bump: 2.66265 Ang W6.CZ2 and R7.CG neighbor-bump: 2.75222 Ang W6.CE3 and R7.CG other bump:2.52553 Ang K3.O and W6.CD1 T0187 62 :KKIRKGVVVTKYGHSEG 2pgi 290 :DQKGLFPASVDFTTDLH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.93273 Ang V10.C and T11.CG2 neighbor-bump: 1.90245 Ang I4.O and R5.CG neighbor-bump: 2.7489 Ang I4.C and R5.CG T0187 79 :PIDDFE 2pgi 315 :GRRNLI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.75777 Ang D5.OD1 and F6.CE1 neighbor-bump: 2.90102 Ang D5.OD1 and F6.CD1 other bump:2.81007 Ang I3.CG2 and D5.OD2 other bump:2.83448 Ang I3.CG2 and D5.CG self-bump: 1.38877 Ang P2.N and P2.CD T0187 85 :IYEAGHPVPD 2pgi 326 :VKKPQIELTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 95 :ENTIKTTRRVLELVDQLN 2pgi 357 :NKKAFQGTLLAHVDGGVP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.0998 Ang E13.OE2 and D16.OD2 other bump:2.45949 Ang E13.C and D16.OD1 other bump:1.57454 Ang E13.O and D16.OD1 other bump:3.13027 Ang E13.C and D16.CG other bump:2.54874 Ang E13.O and D16.CG other bump:2.95882 Ang E13.CA and D16.CG T0187 115 :DTVLFLLSGG 2pgi 375 :NLIVELDEMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 125 :GSSLFELPL 2pgi 407 :GVNPFDQPG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86221 Ang E7.CG and P9.CD neighbor-bump: 2.93407 Ang E7.C and L8.CD2 neighbor-bump: 1.86342 Ang E7.O and L8.CD2 neighbor-bump: 2.4124 Ang E7.O and L8.CG T0187 134 :EGV 2pgi 430 :PGF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.48764 Ang G1.O and V4.CG2 T0187 138 :LEEIQKLTSA 2pgi 433 :EDEKAALMKR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 14 total=1144 Number of alignments=234 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 4 :PESLKKLAI 2pgi 13 :FMQENELDY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.75065 Ang G1.C and P2.CD self-bump: 1.34093 Ang P2.N and P2.CD neighbor-bump: 2.8202 Ang G1.C and P2.CG self-bump: 2.20561 Ang P2.N and P2.CG T0187 13 :EIVKKS 2pgi 24 :EFVKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 25 :DRAVKE 2pgi 30 :HHMLHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 33 :PKLN 2pgi 38 :GPGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.5495 Ang K3.C and L4.CB self-bump: 2.23136 Ang P2.CA and P2.CD self-bump: 2.15935 Ang P2.CA and P2.CG self-bump: 1.25049 Ang P2.CA and P2.CB neighbor-bump: 2.3054 Ang G1.O and P2.CA neighbor-bump: 2.10394 Ang G1.C and P2.CA neighbor-bump: 1.92398 Ang G1.O and P2.N neighbor-bump: 0.97717 Ang G1.C and P2.N T0187 37 :LDRVILVAV 2pgi 259 :GKAIELLVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 46 :GKAAWRMAKAAYEVL 2pgi 269 :EPSLHYVSEWWKQLF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.85298 Ang W6.CZ3 and R7.NH2 neighbor-bump: 2.09669 Ang W6.CH2 and R7.NH2 neighbor-bump: 2.64628 Ang W6.CZ2 and R7.NH2 neighbor-bump: 1.56034 Ang W6.CZ3 and R7.NH1 neighbor-bump: 1.96402 Ang W6.CH2 and R7.NH1 neighbor-bump: 2.33911 Ang W6.CD2 and R7.NH1 neighbor-bump: 2.60497 Ang W6.CE2 and R7.NH1 neighbor-bump: 2.48453 Ang W6.CZ2 and R7.NH1 neighbor-bump: 1.81702 Ang W6.CE3 and R7.NH1 neighbor-bump: 1.534 Ang W6.CZ3 and R7.CZ neighbor-bump: 1.10216 Ang W6.CH2 and R7.CZ neighbor-bump: 2.86158 Ang W6.CE2 and R7.CZ neighbor-bump: 2.04779 Ang W6.CZ2 and R7.CZ neighbor-bump: 2.56057 Ang W6.CE3 and R7.CZ neighbor-bump: 1.35014 Ang W6.CZ3 and R7.NE neighbor-bump: 0.819066 Ang W6.CH2 and R7.NE neighbor-bump: 2.15492 Ang W6.CZ2 and R7.NE neighbor-bump: 2.65226 Ang W6.CE3 and R7.NE neighbor-bump: 1.32027 Ang W6.CZ3 and R7.CD neighbor-bump: 1.80317 Ang W6.CH2 and R7.CD neighbor-bump: 2.77122 Ang W6.CZ2 and R7.CD neighbor-bump: 2.15236 Ang W6.CE3 and R7.CD neighbor-bump: 2.47615 Ang W6.CZ3 and R7.CG neighbor-bump: 2.419 Ang W6.CH2 and R7.CG neighbor-bump: 2.90272 Ang W6.CE2 and R7.CG neighbor-bump: 2.66265 Ang W6.CZ2 and R7.CG neighbor-bump: 2.75222 Ang W6.CE3 and R7.CG other bump:2.52553 Ang K3.O and W6.CD1 T0187 62 :KKIRKGVVVTKYGHSEG 2pgi 290 :DQKGLFPASVDFTTDLH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.93273 Ang V10.C and T11.CG2 neighbor-bump: 1.90245 Ang I4.O and R5.CG neighbor-bump: 2.7489 Ang I4.C and R5.CG T0187 79 :PIDDFE 2pgi 315 :GRRNLI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.75777 Ang D5.OD1 and F6.CE1 neighbor-bump: 2.90102 Ang D5.OD1 and F6.CD1 other bump:2.81007 Ang I3.CG2 and D5.OD2 other bump:2.83448 Ang I3.CG2 and D5.CG self-bump: 1.38877 Ang P2.N and P2.CD T0187 85 :IYEAGHPVPD 2pgi 326 :VKKPQIELTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 95 :ENTIKTTRRVLELVDQLN 2pgi 357 :NKKAFQGTLLAHVDGGVP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.0998 Ang E13.OE2 and D16.OD2 other bump:2.45949 Ang E13.C and D16.OD1 other bump:1.57454 Ang E13.O and D16.OD1 other bump:3.13027 Ang E13.C and D16.CG other bump:2.54874 Ang E13.O and D16.CG other bump:2.95882 Ang E13.CA and D16.CG T0187 115 :DTVLFLLSGG 2pgi 375 :NLIVELDEMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 128 :LFELPLE 2pgi 405 :LLGVNPF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.39764 Ang P6.CA and P6.CB other bump:2.15782 Ang F3.CD1 and L5.CD2 other bump:2.95696 Ang F3.CG and L5.CD2 other bump:2.2121 Ang F3.CD1 and L5.CD1 other bump:2.30864 Ang F3.CE1 and L5.CD1 other bump:2.58876 Ang F3.CD1 and L5.CG neighbor-bump: 2.69478 Ang F3.C and E4.CB T0187 136 :VS 2pgi 412 :DQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 138 :LEEIQKLTSALL 2pgi 416 :VEAYKKNMFALL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 14 total=1158 Number of alignments=235 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 73 :DALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L6.CG and M16.CE other bump:1.40136 Ang L6.CD1 and M16.CE other bump:3.06019 Ang L6.CG and M16.SD other bump:3.34194 Ang L6.CD2 and M16.SD other bump:1.79585 Ang L6.CD1 and M16.SD other bump:3.08662 Ang A8.CB and A12.C other bump:2.44589 Ang A8.CB and A12.O other bump:3.14375 Ang A8.CB and A12.CB T0187 76 :SEGPIDDFEIYEAGHPVP 2pgi 99 :HNQMNDTTQIYFAGQNIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74595 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 101 :TRRVLELVDQLNENDTVLFLLSGGG 2pgi 117 :STYISHLLDVLEGKDLSINVISKSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.70544 Ang N13.OD1 and E14.CD neighbor-bump: 2.08172 Ang N13.OD1 and E14.CG neighbor-bump: 2.69555 Ang N13.C and E14.CB other bump:2.98495 Ang R4.NH1 and L8.CD2 other bump:2.59724 Ang R4.NH1 and L8.CB Number of specific fragments= 3 total=1161 Number of alignments=236 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGK 2pgi 72 :SDALVVIGIGGSYLGARAAIEALSHT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 75 :HSEGPIDDFEIYEAGHPVPDE 2pgi 98 :FHNQMNDTTQIYFAGQNISST Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.74594 Ang P18.CB and P20.CD other bump:2.8924 Ang P18.C and P20.CD neighbor-bump: 2.45551 Ang V19.N and P20.CD neighbor-bump: 2.27214 Ang H17.N and P18.CD neighbor-bump: 2.41258 Ang H17.CA and P18.CD neighbor-bump: 1.90141 Ang H17.C and P18.CD other bump:2.9642 Ang E4.OE2 and Y13.CE2 other bump:2.738 Ang E4.OE1 and Y13.CE1 other bump:1.67548 Ang P6.O and D9.OD1 other bump:2.86836 Ang P6.C and D9.OD1 other bump:2.55725 Ang S3.O and D9.CG other bump:2.80996 Ang S3.CA and P6.CD other bump:1.99955 Ang S3.O and P6.CD other bump:2.28824 Ang S3.C and P6.CD neighbor-bump: 2.56068 Ang G5.N and P6.CD other bump:1.97467 Ang H2.O and P6.CD other bump:2.90699 Ang H2.C and P6.CD other bump:2.85036 Ang S3.CA and P6.CG other bump:2.28567 Ang S3.O and P6.CG other bump:2.80616 Ang S3.C and P6.CG T0187 103 :RVLELVDQLNENDTVLFLLSGGGS 2pgi 119 :YISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.70544 Ang N11.OD1 and E12.CD neighbor-bump: 2.08172 Ang N11.OD1 and E12.CG neighbor-bump: 2.69555 Ang N11.C and E12.CB other bump:2.98496 Ang R2.NH1 and L6.CD2 other bump:2.59724 Ang R2.NH1 and L6.CB Number of specific fragments= 3 total=1164 Number of alignments=237 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 38 :DRVILVAVGKAAWRMAKAAYEVLGKK 2pgi 73 :DALVVIGIGGSYLGARAAIEALSHTF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L6.CG and M16.CE other bump:1.40136 Ang L6.CD1 and M16.CE other bump:3.06019 Ang L6.CG and M16.SD other bump:3.34194 Ang L6.CD2 and M16.SD other bump:1.79585 Ang L6.CD1 and M16.SD other bump:3.08662 Ang A8.CB and A12.C other bump:2.44589 Ang A8.CB and A12.O other bump:3.14375 Ang A8.CB and A12.CB T0187 76 :SEGPIDDFEIYEAGHPVP 2pgi 99 :HNQMNDTTQIYFAGQNIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.8924 Ang P17.C and P19.CD neighbor-bump: 2.45551 Ang V18.N and P19.CD other bump:2.74595 Ang P17.CB and P19.CD neighbor-bump: 2.27214 Ang H16.N and P17.CD neighbor-bump: 2.41258 Ang H16.CA and P17.CD neighbor-bump: 1.90141 Ang H16.C and P17.CD other bump:2.9642 Ang E3.OE2 and Y12.CE2 other bump:2.738 Ang E3.OE1 and Y12.CE1 other bump:1.67548 Ang P5.O and D8.OD1 other bump:2.86836 Ang P5.C and D8.OD1 other bump:2.55725 Ang S2.O and D8.CG other bump:1.99955 Ang S2.O and P5.CD other bump:2.28824 Ang S2.C and P5.CD neighbor-bump: 2.56068 Ang G4.N and P5.CD other bump:2.80996 Ang S2.CA and P5.CD other bump:1.97467 Ang G1.O and P5.CD other bump:2.90699 Ang G1.C and P5.CD other bump:2.28567 Ang S2.O and P5.CG other bump:2.80616 Ang S2.C and P5.CG other bump:2.85036 Ang S2.CA and P5.CG T0187 101 :TRRVLELVDQLNENDTVLFLLSGGG 2pgi 117 :STYISHLLDVLEGKDLSINVISKSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.70544 Ang N13.OD1 and E14.CD neighbor-bump: 2.08172 Ang N13.OD1 and E14.CG neighbor-bump: 2.69555 Ang N13.C and E14.CB other bump:2.98495 Ang R4.NH1 and L8.CD2 other bump:2.59724 Ang R4.NH1 and L8.CB Number of specific fragments= 3 total=1167 Number of alignments=238 # Reading fragments from alignment file # T0187 read from T0187-2pgi-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGK 2pgi 72 :SDALVVIGIGGSYLGARAAIEALSHT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.78197 Ang L7.CG and M17.CE other bump:1.40136 Ang L7.CD1 and M17.CE other bump:3.06019 Ang L7.CG and M17.SD other bump:3.34194 Ang L7.CD2 and M17.SD other bump:1.79585 Ang L7.CD1 and M17.SD other bump:3.08662 Ang A9.CB and A13.C other bump:2.44589 Ang A9.CB and A13.O other bump:3.14375 Ang A9.CB and A13.CB T0187 75 :HSEGPIDDFEIYEAGHPVPDE 2pgi 98 :FHNQMNDTTQIYFAGQNISST Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.74594 Ang P18.CB and P20.CD other bump:2.8924 Ang P18.C and P20.CD neighbor-bump: 2.45551 Ang V19.N and P20.CD neighbor-bump: 2.27214 Ang H17.N and P18.CD neighbor-bump: 2.41258 Ang H17.CA and P18.CD neighbor-bump: 1.90141 Ang H17.C and P18.CD other bump:2.9642 Ang E4.OE2 and Y13.CE2 other bump:2.738 Ang E4.OE1 and Y13.CE1 other bump:1.67548 Ang P6.O and D9.OD1 other bump:2.86836 Ang P6.C and D9.OD1 other bump:2.55725 Ang S3.O and D9.CG other bump:2.80996 Ang S3.CA and P6.CD other bump:1.99955 Ang S3.O and P6.CD other bump:2.28824 Ang S3.C and P6.CD neighbor-bump: 2.56068 Ang G5.N and P6.CD other bump:1.97467 Ang H2.O and P6.CD other bump:2.90699 Ang H2.C and P6.CD other bump:2.85036 Ang S3.CA and P6.CG other bump:2.28567 Ang S3.O and P6.CG other bump:2.80616 Ang S3.C and P6.CG T0187 103 :RVLELVDQLNENDTVLFLLSGGGS 2pgi 119 :YISHLLDVLEGKDLSINVISKSGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.70544 Ang N11.OD1 and E12.CD neighbor-bump: 2.08172 Ang N11.OD1 and E12.CG neighbor-bump: 2.69555 Ang N11.C and E12.CB other bump:2.98496 Ang R2.NH1 and L6.CD2 other bump:2.59724 Ang R2.NH1 and L6.CB Number of specific fragments= 3 total=1170 Number of alignments=239 # Reading fragments from alignment file # T0187 read from T0187-2pgi-local-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-local-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 103 :RVLELVDQLNENDTVLFLLSGGGSSL 2pgi 60 :RIKQAAERIRNHSDALVVIGIGGSYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.05217 Ang S21.CB and S25.C other bump:2.63571 Ang S21.OG and S25.C other bump:2.41655 Ang S21.CB and S25.O other bump:1.83985 Ang S21.OG and S25.O other bump:3.13214 Ang S21.CB and S25.CB other bump:2.50056 Ang F18.CD1 and L20.CD2 other bump:1.62851 Ang F18.CE1 and L20.CD2 other bump:2.70909 Ang F18.CZ and L20.CD2 other bump:2.65128 Ang D8.CG and E12.OE2 other bump:1.53012 Ang D8.OD1 and E12.OE2 other bump:0.875708 Ang D8.O and E12.OE1 other bump:1.96884 Ang D8.C and E12.OE1 other bump:1.97448 Ang D8.O and E12.CD other bump:2.91528 Ang D8.C and E12.CD other bump:2.52901 Ang D8.OD1 and E12.CD Number of specific fragments= 1 total=1171 Number of alignments=240 # Reading fragments from alignment file # T0187 read from T0187-2pgi-local-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-local-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 67 :G 2pgi 45 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 70 :VTKYG 2pgi 48 :DWPIR Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.27869 Ang V2.CG1 and Y5.OH other bump:1.78053 Ang V2.CB and Y5.OH other bump:1.46566 Ang V2.CG2 and Y5.OH other bump:2.717 Ang V2.CG1 and Y5.CZ other bump:1.90742 Ang V2.CB and Y5.CZ other bump:0.445938 Ang V2.CG2 and Y5.CZ other bump:3.07449 Ang V2.CA and Y5.CZ other bump:2.33271 Ang V2.CB and Y5.CE2 other bump:1.3443 Ang V2.CG2 and Y5.CE2 other bump:2.85351 Ang V2.CA and Y5.CE2 other bump:2.83939 Ang V2.CB and Y5.CE1 other bump:1.53847 Ang V2.CG2 and Y5.CE1 other bump:2.372 Ang V2.CG2 and Y5.CD2 other bump:2.48137 Ang V2.CG2 and Y5.CD1 other bump:2.82211 Ang V2.CG2 and Y5.CG T0187 79 :PIDD 2pgi 57 :EFSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 104 :VLELVDQLNENDTVLFLLSGGGSSL 2pgi 61 :IKQAAERIRNHSDALVVIGIGGSYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.05217 Ang S20.CB and S24.C other bump:2.63571 Ang S20.OG and S24.C other bump:2.41655 Ang S20.CB and S24.O other bump:1.83985 Ang S20.OG and S24.O other bump:3.13214 Ang S20.CB and S24.CB other bump:2.50056 Ang F17.CD1 and L19.CD2 other bump:1.62851 Ang F17.CE1 and L19.CD2 other bump:2.70909 Ang F17.CZ and L19.CD2 other bump:2.65128 Ang D7.CG and E11.OE2 other bump:1.53012 Ang D7.OD1 and E11.OE2 other bump:0.875708 Ang D7.O and E11.OE1 other bump:1.96884 Ang D7.C and E11.OE1 other bump:1.97448 Ang D7.O and E11.CD other bump:2.91528 Ang D7.C and E11.CD other bump:2.52901 Ang D7.OD1 and E11.CD Number of specific fragments= 4 total=1175 Number of alignments=241 # Reading fragments from alignment file # T0187 read from T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 103 :RVLELVDQLNENDTVLFLLSGGGSSL 2pgi 60 :RIKQAAERIRNHSDALVVIGIGGSYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.05217 Ang S21.CB and S25.C other bump:2.63571 Ang S21.OG and S25.C other bump:2.41655 Ang S21.CB and S25.O other bump:1.83985 Ang S21.OG and S25.O other bump:3.13214 Ang S21.CB and S25.CB other bump:2.50056 Ang F18.CD1 and L20.CD2 other bump:1.62851 Ang F18.CE1 and L20.CD2 other bump:2.70909 Ang F18.CZ and L20.CD2 other bump:2.65128 Ang D8.CG and E12.OE2 other bump:1.53012 Ang D8.OD1 and E12.OE2 other bump:0.875708 Ang D8.O and E12.OE1 other bump:1.96884 Ang D8.C and E12.OE1 other bump:1.97448 Ang D8.O and E12.CD other bump:2.91528 Ang D8.C and E12.CD other bump:2.52901 Ang D8.OD1 and E12.CD Number of specific fragments= 1 total=1176 Number of alignments=242 # Reading fragments from alignment file # T0187 read from T0187-2pgi-simpleSW-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-simpleSW-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 40 :VILVAVGK 2pgi 75 :LVVIGIGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 49 :AWRMAKAAYEVLGKKIRKGV 2pgi 83 :SYLGARAAIEALSHTFHNQM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.05648 Ang K15.CD and V21.CG2 other bump:2.72509 Ang K15.CE and V21.CG2 other bump:2.64386 Ang K15.NZ and V21.CG1 other bump:2.60155 Ang A6.O and Y10.CD1 other bump:3.45113 Ang W3.CH2 and K7.NZ other bump:3.21047 Ang W3.CZ2 and K7.CD T0187 80 :IDDFEIYEAGHPVPD 2pgi 103 :NDTTQIYFAGQNISS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.8924 Ang P13.C and P15.CD neighbor-bump: 2.45551 Ang V14.N and P15.CD other bump:2.74594 Ang P13.CB and P15.CD neighbor-bump: 2.27214 Ang H12.N and P13.CD neighbor-bump: 2.41258 Ang H12.CA and P13.CD neighbor-bump: 1.90141 Ang H12.C and P13.CD other bump:1.67548 Ang G1.O and D4.OD1 other bump:2.86836 Ang G1.C and D4.OD1 T0187 102 :RRVLELVDQLNENDTVLFLLSG 2pgi 118 :TYISHLLDVLEGKDLSINVISK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.70544 Ang N12.OD1 and E13.CD neighbor-bump: 2.08172 Ang N12.OD1 and E13.CG neighbor-bump: 2.69555 Ang N12.C and E13.CB other bump:2.98496 Ang R3.NH1 and L7.CD2 other bump:2.59724 Ang R3.NH1 and L7.CB Number of specific fragments= 4 total=1180 Number of alignments=243 # Reading fragments from alignment file # T0187 read from T0187-2pgi-vit-adpstyle1.pw.a2m.gz # 2pgi read from T0187-2pgi-vit-adpstyle1.pw.a2m.gz # found chain 2pgi in template set T0187 103 :RVLELVDQLNENDTVLFLLSGGGSSL 2pgi 60 :RIKQAAERIRNHSDALVVIGIGGSYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.05217 Ang S21.CB and S25.C other bump:2.63571 Ang S21.OG and S25.C other bump:2.41655 Ang S21.CB and S25.O other bump:1.83985 Ang S21.OG and S25.O other bump:3.13214 Ang S21.CB and S25.CB other bump:2.50056 Ang F18.CD1 and L20.CD2 other bump:1.62851 Ang F18.CE1 and L20.CD2 other bump:2.70909 Ang F18.CZ and L20.CD2 other bump:2.65128 Ang D8.CG and E12.OE2 other bump:1.53012 Ang D8.OD1 and E12.OE2 other bump:0.875708 Ang D8.O and E12.OE1 other bump:1.96884 Ang D8.C and E12.OE1 other bump:1.97448 Ang D8.O and E12.CD other bump:2.91528 Ang D8.C and E12.CD other bump:2.52901 Ang D8.OD1 and E12.CD Number of specific fragments= 1 total=1181 Number of alignments=244 # Reading fragments from alignment file # T0187 read from T0187-2pgi-vit-adpstyle5.pw.a2m.gz # 2pgi read from T0187-2pgi-vit-adpstyle5.pw.a2m.gz # found chain 2pgi in template set T0187 67 :G 2pgi 45 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 70 :VTKYG 2pgi 48 :DWPIR Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.27869 Ang V2.CG1 and Y5.OH other bump:1.78053 Ang V2.CB and Y5.OH other bump:1.46566 Ang V2.CG2 and Y5.OH other bump:2.717 Ang V2.CG1 and Y5.CZ other bump:1.90742 Ang V2.CB and Y5.CZ other bump:0.445938 Ang V2.CG2 and Y5.CZ other bump:3.07449 Ang V2.CA and Y5.CZ other bump:2.33271 Ang V2.CB and Y5.CE2 other bump:1.3443 Ang V2.CG2 and Y5.CE2 other bump:2.85351 Ang V2.CA and Y5.CE2 other bump:2.83939 Ang V2.CB and Y5.CE1 other bump:1.53847 Ang V2.CG2 and Y5.CE1 other bump:2.372 Ang V2.CG2 and Y5.CD2 other bump:2.48137 Ang V2.CG2 and Y5.CD1 other bump:2.82211 Ang V2.CG2 and Y5.CG T0187 79 :PIDD 2pgi 57 :EFSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 104 :VLELVDQLNENDTVLFLLSGGGSSL 2pgi 61 :IKQAAERIRNHSDALVVIGIGGSYL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.05217 Ang S20.CB and S24.C other bump:2.63571 Ang S20.OG and S24.C other bump:2.41655 Ang S20.CB and S24.O other bump:1.83985 Ang S20.OG and S24.O other bump:3.13214 Ang S20.CB and S24.CB other bump:2.50056 Ang F17.CD1 and L19.CD2 other bump:1.62851 Ang F17.CE1 and L19.CD2 other bump:2.70909 Ang F17.CZ and L19.CD2 other bump:2.65128 Ang D7.CG and E11.OE2 other bump:1.53012 Ang D7.OD1 and E11.OE2 other bump:0.875708 Ang D7.O and E11.OE1 other bump:1.96884 Ang D7.C and E11.OE1 other bump:1.97448 Ang D7.O and E11.CD other bump:2.91528 Ang D7.C and E11.CD other bump:2.52901 Ang D7.OD1 and E11.CD Number of specific fragments= 4 total=1185 Number of alignments=245 # Prefix for input files set to 1aqlA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from T0187-1aqlA-local-adpstyle1.pw.a2m.gz # 1aqlA read from T0187-1aqlA-local-adpstyle1.pw.a2m.gz # adding 1aqlA to template set 1aqlA:# found chain 1aqlA in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDF 1aqlA 105 :YGGAFLMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFL Fragment has 119 clashes (null) has 119 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.87006 Ang I6.CG2 and D47.OD1 other bump:2.00326 Ang S41.O and D46.OD2 other bump:1.55475 Ang S41.C and D46.OD2 other bump:0.931177 Ang E42.N and D46.OD2 other bump:1.01138 Ang E42.CA and D46.OD2 other bump:1.95601 Ang E42.C and D46.OD2 other bump:2.54931 Ang E42.CB and D46.OD2 other bump:2.25881 Ang S41.OG and D46.OD1 other bump:1.56111 Ang S41.CA and D46.OD1 other bump:1.60129 Ang S41.CB and D46.OD1 other bump:2.15388 Ang S41.O and D46.OD1 other bump:1.40372 Ang S41.C and D46.OD1 other bump:2.05218 Ang E42.N and D46.OD1 other bump:2.40162 Ang S41.CA and D46.CG other bump:2.80178 Ang S41.CB and D46.CG other bump:1.5896 Ang S41.O and D46.CG other bump:1.2608 Ang S41.C and D46.CG other bump:1.62964 Ang E42.N and D46.CG other bump:2.24337 Ang E42.CA and D46.CG other bump:2.74214 Ang E42.C and D46.CG other bump:2.08963 Ang S41.O and D46.CB other bump:2.57077 Ang S41.C and D46.CB other bump:3.06663 Ang E42.N and D46.CB other bump:3.15084 Ang E42.CA and D46.CB other bump:1.78954 Ang L7.O and E42.OE2 other bump:2.53356 Ang L7.C and E42.OE2 other bump:2.77897 Ang V8.CA and E42.OE2 other bump:1.65278 Ang V8.C and E42.OE1 other bump:2.57063 Ang L7.C and E42.OE1 other bump:1.86284 Ang V8.N and E42.OE1 other bump:1.47996 Ang V8.CA and E42.OE1 other bump:2.14094 Ang V8.O and E42.OE1 other bump:2.89204 Ang V8.C and E42.CD other bump:3.29412 Ang L7.CA and E42.CD other bump:2.04422 Ang L7.O and E42.CD other bump:2.11383 Ang L7.C and E42.CD other bump:2.1369 Ang V8.N and E42.CD other bump:2.26551 Ang V8.CA and E42.CD other bump:2.79811 Ang L7.CA and E42.CG other bump:2.35329 Ang L7.C and E42.CG other bump:2.69885 Ang V8.N and E42.CG other bump:2.09598 Ang G11.O and K37.NZ other bump:2.85447 Ang G11.C and K37.NZ other bump:2.34091 Ang K12.CA and K37.NZ other bump:2.35771 Ang K12.C and K37.NZ other bump:1.31401 Ang G11.O and K37.CE other bump:2.52278 Ang G11.C and K37.CE other bump:2.98635 Ang G11.CA and K37.CD other bump:1.19144 Ang G11.O and K37.CD other bump:2.04683 Ang G11.C and K37.CD other bump:2.96404 Ang K12.N and K37.CD other bump:3.19773 Ang G11.CA and K37.CG other bump:2.23851 Ang G11.O and K37.CG other bump:2.95318 Ang G11.C and K37.CG other bump:3.09335 Ang V24.CG1 and V35.C other bump:2.31406 Ang V24.CG1 and V35.CG2 other bump:2.35582 Ang K28.CG and V35.CG2 other bump:3.2324 Ang K28.CD and V35.CG2 other bump:2.18357 Ang V24.CG2 and V35.CG1 other bump:1.36325 Ang V24.CG1 and V35.CG1 other bump:2.14123 Ang V24.CB and V35.CG1 other bump:1.32888 Ang V24.CG1 and V35.CB other bump:2.80949 Ang V24.CB and V35.CB other bump:2.68999 Ang V24.CG1 and V35.CA other bump:2.97607 Ang K28.CG and V35.N other bump:2.48754 Ang K28.CD and V35.N other bump:2.77097 Ang K28.CB and V33.O other bump:2.89342 Ang V24.CG1 and K28.NZ other bump:2.09103 Ang V24.O and K28.NZ other bump:3.06396 Ang W15.CE3 and M17.N neighbor-bump: 2.43964 Ang A13.CB and A14.N self-bump: 2.1752 Ang A13.CB and A13.C self-bump: 1.25336 Ang A13.CA and A13.CB other bump:2.97675 Ang R4.NE and V10.N other bump:2.55643 Ang R4.CZ and V10.N other bump:2.76256 Ang R4.NH2 and V10.N neighbor-bump: 2.31889 Ang A9.CB and V10.N other bump:1.62069 Ang R4.NH1 and A9.C other bump:2.2714 Ang R4.NE and A9.C other bump:1.39876 Ang R4.CZ and A9.C other bump:1.82567 Ang R4.NH2 and A9.C self-bump: 2.2004 Ang A9.CB and A9.C other bump:1.59379 Ang R4.NH1 and A9.O other bump:1.90308 Ang R4.CZ and A9.O other bump:1.8736 Ang R4.NH2 and A9.O other bump:1.69764 Ang R4.CD and A9.CB other bump:1.21129 Ang R4.NE and A9.CB other bump:2.01638 Ang R4.CZ and A9.CB other bump:2.76688 Ang R4.NH2 and A9.CB self-bump: 1.35565 Ang A9.CA and A9.CB other bump:2.81594 Ang R4.CG and A9.CB other bump:1.63342 Ang R4.NH1 and A9.CA other bump:1.86666 Ang R4.CD and A9.CA other bump:0.888603 Ang R4.NE and A9.CA other bump:0.837309 Ang R4.CZ and A9.CA other bump:2.03839 Ang R4.NH2 and A9.CA other bump:3.17772 Ang R4.CG and A9.CA other bump:1.56156 Ang R4.NH1 and A9.N other bump:1.98608 Ang R4.CD and A9.N other bump:1.74302 Ang R4.NE and A9.N other bump:1.65148 Ang R4.CZ and A9.N other bump:3.15855 Ang R4.CG and A9.N other bump:2.51041 Ang R4.NH1 and V8.C other bump:2.49733 Ang R4.CD and V8.C other bump:2.26638 Ang R4.NE and V8.C other bump:2.33596 Ang R4.CZ and V8.C other bump:2.56916 Ang R4.CB and V8.C other bump:3.05326 Ang R4.CG and V8.C other bump:2.47023 Ang R4.CZ and V8.O other bump:2.26282 Ang R4.CB and V8.O other bump:2.51256 Ang R4.CD and V8.CG1 other bump:2.98014 Ang R4.CB and V8.CG1 other bump:2.76623 Ang R4.CG and V8.CG1 other bump:3.19529 Ang R4.CD and V8.CB other bump:2.45155 Ang R4.CB and V8.CB other bump:3.1838 Ang R4.CB and V8.CA other bump:3.03203 Ang V5.CB and L7.CD2 other bump:2.80254 Ang V5.CG1 and L7.CD2 neighbor-bump: 2.52407 Ang D3.O and R4.CG T0187 86 :YEAGHPVPDENTIKTTRRVLELVDQ 1aqlA 152 :STGDSNLPGNYGLWDQHMAIAWVKR Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.72207 Ang K15.CG and R18.NH2 neighbor-bump: 2.40196 Ang D10.CB and E11.N self-bump: 2.16037 Ang D10.CB and D10.C other bump:1.53781 Ang G1.O and D10.OD2 other bump:1.3525 Ang G1.C and D10.OD2 other bump:2.32385 Ang Y2.N and D10.OD2 other bump:1.07506 Ang G1.O and D10.OD1 other bump:2.29594 Ang G1.C and D10.OD1 other bump:1.22292 Ang G1.O and D10.CG other bump:1.97061 Ang G1.C and D10.CG other bump:2.88218 Ang Y2.N and D10.CG other bump:2.67286 Ang G1.O and D10.CB self-bump: 1.26574 Ang D10.CA and D10.CB other bump:2.12514 Ang Y2.CD1 and P9.C other bump:2.6099 Ang Y2.CE1 and P9.C other bump:1.79735 Ang Y2.CD1 and P9.O other bump:2.1638 Ang Y2.CE1 and P9.O other bump:2.69005 Ang Y2.CD1 and P9.CA other bump:2.58899 Ang Y2.CE1 and P9.CA other bump:2.80037 Ang Y2.CD1 and V8.O neighbor-bump: 1.85358 Ang P7.O and V8.CG2 neighbor-bump: 2.64475 Ang P7.C and V8.CG2 self-bump: 1.37892 Ang P7.N and P7.CD other bump:2.51051 Ang G5.C and P7.CD neighbor-bump: 2.46705 Ang H6.N and P7.CD other bump:2.26061 Ang Y2.OH and A4.C other bump:2.73695 Ang Y2.CE2 and A4.C other bump:2.47285 Ang Y2.CZ and A4.C other bump:1.66442 Ang Y2.OH and A4.O other bump:2.5321 Ang Y2.CZ and A4.O neighbor-bump: 2.28494 Ang E3.O and A4.CB neighbor-bump: 2.60435 Ang E3.C and A4.CB other bump:2.6999 Ang Y2.CD2 and A4.CA other bump:1.94435 Ang Y2.CE2 and A4.CA other bump:2.48614 Ang Y2.CZ and A4.CA other bump:3.06749 Ang Y2.CG and A4.N other bump:2.47633 Ang Y2.CD2 and A4.N other bump:2.4753 Ang Y2.CE2 and A4.N other bump:3.04001 Ang Y2.CZ and A4.N Number of specific fragments= 2 total=1187 Number of alignments=246 # Reading fragments from alignment file # T0187 read from T0187-1aqlA-local-adpstyle5.pw.a2m.gz # 1aqlA read from T0187-1aqlA-local-adpstyle5.pw.a2m.gz # found chain 1aqlA in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDF 1aqlA 105 :YGGAFLMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFL Fragment has 119 clashes (null) has 119 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.87006 Ang I6.CG2 and D47.OD1 other bump:2.00326 Ang S41.O and D46.OD2 other bump:1.55475 Ang S41.C and D46.OD2 other bump:0.931177 Ang E42.N and D46.OD2 other bump:1.01138 Ang E42.CA and D46.OD2 other bump:1.95601 Ang E42.C and D46.OD2 other bump:2.54931 Ang E42.CB and D46.OD2 other bump:2.25881 Ang S41.OG and D46.OD1 other bump:1.56111 Ang S41.CA and D46.OD1 other bump:1.60129 Ang S41.CB and D46.OD1 other bump:2.15388 Ang S41.O and D46.OD1 other bump:1.40372 Ang S41.C and D46.OD1 other bump:2.05218 Ang E42.N and D46.OD1 other bump:2.40162 Ang S41.CA and D46.CG other bump:2.80178 Ang S41.CB and D46.CG other bump:1.5896 Ang S41.O and D46.CG other bump:1.2608 Ang S41.C and D46.CG other bump:1.62964 Ang E42.N and D46.CG other bump:2.24337 Ang E42.CA and D46.CG other bump:2.74214 Ang E42.C and D46.CG other bump:2.08963 Ang S41.O and D46.CB other bump:2.57077 Ang S41.C and D46.CB other bump:3.06663 Ang E42.N and D46.CB other bump:3.15084 Ang E42.CA and D46.CB other bump:1.78954 Ang L7.O and E42.OE2 other bump:2.53356 Ang L7.C and E42.OE2 other bump:2.77897 Ang V8.CA and E42.OE2 other bump:1.65278 Ang V8.C and E42.OE1 other bump:2.57063 Ang L7.C and E42.OE1 other bump:1.86284 Ang V8.N and E42.OE1 other bump:1.47996 Ang V8.CA and E42.OE1 other bump:2.14094 Ang V8.O and E42.OE1 other bump:2.89204 Ang V8.C and E42.CD other bump:3.29412 Ang L7.CA and E42.CD other bump:2.04422 Ang L7.O and E42.CD other bump:2.11383 Ang L7.C and E42.CD other bump:2.1369 Ang V8.N and E42.CD other bump:2.26551 Ang V8.CA and E42.CD other bump:2.79811 Ang L7.CA and E42.CG other bump:2.35329 Ang L7.C and E42.CG other bump:2.69885 Ang V8.N and E42.CG other bump:2.09598 Ang G11.O and K37.NZ other bump:2.85447 Ang G11.C and K37.NZ other bump:2.34091 Ang K12.CA and K37.NZ other bump:2.35771 Ang K12.C and K37.NZ other bump:1.31401 Ang G11.O and K37.CE other bump:2.52278 Ang G11.C and K37.CE other bump:2.98635 Ang G11.CA and K37.CD other bump:1.19144 Ang G11.O and K37.CD other bump:2.04683 Ang G11.C and K37.CD other bump:2.96404 Ang K12.N and K37.CD other bump:3.19773 Ang G11.CA and K37.CG other bump:2.23851 Ang G11.O and K37.CG other bump:2.95318 Ang G11.C and K37.CG other bump:3.09335 Ang V24.CG1 and V35.C other bump:2.31406 Ang V24.CG1 and V35.CG2 other bump:2.35582 Ang K28.CG and V35.CG2 other bump:3.2324 Ang K28.CD and V35.CG2 other bump:2.18357 Ang V24.CG2 and V35.CG1 other bump:1.36325 Ang V24.CG1 and V35.CG1 other bump:2.14123 Ang V24.CB and V35.CG1 other bump:1.32888 Ang V24.CG1 and V35.CB other bump:2.80949 Ang V24.CB and V35.CB other bump:2.68999 Ang V24.CG1 and V35.CA other bump:2.97607 Ang K28.CG and V35.N other bump:2.48754 Ang K28.CD and V35.N other bump:2.77097 Ang K28.CB and V33.O other bump:2.89342 Ang V24.CG1 and K28.NZ other bump:2.09103 Ang V24.O and K28.NZ other bump:3.06396 Ang W15.CE3 and M17.N neighbor-bump: 2.43964 Ang A13.CB and A14.N self-bump: 2.1752 Ang A13.CB and A13.C self-bump: 1.25336 Ang A13.CA and A13.CB other bump:2.97675 Ang R4.NE and V10.N other bump:2.55643 Ang R4.CZ and V10.N other bump:2.76256 Ang R4.NH2 and V10.N neighbor-bump: 2.31889 Ang A9.CB and V10.N other bump:1.62069 Ang R4.NH1 and A9.C other bump:2.2714 Ang R4.NE and A9.C other bump:1.39876 Ang R4.CZ and A9.C other bump:1.82567 Ang R4.NH2 and A9.C self-bump: 2.2004 Ang A9.CB and A9.C other bump:1.59379 Ang R4.NH1 and A9.O other bump:1.90308 Ang R4.CZ and A9.O other bump:1.8736 Ang R4.NH2 and A9.O other bump:1.69764 Ang R4.CD and A9.CB other bump:1.21129 Ang R4.NE and A9.CB other bump:2.01638 Ang R4.CZ and A9.CB other bump:2.76688 Ang R4.NH2 and A9.CB self-bump: 1.35565 Ang A9.CA and A9.CB other bump:2.81594 Ang R4.CG and A9.CB other bump:1.63342 Ang R4.NH1 and A9.CA other bump:1.86666 Ang R4.CD and A9.CA other bump:0.888603 Ang R4.NE and A9.CA other bump:0.837309 Ang R4.CZ and A9.CA other bump:2.03839 Ang R4.NH2 and A9.CA other bump:3.17772 Ang R4.CG and A9.CA other bump:1.56156 Ang R4.NH1 and A9.N other bump:1.98608 Ang R4.CD and A9.N other bump:1.74302 Ang R4.NE and A9.N other bump:1.65148 Ang R4.CZ and A9.N other bump:3.15855 Ang R4.CG and A9.N other bump:2.51041 Ang R4.NH1 and V8.C other bump:2.49733 Ang R4.CD and V8.C other bump:2.26638 Ang R4.NE and V8.C other bump:2.33596 Ang R4.CZ and V8.C other bump:2.56916 Ang R4.CB and V8.C other bump:3.05326 Ang R4.CG and V8.C other bump:2.47023 Ang R4.CZ and V8.O other bump:2.26282 Ang R4.CB and V8.O other bump:2.51256 Ang R4.CD and V8.CG1 other bump:2.98014 Ang R4.CB and V8.CG1 other bump:2.76623 Ang R4.CG and V8.CG1 other bump:3.19529 Ang R4.CD and V8.CB other bump:2.45155 Ang R4.CB and V8.CB other bump:3.1838 Ang R4.CB and V8.CA other bump:3.03203 Ang V5.CB and L7.CD2 other bump:2.80254 Ang V5.CG1 and L7.CD2 neighbor-bump: 2.52407 Ang D3.O and R4.CG T0187 86 :YEAGHPVPDENTIKTTRRVLELVDQL 1aqlA 152 :STGDSNLPGNYGLWDQHMAIAWVKRN Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.72207 Ang K15.CG and R18.NH2 neighbor-bump: 2.40196 Ang D10.CB and E11.N self-bump: 2.16037 Ang D10.CB and D10.C other bump:1.53781 Ang G1.O and D10.OD2 other bump:1.3525 Ang G1.C and D10.OD2 other bump:2.32385 Ang Y2.N and D10.OD2 other bump:1.07506 Ang G1.O and D10.OD1 other bump:2.29594 Ang G1.C and D10.OD1 other bump:1.22292 Ang G1.O and D10.CG other bump:1.97061 Ang G1.C and D10.CG other bump:2.88218 Ang Y2.N and D10.CG other bump:2.67286 Ang G1.O and D10.CB self-bump: 1.26574 Ang D10.CA and D10.CB other bump:2.12514 Ang Y2.CD1 and P9.C other bump:2.6099 Ang Y2.CE1 and P9.C other bump:1.79735 Ang Y2.CD1 and P9.O other bump:2.1638 Ang Y2.CE1 and P9.O other bump:2.69005 Ang Y2.CD1 and P9.CA other bump:2.58899 Ang Y2.CE1 and P9.CA other bump:2.80037 Ang Y2.CD1 and V8.O neighbor-bump: 1.85358 Ang P7.O and V8.CG2 neighbor-bump: 2.64475 Ang P7.C and V8.CG2 neighbor-bump: 2.46705 Ang H6.N and P7.CD self-bump: 1.37892 Ang P7.N and P7.CD other bump:2.51051 Ang G5.C and P7.CD other bump:2.73695 Ang Y2.CE2 and A4.C other bump:2.47285 Ang Y2.CZ and A4.C other bump:2.26061 Ang Y2.OH and A4.C other bump:2.5321 Ang Y2.CZ and A4.O other bump:1.66442 Ang Y2.OH and A4.O neighbor-bump: 2.28494 Ang E3.O and A4.CB neighbor-bump: 2.60435 Ang E3.C and A4.CB other bump:2.6999 Ang Y2.CD2 and A4.CA other bump:1.94435 Ang Y2.CE2 and A4.CA other bump:2.48614 Ang Y2.CZ and A4.CA other bump:3.06749 Ang Y2.CG and A4.N other bump:2.47633 Ang Y2.CD2 and A4.N other bump:2.4753 Ang Y2.CE2 and A4.N other bump:3.04001 Ang Y2.CZ and A4.N T0187 112 :NENDTVLFLLSGGGSS 1aqlA 184 :DPDNITLFGESAGGAS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.13266 Ang L10.CD1 and G15.CA other bump:2.12601 Ang L10.CD1 and G15.N other bump:3.13116 Ang L11.C and G15.N other bump:2.56666 Ang L10.CG and G14.C other bump:1.13304 Ang L10.CD1 and G14.C other bump:2.39102 Ang L10.CG and G14.O other bump:1.53637 Ang L10.CD1 and G14.O other bump:2.88557 Ang L10.CG and G14.CA other bump:1.58141 Ang L10.CD1 and G14.CA neighbor-bump: 2.39417 Ang L11.CB and S12.N self-bump: 2.17445 Ang L11.CB and L11.C self-bump: 1.2703 Ang L11.CA and L11.CB Number of specific fragments= 3 total=1190 Number of alignments=247 # Reading fragments from alignment file # T0187 read from T0187-1aqlA-simpleSW-adpstyle1.pw.a2m.gz # 1aqlA read from T0187-1aqlA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1aqlA in template set T0187 8 :KKLAIEIVKKSIEAVFPD 1aqlA 167 :QHMAIAWVKRNIEAFGGD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:1.67674 Ang I13.O and P18.CD other bump:2.75433 Ang I13.C and P18.CD other bump:2.94803 Ang V16.C and P18.CD neighbor-bump: 2.46039 Ang F17.N and P18.CD other bump:2.89335 Ang I13.CA and P18.CG other bump:1.80992 Ang I13.O and P18.CG other bump:2.2862 Ang I13.C and P18.CG other bump:2.67863 Ang I13.CB and P18.CG other bump:2.06927 Ang I13.CG1 and P18.CG other bump:2.98092 Ang I13.CG2 and P18.CG other bump:2.5223 Ang I13.CG1 and P18.CB neighbor-bump: 2.58764 Ang V16.O and F17.CD1 Number of specific fragments= 1 total=1191 # Reading fragments from alignment file # T0187 read from T0187-1aqlA-simpleSW-adpstyle5.pw.a2m.gz # 1aqlA read from T0187-1aqlA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1aqlA in template set T0187 42 :LVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDFEIYEAGHP 1aqlA 110 :LMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFLSTGDSNLP Fragment has 82 clashes (null) has 82 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 52 residues other bump:2.2908 Ang E44.CG and G52.CA other bump:2.70676 Ang E44.CD and G52.CA other bump:2.66563 Ang E44.OE1 and G52.CA other bump:2.84205 Ang E44.CG and G52.N other bump:3.022 Ang E44.CG and P51.C other bump:2.42465 Ang E44.CD and P51.O other bump:2.53625 Ang F43.CD2 and H50.NE2 other bump:2.00326 Ang S36.O and D41.OD2 other bump:1.55475 Ang S36.C and D41.OD2 other bump:0.931177 Ang E37.N and D41.OD2 other bump:1.01138 Ang E37.CA and D41.OD2 other bump:2.54931 Ang E37.CB and D41.OD2 other bump:1.95601 Ang E37.C and D41.OD2 other bump:1.56111 Ang S36.CA and D41.OD1 other bump:1.60129 Ang S36.CB and D41.OD1 other bump:2.25881 Ang S36.OG and D41.OD1 other bump:2.15388 Ang S36.O and D41.OD1 other bump:1.40372 Ang S36.C and D41.OD1 other bump:2.05218 Ang E37.N and D41.OD1 other bump:2.40162 Ang S36.CA and D41.CG other bump:2.80178 Ang S36.CB and D41.CG other bump:1.5896 Ang S36.O and D41.CG other bump:1.2608 Ang S36.C and D41.CG other bump:1.62964 Ang E37.N and D41.CG other bump:2.24337 Ang E37.CA and D41.CG other bump:2.74214 Ang E37.C and D41.CG other bump:2.08963 Ang S36.O and D41.CB other bump:2.57077 Ang S36.C and D41.CB other bump:3.06663 Ang E37.N and D41.CB other bump:3.15084 Ang E37.CA and D41.CB other bump:1.78954 Ang L2.O and E37.OE2 other bump:2.53356 Ang L2.C and E37.OE2 other bump:2.77897 Ang V3.CA and E37.OE2 other bump:2.57063 Ang L2.C and E37.OE1 other bump:1.86284 Ang V3.N and E37.OE1 other bump:1.47996 Ang V3.CA and E37.OE1 other bump:2.14094 Ang V3.O and E37.OE1 other bump:1.65278 Ang V3.C and E37.OE1 other bump:2.04422 Ang L2.O and E37.CD other bump:3.29412 Ang L2.CA and E37.CD other bump:2.11383 Ang L2.C and E37.CD other bump:2.1369 Ang V3.N and E37.CD other bump:2.26551 Ang V3.CA and E37.CD other bump:2.89204 Ang V3.C and E37.CD other bump:2.79811 Ang L2.CA and E37.CG other bump:2.35329 Ang L2.C and E37.CG other bump:2.69885 Ang V3.N and E37.CG other bump:2.09598 Ang G6.O and K32.NZ other bump:2.85447 Ang G6.C and K32.NZ other bump:2.34091 Ang K7.CA and K32.NZ other bump:2.35771 Ang K7.C and K32.NZ other bump:1.31401 Ang G6.O and K32.CE other bump:2.52278 Ang G6.C and K32.CE other bump:2.98635 Ang G6.CA and K32.CD other bump:1.19144 Ang G6.O and K32.CD other bump:2.04683 Ang G6.C and K32.CD other bump:2.96404 Ang K7.N and K32.CD other bump:3.19773 Ang G6.CA and K32.CG other bump:2.23851 Ang G6.O and K32.CG other bump:2.95318 Ang G6.C and K32.CG other bump:3.09335 Ang V19.CG1 and V30.C other bump:2.35582 Ang K23.CG and V30.CG2 other bump:3.2324 Ang K23.CD and V30.CG2 other bump:2.31406 Ang V19.CG1 and V30.CG2 other bump:2.14123 Ang V19.CB and V30.CG1 other bump:2.18357 Ang V19.CG2 and V30.CG1 other bump:1.36325 Ang V19.CG1 and V30.CG1 other bump:2.80949 Ang V19.CB and V30.CB other bump:1.32888 Ang V19.CG1 and V30.CB other bump:2.68999 Ang V19.CG1 and V30.CA other bump:2.97607 Ang K23.CG and V30.N other bump:2.48754 Ang K23.CD and V30.N other bump:2.77097 Ang K23.CB and V28.O other bump:2.89342 Ang V19.CG1 and K23.NZ other bump:2.09103 Ang V19.O and K23.NZ other bump:3.06396 Ang W10.CE3 and M12.N neighbor-bump: 2.43964 Ang A8.CB and A9.N self-bump: 2.1752 Ang A8.CB and A8.C self-bump: 1.25336 Ang A8.CA and A8.CB neighbor-bump: 2.31889 Ang A4.CB and V5.N self-bump: 2.2004 Ang A4.CB and A4.C self-bump: 1.35565 Ang A4.CA and A4.CB T0187 92 :VPDENTIKTTRRVLELVDQLNEN 1aqlA 165 :WDQHMAIAWVKRNIEAFGGDPDN Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.24389 Ang L15.CG and Q20.NE2 other bump:0.751314 Ang L15.CD1 and Q20.NE2 other bump:2.64934 Ang L15.CD2 and Q20.OE1 other bump:2.15252 Ang L15.CD1 and Q20.OE1 other bump:2.18381 Ang L15.CG and Q20.CD other bump:2.7092 Ang L15.CD2 and Q20.CD other bump:1.31271 Ang L15.CD1 and Q20.CD other bump:2.58727 Ang L15.CG and Q20.CG other bump:2.36194 Ang L15.CD1 and Q20.CG other bump:2.26533 Ang L15.CG and Q20.CB other bump:2.7817 Ang L15.CD2 and Q20.CB other bump:2.9388 Ang L15.CD1 and Q20.CB other bump:2.5771 Ang E5.CD and K9.NZ other bump:2.00614 Ang E5.OE2 and K9.NZ other bump:2.52357 Ang E5.CD and K9.CE other bump:1.68574 Ang E5.OE2 and K9.CE T0187 116 :TVLFLLSGGGSS 1aqlA 188 :ITLFGESAGGAS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.13266 Ang L6.CD1 and G11.CA other bump:2.12601 Ang L6.CD1 and G11.N other bump:3.13116 Ang L7.C and G11.N other bump:2.56666 Ang L6.CG and G10.C other bump:1.13304 Ang L6.CD1 and G10.C other bump:2.39102 Ang L6.CG and G10.O other bump:1.53637 Ang L6.CD1 and G10.O other bump:2.88557 Ang L6.CG and G10.CA other bump:1.58141 Ang L6.CD1 and G10.CA neighbor-bump: 2.39417 Ang L7.CB and S8.N self-bump: 2.17445 Ang L7.CB and L7.C self-bump: 1.2703 Ang L7.CA and L7.CB Number of specific fragments= 3 total=1194 Number of alignments=248 # Reading fragments from alignment file # T0187 read from T0187-1aqlA-vit-adpstyle1.pw.a2m.gz # 1aqlA read from T0187-1aqlA-vit-adpstyle1.pw.a2m.gz # found chain 1aqlA in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDF 1aqlA 105 :YGGAFLMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFL Fragment has 119 clashes (null) has 119 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.87006 Ang I6.CG2 and D47.OD1 other bump:2.00326 Ang S41.O and D46.OD2 other bump:1.55475 Ang S41.C and D46.OD2 other bump:0.931177 Ang E42.N and D46.OD2 other bump:1.01138 Ang E42.CA and D46.OD2 other bump:1.95601 Ang E42.C and D46.OD2 other bump:2.54931 Ang E42.CB and D46.OD2 other bump:2.25881 Ang S41.OG and D46.OD1 other bump:1.56111 Ang S41.CA and D46.OD1 other bump:1.60129 Ang S41.CB and D46.OD1 other bump:2.15388 Ang S41.O and D46.OD1 other bump:1.40372 Ang S41.C and D46.OD1 other bump:2.05218 Ang E42.N and D46.OD1 other bump:2.40162 Ang S41.CA and D46.CG other bump:2.80178 Ang S41.CB and D46.CG other bump:1.5896 Ang S41.O and D46.CG other bump:1.2608 Ang S41.C and D46.CG other bump:1.62964 Ang E42.N and D46.CG other bump:2.24337 Ang E42.CA and D46.CG other bump:2.74214 Ang E42.C and D46.CG other bump:2.08963 Ang S41.O and D46.CB other bump:2.57077 Ang S41.C and D46.CB other bump:3.06663 Ang E42.N and D46.CB other bump:3.15084 Ang E42.CA and D46.CB other bump:1.78954 Ang L7.O and E42.OE2 other bump:2.53356 Ang L7.C and E42.OE2 other bump:2.77897 Ang V8.CA and E42.OE2 other bump:1.65278 Ang V8.C and E42.OE1 other bump:2.57063 Ang L7.C and E42.OE1 other bump:1.86284 Ang V8.N and E42.OE1 other bump:1.47996 Ang V8.CA and E42.OE1 other bump:2.14094 Ang V8.O and E42.OE1 other bump:2.89204 Ang V8.C and E42.CD other bump:3.29412 Ang L7.CA and E42.CD other bump:2.04422 Ang L7.O and E42.CD other bump:2.11383 Ang L7.C and E42.CD other bump:2.1369 Ang V8.N and E42.CD other bump:2.26551 Ang V8.CA and E42.CD other bump:2.79811 Ang L7.CA and E42.CG other bump:2.35329 Ang L7.C and E42.CG other bump:2.69885 Ang V8.N and E42.CG other bump:2.09598 Ang G11.O and K37.NZ other bump:2.85447 Ang G11.C and K37.NZ other bump:2.34091 Ang K12.CA and K37.NZ other bump:2.35771 Ang K12.C and K37.NZ other bump:1.31401 Ang G11.O and K37.CE other bump:2.52278 Ang G11.C and K37.CE other bump:2.98635 Ang G11.CA and K37.CD other bump:1.19144 Ang G11.O and K37.CD other bump:2.04683 Ang G11.C and K37.CD other bump:2.96404 Ang K12.N and K37.CD other bump:3.19773 Ang G11.CA and K37.CG other bump:2.23851 Ang G11.O and K37.CG other bump:2.95318 Ang G11.C and K37.CG other bump:3.09335 Ang V24.CG1 and V35.C other bump:2.31406 Ang V24.CG1 and V35.CG2 other bump:2.35582 Ang K28.CG and V35.CG2 other bump:3.2324 Ang K28.CD and V35.CG2 other bump:2.18357 Ang V24.CG2 and V35.CG1 other bump:1.36325 Ang V24.CG1 and V35.CG1 other bump:2.14123 Ang V24.CB and V35.CG1 other bump:1.32888 Ang V24.CG1 and V35.CB other bump:2.80949 Ang V24.CB and V35.CB other bump:2.68999 Ang V24.CG1 and V35.CA other bump:2.97607 Ang K28.CG and V35.N other bump:2.48754 Ang K28.CD and V35.N other bump:2.77097 Ang K28.CB and V33.O other bump:2.89342 Ang V24.CG1 and K28.NZ other bump:2.09103 Ang V24.O and K28.NZ other bump:3.06396 Ang W15.CE3 and M17.N neighbor-bump: 2.43964 Ang A13.CB and A14.N self-bump: 2.1752 Ang A13.CB and A13.C self-bump: 1.25336 Ang A13.CA and A13.CB other bump:2.97675 Ang R4.NE and V10.N other bump:2.55643 Ang R4.CZ and V10.N other bump:2.76256 Ang R4.NH2 and V10.N neighbor-bump: 2.31889 Ang A9.CB and V10.N other bump:1.62069 Ang R4.NH1 and A9.C other bump:2.2714 Ang R4.NE and A9.C other bump:1.39876 Ang R4.CZ and A9.C other bump:1.82567 Ang R4.NH2 and A9.C self-bump: 2.2004 Ang A9.CB and A9.C other bump:1.59379 Ang R4.NH1 and A9.O other bump:1.90308 Ang R4.CZ and A9.O other bump:1.8736 Ang R4.NH2 and A9.O other bump:1.69764 Ang R4.CD and A9.CB other bump:1.21129 Ang R4.NE and A9.CB other bump:2.01638 Ang R4.CZ and A9.CB other bump:2.76688 Ang R4.NH2 and A9.CB self-bump: 1.35565 Ang A9.CA and A9.CB other bump:2.81594 Ang R4.CG and A9.CB other bump:1.63342 Ang R4.NH1 and A9.CA other bump:1.86666 Ang R4.CD and A9.CA other bump:0.888603 Ang R4.NE and A9.CA other bump:0.837309 Ang R4.CZ and A9.CA other bump:2.03839 Ang R4.NH2 and A9.CA other bump:3.17772 Ang R4.CG and A9.CA other bump:1.56156 Ang R4.NH1 and A9.N other bump:1.98608 Ang R4.CD and A9.N other bump:1.74302 Ang R4.NE and A9.N other bump:1.65148 Ang R4.CZ and A9.N other bump:3.15855 Ang R4.CG and A9.N other bump:2.51041 Ang R4.NH1 and V8.C other bump:2.49733 Ang R4.CD and V8.C other bump:2.26638 Ang R4.NE and V8.C other bump:2.33596 Ang R4.CZ and V8.C other bump:2.56916 Ang R4.CB and V8.C other bump:3.05326 Ang R4.CG and V8.C other bump:2.47023 Ang R4.CZ and V8.O other bump:2.26282 Ang R4.CB and V8.O other bump:2.51256 Ang R4.CD and V8.CG1 other bump:2.98014 Ang R4.CB and V8.CG1 other bump:2.76623 Ang R4.CG and V8.CG1 other bump:3.19529 Ang R4.CD and V8.CB other bump:2.45155 Ang R4.CB and V8.CB other bump:3.1838 Ang R4.CB and V8.CA other bump:3.03203 Ang V5.CB and L7.CD2 other bump:2.80254 Ang V5.CG1 and L7.CD2 neighbor-bump: 2.52407 Ang D3.O and R4.CG T0187 86 :YEAGHPVPDENTIKTTRRVLELVDQ 1aqlA 152 :STGDSNLPGNYGLWDQHMAIAWVKR Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.72207 Ang K15.CG and R18.NH2 neighbor-bump: 2.40196 Ang D10.CB and E11.N self-bump: 2.16037 Ang D10.CB and D10.C other bump:1.53781 Ang G1.O and D10.OD2 other bump:1.3525 Ang G1.C and D10.OD2 other bump:2.32385 Ang Y2.N and D10.OD2 other bump:1.07506 Ang G1.O and D10.OD1 other bump:2.29594 Ang G1.C and D10.OD1 other bump:1.22292 Ang G1.O and D10.CG other bump:1.97061 Ang G1.C and D10.CG other bump:2.88218 Ang Y2.N and D10.CG other bump:2.67286 Ang G1.O and D10.CB self-bump: 1.26574 Ang D10.CA and D10.CB other bump:2.12514 Ang Y2.CD1 and P9.C other bump:2.6099 Ang Y2.CE1 and P9.C other bump:1.79735 Ang Y2.CD1 and P9.O other bump:2.1638 Ang Y2.CE1 and P9.O other bump:2.69005 Ang Y2.CD1 and P9.CA other bump:2.58899 Ang Y2.CE1 and P9.CA other bump:2.80037 Ang Y2.CD1 and V8.O neighbor-bump: 1.85358 Ang P7.O and V8.CG2 neighbor-bump: 2.64475 Ang P7.C and V8.CG2 self-bump: 1.37892 Ang P7.N and P7.CD other bump:2.51051 Ang G5.C and P7.CD neighbor-bump: 2.46705 Ang H6.N and P7.CD other bump:2.26061 Ang Y2.OH and A4.C other bump:2.73695 Ang Y2.CE2 and A4.C other bump:2.47285 Ang Y2.CZ and A4.C other bump:1.66442 Ang Y2.OH and A4.O other bump:2.5321 Ang Y2.CZ and A4.O neighbor-bump: 2.28494 Ang E3.O and A4.CB neighbor-bump: 2.60435 Ang E3.C and A4.CB other bump:2.6999 Ang Y2.CD2 and A4.CA other bump:1.94435 Ang Y2.CE2 and A4.CA other bump:2.48614 Ang Y2.CZ and A4.CA other bump:3.06749 Ang Y2.CG and A4.N other bump:2.47633 Ang Y2.CD2 and A4.N other bump:2.4753 Ang Y2.CE2 and A4.N other bump:3.04001 Ang Y2.CZ and A4.N Number of specific fragments= 2 total=1196 Number of alignments=249 # Reading fragments from alignment file # T0187 read from T0187-1aqlA-vit-adpstyle5.pw.a2m.gz # 1aqlA read from T0187-1aqlA-vit-adpstyle5.pw.a2m.gz # found chain 1aqlA in template set T0187 37 :LDRVILVAVGKAAWRMAKAAYEVLGKKIRKGVVVTKYGHSEGPIDDF 1aqlA 105 :YGGAFLMGASQGANFLSNYLYDGEEIATRGNVIVVTFNYRVGPLGFL Fragment has 119 clashes (null) has 119 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.87006 Ang I6.CG2 and D47.OD1 other bump:2.00326 Ang S41.O and D46.OD2 other bump:1.55475 Ang S41.C and D46.OD2 other bump:0.931177 Ang E42.N and D46.OD2 other bump:1.01138 Ang E42.CA and D46.OD2 other bump:1.95601 Ang E42.C and D46.OD2 other bump:2.54931 Ang E42.CB and D46.OD2 other bump:2.25881 Ang S41.OG and D46.OD1 other bump:1.56111 Ang S41.CA and D46.OD1 other bump:1.60129 Ang S41.CB and D46.OD1 other bump:2.15388 Ang S41.O and D46.OD1 other bump:1.40372 Ang S41.C and D46.OD1 other bump:2.05218 Ang E42.N and D46.OD1 other bump:2.40162 Ang S41.CA and D46.CG other bump:2.80178 Ang S41.CB and D46.CG other bump:1.5896 Ang S41.O and D46.CG other bump:1.2608 Ang S41.C and D46.CG other bump:1.62964 Ang E42.N and D46.CG other bump:2.24337 Ang E42.CA and D46.CG other bump:2.74214 Ang E42.C and D46.CG other bump:2.08963 Ang S41.O and D46.CB other bump:2.57077 Ang S41.C and D46.CB other bump:3.06663 Ang E42.N and D46.CB other bump:3.15084 Ang E42.CA and D46.CB other bump:1.78954 Ang L7.O and E42.OE2 other bump:2.53356 Ang L7.C and E42.OE2 other bump:2.77897 Ang V8.CA and E42.OE2 other bump:1.65278 Ang V8.C and E42.OE1 other bump:2.57063 Ang L7.C and E42.OE1 other bump:1.86284 Ang V8.N and E42.OE1 other bump:1.47996 Ang V8.CA and E42.OE1 other bump:2.14094 Ang V8.O and E42.OE1 other bump:2.89204 Ang V8.C and E42.CD other bump:3.29412 Ang L7.CA and E42.CD other bump:2.04422 Ang L7.O and E42.CD other bump:2.11383 Ang L7.C and E42.CD other bump:2.1369 Ang V8.N and E42.CD other bump:2.26551 Ang V8.CA and E42.CD other bump:2.79811 Ang L7.CA and E42.CG other bump:2.35329 Ang L7.C and E42.CG other bump:2.69885 Ang V8.N and E42.CG other bump:2.09598 Ang G11.O and K37.NZ other bump:2.85447 Ang G11.C and K37.NZ other bump:2.34091 Ang K12.CA and K37.NZ other bump:2.35771 Ang K12.C and K37.NZ other bump:1.31401 Ang G11.O and K37.CE other bump:2.52278 Ang G11.C and K37.CE other bump:2.98635 Ang G11.CA and K37.CD other bump:1.19144 Ang G11.O and K37.CD other bump:2.04683 Ang G11.C and K37.CD other bump:2.96404 Ang K12.N and K37.CD other bump:3.19773 Ang G11.CA and K37.CG other bump:2.23851 Ang G11.O and K37.CG other bump:2.95318 Ang G11.C and K37.CG other bump:3.09335 Ang V24.CG1 and V35.C other bump:2.31406 Ang V24.CG1 and V35.CG2 other bump:2.35582 Ang K28.CG and V35.CG2 other bump:3.2324 Ang K28.CD and V35.CG2 other bump:2.18357 Ang V24.CG2 and V35.CG1 other bump:1.36325 Ang V24.CG1 and V35.CG1 other bump:2.14123 Ang V24.CB and V35.CG1 other bump:1.32888 Ang V24.CG1 and V35.CB other bump:2.80949 Ang V24.CB and V35.CB other bump:2.68999 Ang V24.CG1 and V35.CA other bump:2.97607 Ang K28.CG and V35.N other bump:2.48754 Ang K28.CD and V35.N other bump:2.77097 Ang K28.CB and V33.O other bump:2.89342 Ang V24.CG1 and K28.NZ other bump:2.09103 Ang V24.O and K28.NZ other bump:3.06396 Ang W15.CE3 and M17.N neighbor-bump: 2.43964 Ang A13.CB and A14.N self-bump: 2.1752 Ang A13.CB and A13.C self-bump: 1.25336 Ang A13.CA and A13.CB other bump:2.97675 Ang R4.NE and V10.N other bump:2.55643 Ang R4.CZ and V10.N other bump:2.76256 Ang R4.NH2 and V10.N neighbor-bump: 2.31889 Ang A9.CB and V10.N other bump:1.62069 Ang R4.NH1 and A9.C other bump:2.2714 Ang R4.NE and A9.C other bump:1.39876 Ang R4.CZ and A9.C other bump:1.82567 Ang R4.NH2 and A9.C self-bump: 2.2004 Ang A9.CB and A9.C other bump:1.59379 Ang R4.NH1 and A9.O other bump:1.90308 Ang R4.CZ and A9.O other bump:1.8736 Ang R4.NH2 and A9.O other bump:1.69764 Ang R4.CD and A9.CB other bump:1.21129 Ang R4.NE and A9.CB other bump:2.01638 Ang R4.CZ and A9.CB other bump:2.76688 Ang R4.NH2 and A9.CB self-bump: 1.35565 Ang A9.CA and A9.CB other bump:2.81594 Ang R4.CG and A9.CB other bump:1.63342 Ang R4.NH1 and A9.CA other bump:1.86666 Ang R4.CD and A9.CA other bump:0.888603 Ang R4.NE and A9.CA other bump:0.837309 Ang R4.CZ and A9.CA other bump:2.03839 Ang R4.NH2 and A9.CA other bump:3.17772 Ang R4.CG and A9.CA other bump:1.56156 Ang R4.NH1 and A9.N other bump:1.98608 Ang R4.CD and A9.N other bump:1.74302 Ang R4.NE and A9.N other bump:1.65148 Ang R4.CZ and A9.N other bump:3.15855 Ang R4.CG and A9.N other bump:2.51041 Ang R4.NH1 and V8.C other bump:2.49733 Ang R4.CD and V8.C other bump:2.26638 Ang R4.NE and V8.C other bump:2.33596 Ang R4.CZ and V8.C other bump:2.56916 Ang R4.CB and V8.C other bump:3.05326 Ang R4.CG and V8.C other bump:2.47023 Ang R4.CZ and V8.O other bump:2.26282 Ang R4.CB and V8.O other bump:2.51256 Ang R4.CD and V8.CG1 other bump:2.98014 Ang R4.CB and V8.CG1 other bump:2.76623 Ang R4.CG and V8.CG1 other bump:3.19529 Ang R4.CD and V8.CB other bump:2.45155 Ang R4.CB and V8.CB other bump:3.1838 Ang R4.CB and V8.CA other bump:3.03203 Ang V5.CB and L7.CD2 other bump:2.80254 Ang V5.CG1 and L7.CD2 neighbor-bump: 2.52407 Ang D3.O and R4.CG T0187 86 :YEAGHPVPDENTIKTTRRVLELVDQL 1aqlA 152 :STGDSNLPGNYGLWDQHMAIAWVKRN Fragment has 39 clashes (null) has 39 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.72207 Ang K15.CG and R18.NH2 neighbor-bump: 2.40196 Ang D10.CB and E11.N self-bump: 2.16037 Ang D10.CB and D10.C other bump:1.53781 Ang G1.O and D10.OD2 other bump:1.3525 Ang G1.C and D10.OD2 other bump:2.32385 Ang Y2.N and D10.OD2 other bump:1.07506 Ang G1.O and D10.OD1 other bump:2.29594 Ang G1.C and D10.OD1 other bump:1.22292 Ang G1.O and D10.CG other bump:1.97061 Ang G1.C and D10.CG other bump:2.88218 Ang Y2.N and D10.CG other bump:2.67286 Ang G1.O and D10.CB self-bump: 1.26574 Ang D10.CA and D10.CB other bump:2.12514 Ang Y2.CD1 and P9.C other bump:2.6099 Ang Y2.CE1 and P9.C other bump:1.79735 Ang Y2.CD1 and P9.O other bump:2.1638 Ang Y2.CE1 and P9.O other bump:2.69005 Ang Y2.CD1 and P9.CA other bump:2.58899 Ang Y2.CE1 and P9.CA other bump:2.80037 Ang Y2.CD1 and V8.O neighbor-bump: 1.85358 Ang P7.O and V8.CG2 neighbor-bump: 2.64475 Ang P7.C and V8.CG2 neighbor-bump: 2.46705 Ang H6.N and P7.CD self-bump: 1.37892 Ang P7.N and P7.CD other bump:2.51051 Ang G5.C and P7.CD other bump:2.73695 Ang Y2.CE2 and A4.C other bump:2.47285 Ang Y2.CZ and A4.C other bump:2.26061 Ang Y2.OH and A4.C other bump:2.5321 Ang Y2.CZ and A4.O other bump:1.66442 Ang Y2.OH and A4.O neighbor-bump: 2.28494 Ang E3.O and A4.CB neighbor-bump: 2.60435 Ang E3.C and A4.CB other bump:2.6999 Ang Y2.CD2 and A4.CA other bump:1.94435 Ang Y2.CE2 and A4.CA other bump:2.48614 Ang Y2.CZ and A4.CA other bump:3.06749 Ang Y2.CG and A4.N other bump:2.47633 Ang Y2.CD2 and A4.N other bump:2.4753 Ang Y2.CE2 and A4.N other bump:3.04001 Ang Y2.CZ and A4.N T0187 112 :NENDTVLFLLSGGGSS 1aqlA 184 :DPDNITLFGESAGGAS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.13266 Ang L10.CD1 and G15.CA other bump:2.12601 Ang L10.CD1 and G15.N other bump:3.13116 Ang L11.C and G15.N other bump:2.56666 Ang L10.CG and G14.C other bump:1.13304 Ang L10.CD1 and G14.C other bump:2.39102 Ang L10.CG and G14.O other bump:1.53637 Ang L10.CD1 and G14.O other bump:2.88557 Ang L10.CG and G14.CA other bump:1.58141 Ang L10.CD1 and G14.CA neighbor-bump: 2.39417 Ang L11.CB and S12.N self-bump: 2.17445 Ang L11.CB and L11.C self-bump: 1.2703 Ang L11.CA and L11.CB Number of specific fragments= 3 total=1199 Number of alignments=250 # Prefix for input files set to # command:# Prefix for input files set to # command:CPU_time= 70340 msec, elapsed time= 79648.4 msec) # command:# Will now start reporting costs to decoys/undertaker-try1.rdb # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.rand+1qmgA-T0187-fssp-global-adpstyle1.pw.a2m.gz:1qmgA at pool[157] 96.7974 cost/residue, 473 clashes 1.13172 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.rand+1qmgA-T0187-fssp-gl...+T0187-1pdo-local-adpstyle1.pw.a2m.gz:1pdo at pool[31] 87.4542 cost/residue, 343 clashes # command:# naming current conformation T0187.try1-al2 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al2+T0187-1lk5A-simpleSW-adpstyle1.pw.a2m.gz:1lk5A at pool[245] 85.2587 cost/residue, 404 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al2+T0187-1lk5A-simpleSW-adpstyle1.pw.a2m.gz:1lk5A 85.2587 cost/residue, 404 clashes # command:# naming current conformation T0187.try1-al4 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al4+1lk5A-T0187-vit-adpstyle5.pw.a2m.gz:1lk5A at pool[208] 84.6729 cost/residue, 482 clashes 0.0737325 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al4+1lk5A-T0187-vit-adpstyle5.pw.a2m.gz:1lk5A 84.6729 cost/residue, 482 clashes 0.0737325 breaks # command:# naming current conformation T0187.try1-al6 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi at pool[2] 81.1949 cost/residue, 182 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 81.1949 cost/residue, 182 clashes # command:# naming current conformation T0187.try1-al8 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al8 81.1949 cost/residue, 182 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al8 81.1949 cost/residue, 182 clashes # command:# naming current conformation T0187.try1-al10 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al10 81.1949 cost/residue, 182 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 250 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 251: T0187.try1-al10 81.1949 cost/residue, 182 clashes # command:# naming current conformation T0187.try1-al12 # command:# command:# CostConform T0187.try1-al12 costs 81.1949 T0187.try1-al10 costs 81.1949 T0187.try1-al10 costs 81.1949 T0187.try1-al8 costs 81.1949 T0187.try1-al8 costs 81.1949 T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi costs 81.1949 T0187.try1-al6 costs 84.6729 T0187.try1-al4+1lk5A-T0187-vit-adpstyle5.pw.a2m.gz:1lk5A costs 84.6729 T0187.try1-al4 costs 85.2587 T0187.try1-al2+T0187-1lk5A-simpleSW-adpstyle1.pw.a2m.gz:1lk5A costs 85.2587 T0187.try1-al2 costs 87.4542 T0187.rand+1qmgA-T0187-fssp-global-adpstyle1.pw.a2m.gz:1qmgA costs 96.7974 T0187.rand costs 149.852 # command:CPU_time= 335010 msec, elapsed time= 344650 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0187 read from T0187.t2k.frag # 1av1A.1.0 read from T0187.t2k.frag # adding 1av1A to template set 1av1A:# found chain 1av1A in template set T0187 1 :MFDPESLKK 1av1A 43 :MLKLLDNWD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.58666 Ang D3.OD1 and E5.CB other bump:1.72125 Ang F2.O and P4.CD other bump:2.29088 Ang F2.C and P4.CD neighbor-bump: 2.65395 Ang D3.N and P4.CD Number of specific fragments= 1 total=1200 # 1am7A.1.0 read from T0187.t2k.frag # adding 1am7A to template set 1am7A:Bad short name: NZ2 for alphabet: pdb_atoms Bad short name: NZ2 for alphabet: pdb_atoms Bad short name: NZ2 for alphabet: pdb_atoms Skipped atom 636, because occupancy 0.5 <= existing 0.500001 Skipped atom 638, because occupancy 0.5 <= existing 0.500001 Skipped atom 640, because occupancy 0.5 <= existing 0.500001 Skipped atom 642, because occupancy 0.5 <= existing 0.500001 Skipped atom 644, because occupancy 0.5 <= existing 0.500001 Skipped atom 646, because occupancy 0.5 <= existing 0.500001 Skipped atom 648, because occupancy 0.5 <= existing 0.500001 Bad short name: NZ2 for alphabet: pdb_atoms # found chain 1am7A in template set T0187 1 :MFDPESLKK 1am7A 1 :MVEINNQRK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.12591 Ang D3.O and K8.CE Number of specific fragments= 1 total=1201 # 1lea.1.0 read from T0187.t2k.frag # adding 1lea to template set 1lea:# found chain 1lea in template set T0187 1 :MFDPESLKK 1lea 1 :MKALTARQQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.20642 Ang M1.CE and F2.CZ neighbor-bump: 2.50554 Ang M1.SD and F2.CZ neighbor-bump: 1.73339 Ang M1.CE and F2.CE2 neighbor-bump: 1.61095 Ang M1.SD and F2.CE2 neighbor-bump: 3.27055 Ang M1.SD and F2.CE1 neighbor-bump: 2.92828 Ang M1.CE and F2.CD2 neighbor-bump: 1.84802 Ang M1.SD and F2.CD2 neighbor-bump: 2.80958 Ang M1.SD and F2.CG Number of specific fragments= 1 total=1202 # 1lea.1.1 read from T0187.t2k.frag # found chain 1lea in template set T0187 1 :MFDPESLKK 1lea 2 :KALTARQQE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.19109 Ang P4.CG and L7.CD2 other bump:2.63728 Ang P4.CD and L7.CD2 other bump:2.94517 Ang D3.CB and L7.CD1 other bump:2.8075 Ang P4.CG and L7.CG other bump:3.0907 Ang P4.CD and L7.CG self-bump: 1.38674 Ang P4.N and P4.CD Number of specific fragments= 1 total=1203 # 1av1A.1.1 read from T0187.t2k.frag # found chain 1av1A in template set T0187 1 :MFDPESLKK 1av1A 44 :LKLLDNWDS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.20729 Ang F2.CD1 and E5.OE2 other bump:2.26292 Ang F2.O and E5.OE2 other bump:2.20742 Ang F2.C and E5.OE1 other bump:1.24579 Ang F2.O and E5.OE1 other bump:2.97122 Ang F2.C and E5.CD other bump:2.73231 Ang F2.CD1 and E5.CD other bump:1.95764 Ang F2.O and E5.CD neighbor-bump: 1.77296 Ang D3.N and P4.CD neighbor-bump: 2.32564 Ang D3.CA and P4.CD self-bump: 1.30113 Ang P4.N and P4.CD other bump:3.09311 Ang F2.CA and P4.CD other bump:2.45551 Ang F2.C and P4.CD neighbor-bump: 2.08535 Ang D3.C and P4.CD self-bump: 2.16129 Ang P4.N and P4.CG other bump:2.97568 Ang F2.CE1 and P4.CB Number of specific fragments= 1 total=1204 # 1bax.1.1 read from T0187.t2k.frag # adding 1bax to template set 1bax:# found chain 1bax in template set Number of specific fragments= 0 total=1204 # 1lea.2.2 read from T0187.t2k.frag # found chain 1lea in template set T0187 2 :FDPESLKKL 1lea 3 :ALTARQQEV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19109 Ang P4.CG and L7.CD2 other bump:2.63728 Ang P4.CD and L7.CD2 other bump:2.94517 Ang D3.CB and L7.CD1 other bump:2.8075 Ang P4.CG and L7.CG other bump:3.0907 Ang P4.CD and L7.CG self-bump: 1.38674 Ang P4.N and P4.CD Number of specific fragments= 1 total=1205 # 1irf.2.2 read from T0187.t2k.frag # adding 1irf to template set 1irf:# found chain 1irf in template set T0187 2 :FDPESLKKL 1irf 4 :ERMRMRPWL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73251 Ang P4.CD and E5.N self-bump: 2.10849 Ang P4.N and P4.CG Number of specific fragments= 1 total=1206 # 1am7A.2.2 read from T0187.t2k.frag # found chain 1am7A in template set T0187 2 :FDPESLKKL 1am7A 3 :EINNQRKAF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80363 Ang P4.CD and L7.CD1 other bump:3.04511 Ang P4.CG and L7.CG neighbor-bump: 2.02894 Ang D3.C and P4.CD Number of specific fragments= 1 total=1207 # 1bax.2.2 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1207 # 1av1A.2.2 read from T0187.t2k.frag # found chain 1av1A in template set T0187 2 :FDPESLKKL 1av1A 45 :KLLDNWDSV Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55219 Ang F2.CD1 and E5.OE2 other bump:2.78357 Ang F2.CB and E5.OE2 other bump:2.26292 Ang F2.O and E5.OE2 other bump:1.24579 Ang F2.O and E5.OE1 other bump:2.20742 Ang F2.C and E5.OE1 other bump:2.92565 Ang F2.CD1 and E5.CD other bump:1.95764 Ang F2.O and E5.CD other bump:2.97122 Ang F2.C and E5.CD other bump:3.11701 Ang F2.CE1 and P4.C neighbor-bump: 1.77296 Ang D3.N and P4.CD neighbor-bump: 2.32564 Ang D3.CA and P4.CD self-bump: 1.30113 Ang P4.N and P4.CD other bump:3.09311 Ang F2.CA and P4.CD other bump:2.45551 Ang F2.C and P4.CD neighbor-bump: 2.08535 Ang D3.C and P4.CD self-bump: 2.16129 Ang P4.N and P4.CG other bump:2.66633 Ang F2.CD1 and P4.CB other bump:2.8198 Ang F2.CZ and P4.CB other bump:2.32742 Ang F2.CE1 and P4.CB Number of specific fragments= 1 total=1208 # 1beo.2.2 read from T0187.t2k.frag # adding 1beo to template set 1beo:# found chain 1beo in template set T0187 2 :FDPESLKKL 1beo 3 :CTATQQTAA Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.98784 Ang F2.CE1 and L7.CD2 other bump:1.65145 Ang F2.CD1 and L7.CD2 other bump:1.78203 Ang F2.CE2 and L7.CD2 other bump:1.11609 Ang F2.CZ and L7.CD2 other bump:2.21196 Ang F2.CG and L7.CD2 other bump:2.23082 Ang F2.CD2 and L7.CD2 other bump:1.60729 Ang F2.CE1 and L7.CD1 other bump:2.52166 Ang F2.CD1 and L7.CD1 other bump:2.63226 Ang F2.CZ and L7.CD1 other bump:1.02584 Ang F2.CE1 and L7.CG other bump:1.50016 Ang F2.CD1 and L7.CG other bump:2.7691 Ang F2.CG and L7.CG other bump:2.42799 Ang F2.CE1 and L7.CB other bump:2.79663 Ang F2.CD1 and L7.CB self-bump: 1.37504 Ang P4.CA and P4.CB Number of specific fragments= 1 total=1209 # 1irf.3.3 read from T0187.t2k.frag # found chain 1irf in template set T0187 3 :DPESLKKLA 1irf 5 :RMRMRPWLE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73251 Ang P3.CD and E4.N self-bump: 2.1085 Ang P3.N and P3.CG Number of specific fragments= 1 total=1210 # 1lea.3.3 read from T0187.t2k.frag # found chain 1lea in template set T0187 3 :DPESLKKLA 1lea 4 :LTARQQEVF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19109 Ang P3.CG and L6.CD2 other bump:2.63728 Ang P3.CD and L6.CD2 other bump:2.94518 Ang D2.CB and L6.CD1 other bump:2.8075 Ang P3.CG and L6.CG other bump:3.0907 Ang P3.CD and L6.CG self-bump: 1.38674 Ang P3.N and P3.CD Number of specific fragments= 1 total=1211 # 1am7A.3.3 read from T0187.t2k.frag # found chain 1am7A in template set T0187 3 :DPESLKKLA 1am7A 4 :INNQRKAFL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80364 Ang P3.CD and L6.CD1 other bump:3.04511 Ang P3.CG and L6.CG neighbor-bump: 2.02893 Ang D2.C and P3.CD Number of specific fragments= 1 total=1212 # 1bax.3.3 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1212 # 1av1A.3.3 read from T0187.t2k.frag # found chain 1av1A in template set T0187 3 :DPESLKKLA 1av1A 46 :LLDNWDSVT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.26291 Ang G1.O and E4.OE2 other bump:1.24579 Ang G1.O and E4.OE1 other bump:2.20742 Ang G1.C and E4.OE1 other bump:1.95763 Ang G1.O and E4.CD other bump:2.97122 Ang G1.C and E4.CD neighbor-bump: 1.77296 Ang D2.N and P3.CD neighbor-bump: 2.32564 Ang D2.CA and P3.CD neighbor-bump: 2.08535 Ang D2.C and P3.CD self-bump: 1.30113 Ang P3.N and P3.CD other bump:2.45551 Ang G1.C and P3.CD self-bump: 2.16129 Ang P3.N and P3.CG Number of specific fragments= 1 total=1213 # 1beo.3.3 read from T0187.t2k.frag # found chain 1beo in template set T0187 3 :DPESLKKLA 1beo 4 :TATQQTAAY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37504 Ang P3.CA and P3.CB Number of specific fragments= 1 total=1214 # 1irf.4.4 read from T0187.t2k.frag # found chain 1irf in template set T0187 4 :PESLKKLAI 1irf 6 :MRMRPWLEE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.49187 Ang P2.CD and E3.N neighbor-bump: 2.36739 Ang P2.CG and E3.N neighbor-bump: 2.01737 Ang G1.C and P2.CD Number of specific fragments= 1 total=1215 # 1lea.4.4 read from T0187.t2k.frag # found chain 1lea in template set T0187 4 :PESLKKLAI 1lea 5 :TARQQEVFD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79793 Ang P2.CG and L5.CD2 other bump:2.45856 Ang P2.CD and L5.CD2 other bump:2.90544 Ang P2.CD and L5.CG Number of specific fragments= 1 total=1216 # 1av1A.4.4 read from T0187.t2k.frag # found chain 1av1A in template set T0187 4 :PESLKKLAI 1av1A 47 :LDNWDSVTS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.08535 Ang G1.C and P2.CD self-bump: 1.30113 Ang P2.N and P2.CD self-bump: 2.16129 Ang P2.N and P2.CG Number of specific fragments= 1 total=1217 # 1bax.4.4 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1217 # 1am7A.4.4 read from T0187.t2k.frag # found chain 1am7A in template set T0187 4 :PESLKKLAI 1am7A 5 :NNQRKAFLD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8004 Ang K6.NZ and I10.CD1 other bump:2.80363 Ang P2.CD and L5.CD1 other bump:3.04511 Ang P2.CG and L5.CG neighbor-bump: 2.02894 Ang G1.C and P2.CD Number of specific fragments= 1 total=1218 # 1fn9A.4.4 read from T0187.t2k.frag # adding 1fn9A to template set 1fn9A:# found chain 1fn9A in template set T0187 4 :PESLKKLAI 1fn9A 5 :LPNGHQVVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1219 # 1irf.5.5 read from T0187.t2k.frag # found chain 1irf in template set T0187 5 :ESLKKLAIE 1irf 7 :RMRPWLEEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1220 # 1lea.5.5 read from T0187.t2k.frag # found chain 1lea in template set T0187 5 :ESLKKLAIE 1lea 6 :ARQQEVFDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1221 # 1bax.5.5 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1221 # 1am7A.5.5 read from T0187.t2k.frag # found chain 1am7A in template set T0187 5 :ESLKKLAIE 1am7A 6 :NQRKAFLDM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80039 Ang K5.NZ and I9.CD1 Number of specific fragments= 1 total=1222 # 1av1A.5.5 read from T0187.t2k.frag # found chain 1av1A in template set T0187 5 :ESLKKLAIE 1av1A 48 :DNWDSVTST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1223 # 1beo.5.5 read from T0187.t2k.frag # found chain 1beo in template set T0187 5 :ESLKKLAIE 1beo 6 :TQQTAAYKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1224 # 1irf.6.6 read from T0187.t2k.frag # found chain 1irf in template set T0187 6 :SLKKLAIEI 1irf 8 :MRPWLEEQI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1225 # 1lea.6.6 read from T0187.t2k.frag # found chain 1lea in template set T0187 6 :SLKKLAIEI 1lea 7 :RQQEVFDLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1226 # 1bax.6.6 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1226 # 1beo.6.6 read from T0187.t2k.frag # found chain 1beo in template set T0187 6 :SLKKLAIEI 1beo 7 :QQTAAYKTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1227 # 1am7A.6.6 read from T0187.t2k.frag # found chain 1am7A in template set T0187 6 :SLKKLAIEI 1am7A 7 :QRKAFLDML Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80039 Ang K4.NZ and I8.CD1 Number of specific fragments= 1 total=1228 # 1prgA.6.3 read from T0187.t2k.frag # adding 1prgA to template set 1prgA:# found chain 1prgA in template set T0187 6 :SLKKLAIEI 1prgA 210 :DLRALAKHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1229 # 1irf.7.7 read from T0187.t2k.frag # found chain 1irf in template set T0187 7 :LKKLAIEIV 1irf 9 :RPWLEEQIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1230 # 1lea.7.7 read from T0187.t2k.frag # found chain 1lea in template set T0187 7 :LKKLAIEIV 1lea 8 :QQEVFDLIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1231 # 1bax.7.7 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1231 # 1prgA.7.4 read from T0187.t2k.frag # found chain 1prgA in template set T0187 7 :LKKLAIEIV 1prgA 211 :LRALAKHLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1232 # 1beo.7.7 read from T0187.t2k.frag # found chain 1beo in template set T0187 7 :LKKLAIEIV 1beo 8 :QTAAYKTLV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1233 # 1fm9D.7.5 read from T0187.t2k.frag # adding 1fm9D to template set 1fm9D:# found chain 1fm9D in template set T0187 7 :LKKLAIEIV 1fm9D 211 :LRALAKHLY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1234 # 1irf.8.8 read from T0187.t2k.frag # found chain 1irf in template set T0187 8 :KKLAIEIVK 1irf 10 :PWLEEQINS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64624 Ang I6.CG2 and K10.CE Number of specific fragments= 1 total=1235 # 1lea.8.8 read from T0187.t2k.frag # found chain 1lea in template set T0187 8 :KKLAIEIVK 1lea 9 :QEVFDLIRD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1236 # 1prgA.8.5 read from T0187.t2k.frag # found chain 1prgA in template set T0187 8 :KKLAIEIVK 1prgA 212 :RALAKHLYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1237 # 1bax.8.8 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1237 # 2prgA.8.5 read from T0187.t2k.frag # adding 2prgA to template set 2prgA:# found chain 2prgA in template set T0187 8 :KKLAIEIVK 2prgA 212 :RALAKHLYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1238 # 1fm9D.8.6 read from T0187.t2k.frag # found chain 1fm9D in template set T0187 8 :KKLAIEIVK 1fm9D 212 :RALAKHLYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1239 # 1irf.9.9 read from T0187.t2k.frag # found chain 1irf in template set T0187 9 :KLAIEIVKK 1irf 11 :WLEEQINSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1240 # 1lea.9.9 read from T0187.t2k.frag # found chain 1lea in template set T0187 9 :KLAIEIVKK 1lea 10 :EVFDLIRDH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1241 # 1prgA.9.6 read from T0187.t2k.frag # found chain 1prgA in template set T0187 9 :KLAIEIVKK 1prgA 213 :ALAKHLYDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1242 # 2prgA.9.6 read from T0187.t2k.frag # found chain 2prgA in template set T0187 9 :KLAIEIVKK 2prgA 213 :ALAKHLYDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1243 # 1fm9D.9.7 read from T0187.t2k.frag # found chain 1fm9D in template set T0187 9 :KLAIEIVKK 1fm9D 213 :ALAKHLYDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1244 # 1bax.9.9 read from T0187.t2k.frag # found chain 1bax in template set Number of specific fragments= 0 total=1244 # 1irf.10.10 read from T0187.t2k.frag # found chain 1irf in template set T0187 10 :LAIEIVKKS 1irf 12 :LEEQINSNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1245 # 1gtmA.10.7 read from T0187.t2k.frag # adding 1gtmA to template set 1gtmA:# found chain 1gtmA in template set T0187 10 :LAIEIVKKS 1gtmA 8 :IVIKQLERA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1246 # 1lea.10.10 read from T0187.t2k.frag # found chain 1lea in template set T0187 10 :LAIEIVKKS 1lea 11 :VFDLIRDHI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1247 # 1prgA.10.7 read from T0187.t2k.frag # found chain 1prgA in template set T0187 10 :LAIEIVKKS 1prgA 214 :LAKHLYDSY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1248 # 1crb.10.10 read from T0187.t2k.frag # adding 1crb to template set 1crb:# found chain 1crb in template set T0187 10 :LAIEIVKKS 1crb 11 :LSNENFEEY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30375 Ang I4.CG2 and V7.CG2 Number of specific fragments= 1 total=1249 # 1lea.10.12 read from T0187.t2k.frag # found chain 1lea in template set T0187 10 :LAIEIVKKS 1lea 13 :DLIRDHISQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1250 # 1irf.11.11 read from T0187.t2k.frag # found chain 1irf in template set T0187 11 :AIEIVKKSI 1irf 13 :EEQINSNTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1251 # 1crb.11.11 read from T0187.t2k.frag # found chain 1crb in template set T0187 11 :AIEIVKKSI 1crb 12 :SNENFEEYL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30375 Ang I3.CG2 and V6.CG2 Number of specific fragments= 1 total=1252 # 1gtmA.11.8 read from T0187.t2k.frag # found chain 1gtmA in template set T0187 11 :AIEIVKKSI 1gtmA 9 :VIKQLERAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1253 # 1lea.11.11 read from T0187.t2k.frag # found chain 1lea in template set T0187 11 :AIEIVKKSI 1lea 12 :FDLIRDHIS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1254 # 1lea.11.13 read from T0187.t2k.frag # found chain 1lea in template set T0187 11 :AIEIVKKSI 1lea 14 :LIRDHISQT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1255 # 1lea.11.12 read from T0187.t2k.frag # found chain 1lea in template set T0187 11 :AIEIVKKSI 1lea 13 :DLIRDHISQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1256 # 1crb.12.12 read from T0187.t2k.frag # found chain 1crb in template set T0187 12 :IEIVKKSIE 1crb 13 :NENFEEYLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40438 Ang I2.CG2 and V5.CG2 Number of specific fragments= 1 total=1257 # 1irf.12.12 read from T0187.t2k.frag # found chain 1irf in template set T0187 12 :IEIVKKSIE 1irf 14 :EQINSNTIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1258 # 1gtmA.12.9 read from T0187.t2k.frag # found chain 1gtmA in template set T0187 12 :IEIVKKSIE 1gtmA 10 :IKQLERAAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1259 # 1lea.12.14 read from T0187.t2k.frag # found chain 1lea in template set T0187 12 :IEIVKKSIE 1lea 15 :IRDHISQTG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38595 Ang E10.CA and E10.CB Number of specific fragments= 1 total=1260 # 1jhfA.12.14 read from T0187.t2k.frag # adding 1jhfA to template set 1jhfA:# found chain 1jhfA in template set T0187 12 :IEIVKKSIE 1jhfA 15 :IRDHISQTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1261 # 2a0b.12.13 read from T0187.t2k.frag # found chain 2a0b in training set T0187 12 :IEIVKKSIE 2a0b 665 :IPMLEQYLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7673 Ang I2.CG2 and K6.NZ Number of specific fragments= 1 total=1262 # 1crb.13.13 read from T0187.t2k.frag # found chain 1crb in template set T0187 13 :EIVKKSIEA 1crb 14 :ENFEEYLRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1263 # 1gtmA.13.10 read from T0187.t2k.frag # found chain 1gtmA in template set T0187 13 :EIVKKSIEA 1gtmA 11 :KQLERAAQY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1264 # 1lea.13.15 read from T0187.t2k.frag # found chain 1lea in template set T0187 13 :EIVKKSIEA 1lea 16 :RDHISQTGM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38595 Ang E9.CA and E9.CB Number of specific fragments= 1 total=1265 # 1jhfA.13.15 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 13 :EIVKKSIEA 1jhfA 16 :RDHISQTGM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58829 Ang V4.CG1 and A10.O Number of specific fragments= 1 total=1266 # 1irf.13.13 read from T0187.t2k.frag # found chain 1irf in template set T0187 13 :EIVKKSIEA 1irf 15 :QINSNTIPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1267 # 1lea.13.14 read from T0187.t2k.frag # found chain 1lea in template set T0187 13 :EIVKKSIEA 1lea 15 :IRDHISQTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1268 # 1crb.14.14 read from T0187.t2k.frag # found chain 1crb in template set T0187 14 :IVKKSIEAV 1crb 15 :NFEEYLRAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1269 # 1lea.14.16 read from T0187.t2k.frag # found chain 1lea in template set T0187 14 :IVKKSIEAV 1lea 17 :DHISQTGMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50338 Ang K4.CE and V10.CG1 self-bump: 1.38594 Ang E8.CA and E8.CB Number of specific fragments= 1 total=1270 # 1jhfA.14.16 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 14 :IVKKSIEAV 1jhfA 17 :DHISQTGMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58829 Ang V3.CG1 and A9.O Number of specific fragments= 1 total=1271 # 1lea.14.15 read from T0187.t2k.frag # found chain 1lea in template set T0187 14 :IVKKSIEAV 1lea 16 :RDHISQTGM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54598 Ang K4.CD and V10.O other bump:2.937 Ang K4.CE and V10.CG1 Number of specific fragments= 1 total=1272 # 1jhfA.14.15 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 14 :IVKKSIEAV 1jhfA 16 :RDHISQTGM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58708 Ang E8.C and A9.CB Number of specific fragments= 1 total=1273 # 1gtmA.14.11 read from T0187.t2k.frag # found chain 1gtmA in template set T0187 14 :IVKKSIEAV 1gtmA 12 :QLERAAQYM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1274 # 1crb.15.15 read from T0187.t2k.frag # found chain 1crb in template set T0187 15 :VKKSIEAVF 1crb 16 :FEEYLRALD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1275 # 1lea.15.16 read from T0187.t2k.frag # found chain 1lea in template set T0187 15 :VKKSIEAVF 1lea 17 :DHISQTGMP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54598 Ang K3.CD and V9.O other bump:2.937 Ang K3.CE and V9.CG1 Number of specific fragments= 1 total=1276 # 1jhfA.15.16 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 15 :VKKSIEAVF 1jhfA 17 :DHISQTGMP Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.789172 Ang K3.NZ and G11.CA other bump:2.88055 Ang K3.CD and G11.CA other bump:1.99019 Ang K3.CE and G11.CA other bump:0.871181 Ang K3.NZ and G11.N other bump:3.00189 Ang K3.CD and G11.N other bump:2.03531 Ang K3.CE and G11.N other bump:1.91733 Ang K3.NZ and F10.C other bump:2.60874 Ang K3.CE and F10.C neighbor-bump: 2.58708 Ang E7.C and A8.CB Number of specific fragments= 1 total=1277 # 1lea.15.17 read from T0187.t2k.frag # found chain 1lea in template set T0187 15 :VKKSIEAVF 1lea 18 :HISQTGMPP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8943 Ang K3.CE and V9.CG2 self-bump: 1.38594 Ang E7.CA and E7.CB Number of specific fragments= 1 total=1278 # 1jhfA.15.17 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 15 :VKKSIEAVF 1jhfA 18 :HISQTGMPP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58829 Ang V2.CG1 and A8.O Number of specific fragments= 1 total=1279 # 2a0b.15.16 read from T0187.t2k.frag # found chain 2a0b in training set T0187 15 :VKKSIEAVF 2a0b 668 :LEQYLELVG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.37415 Ang V9.O and F10.CE2 neighbor-bump: 2.6216 Ang V9.C and F10.CD2 neighbor-bump: 1.4589 Ang V9.O and F10.CD2 neighbor-bump: 2.82138 Ang V9.C and F10.CG neighbor-bump: 1.9187 Ang V9.O and F10.CG Number of specific fragments= 1 total=1280 # 1lea.16.17 read from T0187.t2k.frag # found chain 1lea in template set T0187 16 :KKSIEAVFP 1lea 18 :HISQTGMPP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54598 Ang K2.CD and V8.O other bump:2.937 Ang K2.CE and V8.CG1 Number of specific fragments= 1 total=1281 # 1jhfA.16.17 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 16 :KKSIEAVFP 1jhfA 18 :HISQTGMPP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19444 Ang K2.NZ and P10.C other bump:1.89278 Ang K2.NZ and P10.CD other bump:2.81915 Ang K2.CD and P10.CD other bump:2.61099 Ang K2.CE and P10.CD other bump:2.2423 Ang K2.NZ and P10.CG other bump:2.70918 Ang K2.CD and P10.CG other bump:1.69381 Ang K2.NZ and P10.CB other bump:2.09907 Ang K2.CD and P10.CB other bump:2.16115 Ang K2.CE and P10.CB other bump:0.789177 Ang K2.NZ and P10.CA other bump:2.88054 Ang K2.CD and P10.CA other bump:1.99019 Ang K2.CE and P10.CA other bump:0.871174 Ang K2.NZ and P10.N other bump:3.00188 Ang K2.CD and P10.N other bump:2.0353 Ang K2.CE and P10.N other bump:1.91733 Ang K2.NZ and F9.C other bump:2.60874 Ang K2.CE and F9.C neighbor-bump: 2.58708 Ang E6.C and A7.CB Number of specific fragments= 1 total=1282 # 1crb.16.16 read from T0187.t2k.frag # found chain 1crb in template set T0187 16 :KKSIEAVFP 1crb 17 :EEYLRALDV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02554 Ang I5.C and P10.CD other bump:1.82314 Ang I5.O and P10.CD other bump:2.67351 Ang V8.C and P10.CD neighbor-bump: 2.45417 Ang F9.N and P10.CD other bump:3.02795 Ang I5.CG2 and P10.CG other bump:2.41362 Ang I5.O and P10.CG other bump:2.72283 Ang I5.CG2 and P10.CB Number of specific fragments= 1 total=1283 # 1lea.16.18 read from T0187.t2k.frag # found chain 1lea in template set T0187 16 :KKSIEAVFP 1lea 19 :ISQTGMPPT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38595 Ang E6.CA and E6.CB Number of specific fragments= 1 total=1284 # 1jhfA.16.18 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 16 :KKSIEAVFP 1jhfA 19 :ISQTGMPPT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99933 Ang K2.CD and E6.C other bump:3.30985 Ang K2.CD and E6.CA Number of specific fragments= 1 total=1285 # 2a0b.16.17 read from T0187.t2k.frag # found chain 2a0b in training set T0187 16 :KKSIEAVFP 2a0b 669 :EQYLELVGP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.04679 Ang V8.O and F9.CE1 neighbor-bump: 3.19761 Ang V8.C and F9.CE1 neighbor-bump: 1.00269 Ang V8.O and F9.CD1 neighbor-bump: 2.21155 Ang V8.C and F9.CD1 neighbor-bump: 1.7731 Ang V8.O and F9.CG neighbor-bump: 2.69161 Ang V8.C and F9.CG Number of specific fragments= 1 total=1286 # 1lea.17.18 read from T0187.t2k.frag # found chain 1lea in template set T0187 17 :KSIEAVFPD 1lea 19 :ISQTGMPPT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1287 # 1jhfA.17.18 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 17 :KSIEAVFPD 1jhfA 19 :ISQTGMPPT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99933 Ang K2.CD and A6.C neighbor-bump: 2.58708 Ang E5.C and A6.CB other bump:3.30985 Ang K2.CD and A6.CA Number of specific fragments= 1 total=1288 # 1crb.17.17 read from T0187.t2k.frag # found chain 1crb in template set T0187 17 :KSIEAVFPD 1crb 18 :EYLRALDVN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75864 Ang V7.C and P9.CD other bump:1.78731 Ang I4.O and P9.CD other bump:2.98121 Ang I4.C and P9.CD neighbor-bump: 2.53978 Ang F8.N and P9.CD other bump:3.08678 Ang I4.CG2 and P9.CG other bump:2.54249 Ang I4.O and P9.CG Number of specific fragments= 1 total=1289 # 2a0b.17.18 read from T0187.t2k.frag # found chain 2a0b in training set T0187 17 :KSIEAVFPD 2a0b 670 :QYLELVGPK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82176 Ang F8.CE2 and D10.CB neighbor-bump: 2.04679 Ang V7.O and F8.CE1 neighbor-bump: 3.19761 Ang V7.C and F8.CE1 neighbor-bump: 1.00269 Ang V7.O and F8.CD1 neighbor-bump: 2.21155 Ang V7.C and F8.CD1 neighbor-bump: 1.7731 Ang V7.O and F8.CG neighbor-bump: 2.69161 Ang V7.C and F8.CG Number of specific fragments= 1 total=1290 # 1rro.17.18 read from T0187.t2k.frag # found chain 1rro in training set T0187 17 :KSIEAVFPD 1rro 19 :QDPDTFEPQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.8715 Ang I4.CG2 and E5.CA neighbor-bump: 1.71455 Ang I4.CG2 and E5.N neighbor-bump: 2.4275 Ang I4.CB and E5.N self-bump: 2.35033 Ang I4.CG2 and I4.C self-bump: 1.34307 Ang I4.CA and I4.CB Number of specific fragments= 1 total=1291 # 1lea.17.19 read from T0187.t2k.frag # found chain 1lea in template set T0187 17 :KSIEAVFPD 1lea 20 :SQTGMPPTR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38595 Ang E5.CA and E5.CB Number of specific fragments= 1 total=1292 # 1crb.18.18 read from T0187.t2k.frag # found chain 1crb in template set T0187 18 :SIEAVFPDR 1crb 19 :YLRALDVNV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75864 Ang V6.C and P8.CD other bump:1.78731 Ang I3.O and P8.CD other bump:2.98121 Ang I3.C and P8.CD neighbor-bump: 2.53978 Ang F7.N and P8.CD other bump:3.08678 Ang I3.CG2 and P8.CG other bump:2.54249 Ang I3.O and P8.CG Number of specific fragments= 1 total=1293 # 1rro.18.19 read from T0187.t2k.frag # found chain 1rro in training set T0187 18 :SIEAVFPDR 1rro 20 :DPDTFEPQK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16983 Ang F7.CG and R10.NH2 other bump:1.47351 Ang F7.CD2 and R10.NH2 other bump:2.09397 Ang F7.CE2 and R10.NH2 other bump:3.10799 Ang F7.CG and R10.CZ other bump:2.6805 Ang F7.CD2 and R10.CZ neighbor-bump: 2.8715 Ang I3.CG2 and E4.CA neighbor-bump: 2.4275 Ang I3.CB and E4.N neighbor-bump: 1.71455 Ang I3.CG2 and E4.N self-bump: 2.35033 Ang I3.CG2 and I3.C self-bump: 1.34307 Ang I3.CA and I3.CB Number of specific fragments= 1 total=1294 # 1lea.18.19 read from T0187.t2k.frag # found chain 1lea in template set T0187 18 :SIEAVFPDR 1lea 20 :SQTGMPPTR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1295 # 1jhfA.18.19 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 18 :SIEAVFPDR 1jhfA 20 :SQTGMPPTR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58708 Ang E4.C and A5.CB Number of specific fragments= 1 total=1296 # 2a0b.18.19 read from T0187.t2k.frag # found chain 2a0b in training set T0187 18 :SIEAVFPDR 2a0b 671 :YLELVGPKL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.04761 Ang F7.CD2 and D9.CB other bump:2.64566 Ang F7.CE2 and D9.CB neighbor-bump: 2.04679 Ang V6.O and F7.CE1 neighbor-bump: 3.19761 Ang V6.C and F7.CE1 neighbor-bump: 1.00269 Ang V6.O and F7.CD1 neighbor-bump: 2.21155 Ang V6.C and F7.CD1 neighbor-bump: 1.7731 Ang V6.O and F7.CG neighbor-bump: 2.69161 Ang V6.C and F7.CG Number of specific fragments= 1 total=1297 # 1ci4A.18.19 read from T0187.t2k.frag # adding 1ci4A to template set 1ci4A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1ci4A in template set T0187 18 :SIEAVFPDR 1ci4A 20 :VGSLAGIGE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20222 Ang A5.O and P8.CD other bump:2.56371 Ang V6.C and P8.CD other bump:2.88126 Ang A5.C and P8.CD other bump:2.20914 Ang V6.O and P8.CD Number of specific fragments= 1 total=1298 # 1rro.19.20 read from T0187.t2k.frag # found chain 1rro in training set T0187 19 :IEAVFPDRA 1rro 21 :PDTFEPQKF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16983 Ang F6.CG and R9.NH2 other bump:1.4735 Ang F6.CD2 and R9.NH2 other bump:2.09397 Ang F6.CE2 and R9.NH2 other bump:3.10798 Ang F6.CG and R9.CZ other bump:2.68049 Ang F6.CD2 and R9.CZ neighbor-bump: 2.8715 Ang I2.CG2 and E3.CA neighbor-bump: 1.71455 Ang I2.CG2 and E3.N neighbor-bump: 2.4275 Ang I2.CB and E3.N self-bump: 2.35034 Ang I2.CG2 and I2.C self-bump: 1.34307 Ang I2.CA and I2.CB Number of specific fragments= 1 total=1299 # 1crb.19.19 read from T0187.t2k.frag # found chain 1crb in template set T0187 19 :IEAVFPDRA 1crb 20 :LRALDVNVA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75864 Ang V5.C and P7.CD other bump:1.78731 Ang I2.O and P7.CD other bump:2.98121 Ang I2.C and P7.CD neighbor-bump: 2.53978 Ang F6.N and P7.CD other bump:3.08678 Ang I2.CG2 and P7.CG other bump:2.54249 Ang I2.O and P7.CG Number of specific fragments= 1 total=1300 # 1lea.19.20 read from T0187.t2k.frag # found chain 1lea in template set T0187 19 :IEAVFPDRA 1lea 21 :QTGMPPTRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1301 # 1jhfA.19.20 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 19 :IEAVFPDRA 1jhfA 21 :QTGMPPTRA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.58709 Ang E3.C and A4.CB Number of specific fragments= 1 total=1302 # 1ci4A.19.20 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 19 :IEAVFPDRA 1ci4A 21 :GSLAGIGEV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20222 Ang A4.O and P7.CD other bump:2.56371 Ang V5.C and P7.CD other bump:2.88126 Ang A4.C and P7.CD other bump:2.20914 Ang V5.O and P7.CD Number of specific fragments= 1 total=1303 # 2a0b.19.20 read from T0187.t2k.frag # found chain 2a0b in training set T0187 19 :IEAVFPDRA 2a0b 672 :LELVGPKLI Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.39625 Ang V5.CB and R9.NH1 other bump:1.54078 Ang V5.CG1 and R9.NH1 other bump:2.23121 Ang V5.CG2 and R9.NH1 other bump:2.514 Ang V5.CB and R9.CZ other bump:2.70454 Ang V5.CG1 and R9.CZ other bump:3.04761 Ang F6.CD2 and D8.CB other bump:2.64566 Ang F6.CE2 and D8.CB neighbor-bump: 2.04679 Ang V5.O and F6.CE1 neighbor-bump: 3.19761 Ang V5.C and F6.CE1 neighbor-bump: 1.00269 Ang V5.O and F6.CD1 neighbor-bump: 2.21155 Ang V5.C and F6.CD1 neighbor-bump: 1.7731 Ang V5.O and F6.CG neighbor-bump: 2.69161 Ang V5.C and F6.CG Number of specific fragments= 1 total=1304 # 1rro.20.21 read from T0187.t2k.frag # found chain 1rro in training set T0187 20 :EAVFPDRAV 1rro 22 :DTFEPQKFF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16983 Ang F5.CG and R8.NH2 other bump:1.4735 Ang F5.CD2 and R8.NH2 other bump:2.09397 Ang F5.CE2 and R8.NH2 other bump:3.10798 Ang F5.CG and R8.CZ other bump:2.68049 Ang F5.CD2 and R8.CZ Number of specific fragments= 1 total=1305 # 1ci4A.20.21 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 20 :EAVFPDRAV 1ci4A 22 :SLAGIGEVL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20222 Ang A3.O and P6.CD other bump:2.56371 Ang V4.C and P6.CD other bump:2.88126 Ang A3.C and P6.CD other bump:2.20914 Ang V4.O and P6.CD Number of specific fragments= 1 total=1306 # 1crb.20.20 read from T0187.t2k.frag # found chain 1crb in template set T0187 20 :EAVFPDRAV 1crb 21 :RALDVNVAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90586 Ang D7.OD1 and V10.CG2 other bump:2.98121 Ang G1.C and P6.CD other bump:2.75864 Ang V4.C and P6.CD neighbor-bump: 2.53978 Ang F5.N and P6.CD other bump:1.78731 Ang G1.O and P6.CD other bump:2.54249 Ang G1.O and P6.CG Number of specific fragments= 1 total=1307 # 1lea.20.21 read from T0187.t2k.frag # found chain 1lea in template set T0187 20 :EAVFPDRAV 1lea 22 :TGMPPTRAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1308 # 1qckA.20.21 read from T0187.t2k.frag # adding 1qckA to template set 1qckA:# found chain 1qckA in template set T0187 20 :EAVFPDRAV 1qckA 22 :SLAGIGEVL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01954 Ang D7.OD2 and V10.CG2 other bump:2.44218 Ang A3.O and P6.CD other bump:3.07109 Ang A3.C and P6.CD other bump:2.65993 Ang V4.C and P6.CD neighbor-bump: 2.52805 Ang V4.O and F5.CD1 self-bump: 1.38791 Ang F5.CA and F5.CB Number of specific fragments= 1 total=1309 # 2ezxA.20.21 read from T0187.t2k.frag # adding 2ezxA to template set 2ezxA:# found chain 2ezxA in template set T0187 20 :EAVFPDRAV 2ezxA 22 :SLAGIGEVL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97032 Ang D7.OD2 and V10.CG2 other bump:2.29858 Ang A3.O and P6.CD other bump:3.03359 Ang A3.C and P6.CD other bump:2.74391 Ang V4.C and P6.CD neighbor-bump: 2.46172 Ang V4.O and F5.CD1 self-bump: 1.3917 Ang F5.CA and F5.CB Number of specific fragments= 1 total=1310 # 1rro.21.22 read from T0187.t2k.frag # found chain 1rro in training set T0187 21 :AVFPDRAVK 1rro 23 :TFEPQKFFQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16983 Ang F4.CG and R7.NH2 other bump:1.4735 Ang F4.CD2 and R7.NH2 other bump:2.09397 Ang F4.CE2 and R7.NH2 other bump:3.10798 Ang F4.CG and R7.CZ other bump:2.68049 Ang F4.CD2 and R7.CZ Number of specific fragments= 1 total=1311 # 1ci4A.21.22 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 21 :AVFPDRAVK 1ci4A 23 :LAGIGEVLG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20222 Ang A2.O and P5.CD other bump:2.20914 Ang V3.O and P5.CD other bump:2.56371 Ang V3.C and P5.CD other bump:2.88126 Ang A2.C and P5.CD Number of specific fragments= 1 total=1312 # 1qckA.21.22 read from T0187.t2k.frag # found chain 1qckA in template set T0187 21 :AVFPDRAVK 1qckA 23 :LAGIGEVLG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01954 Ang D6.OD2 and V9.CG2 other bump:3.07109 Ang A2.C and P5.CD other bump:2.44218 Ang A2.O and P5.CD other bump:2.65993 Ang V3.C and P5.CD neighbor-bump: 2.52805 Ang V3.O and F4.CD1 self-bump: 1.38791 Ang F4.CA and F4.CB Number of specific fragments= 1 total=1313 # 2ezxA.21.22 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 21 :AVFPDRAVK 2ezxA 23 :LAGIGEVLG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97031 Ang D6.OD2 and V9.CG2 other bump:2.29858 Ang A2.O and P5.CD other bump:3.03359 Ang A2.C and P5.CD other bump:2.74391 Ang V3.C and P5.CD neighbor-bump: 2.46172 Ang V3.O and F4.CD1 self-bump: 1.3917 Ang F4.CA and F4.CB Number of specific fragments= 1 total=1314 # 1crb.21.21 read from T0187.t2k.frag # found chain 1crb in template set T0187 21 :AVFPDRAVK 1crb 22 :ALDVNVALR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90586 Ang D6.OD1 and V9.CG2 other bump:2.75864 Ang V3.C and P5.CD neighbor-bump: 2.53978 Ang F4.N and P5.CD Number of specific fragments= 1 total=1315 # 1jhfA.21.22 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 21 :AVFPDRAVK 1jhfA 23 :GMPPTRAEI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4521 Ang D6.OD2 and V9.CG2 neighbor-bump: 2.58709 Ang G1.C and A2.CB Number of specific fragments= 1 total=1316 # 1ci4A.22.23 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 22 :VFPDRAVKE 1ci4A 24 :AGIGEVLGK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19737 Ang P4.O and K9.CE other bump:2.20222 Ang G1.O and P4.CD other bump:2.56371 Ang V2.C and P4.CD other bump:2.20914 Ang V2.O and P4.CD other bump:2.88126 Ang G1.C and P4.CD neighbor-bump: 2.90996 Ang V2.CG1 and F3.CA neighbor-bump: 2.43522 Ang V2.CB and F3.N neighbor-bump: 1.70712 Ang V2.CG1 and F3.N self-bump: 2.19922 Ang V2.CB and V2.C self-bump: 2.31282 Ang V2.CG1 and V2.C self-bump: 1.27045 Ang V2.CA and V2.CB Number of specific fragments= 1 total=1317 # 1rro.22.23 read from T0187.t2k.frag # found chain 1rro in training set T0187 22 :VFPDRAVKE 1rro 24 :FEPQKFFQT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16983 Ang F3.CG and R6.NH2 other bump:1.4735 Ang F3.CD2 and R6.NH2 other bump:2.09397 Ang F3.CE2 and R6.NH2 other bump:3.10798 Ang F3.CG and R6.CZ other bump:2.68049 Ang F3.CD2 and R6.CZ Number of specific fragments= 1 total=1318 # 1qckA.22.23 read from T0187.t2k.frag # found chain 1qckA in template set T0187 22 :VFPDRAVKE 1qckA 24 :AGIGEVLGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01954 Ang D5.OD2 and V8.CG2 other bump:2.44218 Ang G1.O and P4.CD other bump:3.07109 Ang G1.C and P4.CD other bump:2.65993 Ang V2.C and P4.CD neighbor-bump: 2.52806 Ang V2.O and F3.CD1 self-bump: 1.3879 Ang F3.CA and F3.CB Number of specific fragments= 1 total=1319 # 2ezxA.22.23 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 22 :VFPDRAVKE 2ezxA 24 :AGIGEVLGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97031 Ang D5.OD2 and V8.CG2 other bump:2.29858 Ang G1.O and P4.CD other bump:3.03359 Ang G1.C and P4.CD other bump:2.74391 Ang V2.C and P4.CD neighbor-bump: 2.4617 Ang V2.O and F3.CD1 self-bump: 1.3917 Ang F3.CA and F3.CB Number of specific fragments= 1 total=1320 # 1jhfA.22.24 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 22 :VFPDRAVKE 1jhfA 25 :PPTRAEIAQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.6906 Ang F3.CZ and V8.CG1 other bump:2.082 Ang F3.CD1 and V8.CG1 other bump:1.68786 Ang F3.CE1 and V8.CG1 other bump:2.93092 Ang P4.CG and A7.CB Number of specific fragments= 1 total=1321 # 1lea.22.24 read from T0187.t2k.frag # found chain 1lea in template set T0187 22 :VFPDRAVKE 1lea 25 :PPTRAEIAQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.69255 Ang F3.CE1 and V8.CG1 other bump:2.5488 Ang F3.CZ and V8.CG1 other bump:2.42608 Ang F3.CD1 and V8.CG1 Number of specific fragments= 1 total=1322 # 1ci4A.23.24 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 23 :FPDRAVKET 1ci4A 25 :GIGEVLGKK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19737 Ang P3.O and K8.CE other bump:2.20914 Ang G1.O and P3.CD other bump:2.56371 Ang G1.C and P3.CD Number of specific fragments= 1 total=1323 # 2ezxA.23.24 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 23 :FPDRAVKET 2ezxA 25 :GIGEVLGKK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97031 Ang D4.OD2 and V7.CG2 other bump:2.74391 Ang G1.C and P3.CD neighbor-bump: 2.46169 Ang G1.O and F2.CD1 self-bump: 1.3917 Ang F2.CA and F2.CB Number of specific fragments= 1 total=1324 # 1qckA.23.24 read from T0187.t2k.frag # found chain 1qckA in template set T0187 23 :FPDRAVKET 1qckA 25 :GIGEVLGKK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01954 Ang D4.OD2 and V7.CG2 other bump:2.65993 Ang G1.C and P3.CD neighbor-bump: 2.52803 Ang G1.O and F2.CD1 self-bump: 1.38791 Ang F2.CA and F2.CB Number of specific fragments= 1 total=1325 # 1rro.23.24 read from T0187.t2k.frag # found chain 1rro in training set T0187 23 :FPDRAVKET 1rro 25 :EPQKFFQTS Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.58486 Ang F2.CG and R5.NH2 other bump:1.81366 Ang F2.CD1 and R5.NH2 other bump:1.97599 Ang F2.CE1 and R5.NH2 other bump:1.478 Ang F2.CD2 and R5.NH2 other bump:1.66127 Ang F2.CE2 and R5.NH2 other bump:1.91163 Ang F2.CZ and R5.NH2 other bump:2.31953 Ang F2.CG and R5.CZ other bump:2.21121 Ang F2.CD2 and R5.CZ other bump:2.65237 Ang F2.CE2 and R5.CZ other bump:3.11248 Ang F2.CZ and R5.CZ other bump:2.73827 Ang F2.CG and R5.NE other bump:2.34932 Ang F2.CD2 and R5.NE Number of specific fragments= 1 total=1326 # 1jhfA.23.25 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 23 :FPDRAVKET 1jhfA 26 :PTRAEIAQR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.082 Ang F2.CD1 and V7.CG1 other bump:1.68786 Ang F2.CE1 and V7.CG1 other bump:2.6906 Ang F2.CZ and V7.CG1 other bump:2.93092 Ang P3.CG and A6.CB Number of specific fragments= 1 total=1327 # 1lea.23.25 read from T0187.t2k.frag # found chain 1lea in template set T0187 23 :FPDRAVKET 1lea 26 :PTRAEIAQR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42608 Ang F2.CD1 and V7.CG1 other bump:1.69255 Ang F2.CE1 and V7.CG1 other bump:2.5488 Ang F2.CZ and V7.CG1 Number of specific fragments= 1 total=1328 # 1ci4A.24.25 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 24 :PDRAVKETL 1ci4A 26 :IGEVLGKKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19737 Ang P2.O and K7.CE Number of specific fragments= 1 total=1329 # 2ezxA.24.25 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 24 :PDRAVKETL 2ezxA 26 :IGEVLGKKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97032 Ang D3.OD2 and V6.CG2 Number of specific fragments= 1 total=1330 # 1qckA.24.25 read from T0187.t2k.frag # found chain 1qckA in template set T0187 24 :PDRAVKETL 1qckA 26 :IGEVLGKKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01954 Ang D3.OD2 and V6.CG2 Number of specific fragments= 1 total=1331 # 1rro.24.25 read from T0187.t2k.frag # found chain 1rro in training set T0187 24 :PDRAVKETL 1rro 26 :PQKFFQTSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1332 # 1jhfA.24.26 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 24 :PDRAVKETL 1jhfA 27 :TRAEIAQRL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93092 Ang P2.CG and A5.CB Number of specific fragments= 1 total=1333 # 1lea.24.26 read from T0187.t2k.frag # found chain 1lea in template set T0187 24 :PDRAVKETL 1lea 27 :TRAEIAQRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1334 # 1ci4A.25.26 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 25 :DRAVKETLP 1ci4A 27 :GEVLGKKLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19737 Ang G1.O and K6.CE Number of specific fragments= 1 total=1335 # 2ezxA.25.26 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 25 :DRAVKETLP 2ezxA 27 :GEVLGKKLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97031 Ang D2.OD2 and V5.CG2 Number of specific fragments= 1 total=1336 # 1qckA.25.26 read from T0187.t2k.frag # found chain 1qckA in template set T0187 25 :DRAVKETLP 1qckA 27 :GEVLGKKLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01953 Ang D2.OD2 and V5.CG2 Number of specific fragments= 1 total=1337 # 1jhfA.25.27 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 25 :DRAVKETLP 1jhfA 28 :RAEIAQRLG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.16977 Ang P10.CA and P10.CD neighbor-bump: 2.12606 Ang L9.O and P10.CD neighbor-bump: 1.63296 Ang L9.C and P10.CD Number of specific fragments= 1 total=1338 # 1lea.25.27 read from T0187.t2k.frag # found chain 1lea in template set T0187 25 :DRAVKETLP 1lea 28 :RAEIAQRLG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.46947 Ang L9.O and P10.CD neighbor-bump: 1.09241 Ang L9.C and P10.CD self-bump: 2.24503 Ang P10.CA and P10.CD neighbor-bump: 2.29207 Ang L9.CA and P10.CD neighbor-bump: 2.53748 Ang L9.C and P10.CG Number of specific fragments= 1 total=1339 # 1rro.25.26 read from T0187.t2k.frag # found chain 1rro in training set T0187 25 :DRAVKETLP 1rro 27 :QKFFQTSGL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.40447 Ang L9.N and P10.CD other bump:3.01767 Ang T8.CB and P10.CD other bump:2.17146 Ang T8.OG1 and P10.CD other bump:2.61228 Ang T8.C and P10.CD other bump:3.17092 Ang T8.CA and P10.CD other bump:2.27451 Ang T8.OG1 and P10.CG Number of specific fragments= 1 total=1340 # 1ci4A.26.27 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 26 :RAVKETLPK 1ci4A 28 :EVLGKKLEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1341 # 2ezxA.26.27 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 26 :RAVKETLPK 2ezxA 28 :EVLGKKLEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1342 # 1qckA.26.27 read from T0187.t2k.frag # found chain 1qckA in template set T0187 26 :RAVKETLPK 1qckA 28 :EVLGKKLEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1343 # 1jhfA.26.28 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 26 :RAVKETLPK 1jhfA 29 :AEIAQRLGF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.16978 Ang P9.CA and P9.CD neighbor-bump: 2.12607 Ang L8.O and P9.CD neighbor-bump: 1.63297 Ang L8.C and P9.CD Number of specific fragments= 1 total=1344 # 1lea.26.28 read from T0187.t2k.frag # found chain 1lea in template set T0187 26 :RAVKETLPK 1lea 29 :AEIAQRLGF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.46947 Ang L8.O and P9.CD neighbor-bump: 1.0924 Ang L8.C and P9.CD self-bump: 2.24503 Ang P9.CA and P9.CD neighbor-bump: 2.29207 Ang L8.CA and P9.CD neighbor-bump: 2.53748 Ang L8.C and P9.CG Number of specific fragments= 1 total=1345 # 1mbe.26.26 read from T0187.t2k.frag # adding 1mbe to template set 1mbe:# found chain 1mbe in template set T0187 26 :RAVKETLPK 1mbe 64 :KVIANYLPN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.74191 Ang R2.NH1 and K5.NZ Number of specific fragments= 1 total=1346 # 1ci4A.27.28 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 27 :AVKETLPKL 1ci4A 29 :VLGKKLEER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1347 # 1qckA.27.28 read from T0187.t2k.frag # found chain 1qckA in template set T0187 27 :AVKETLPKL 1qckA 29 :VLGKKLEER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1348 # 2ezxA.27.28 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 27 :AVKETLPKL 2ezxA 29 :VLGKKLEER Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1349 # 1lea.27.29 read from T0187.t2k.frag # found chain 1lea in template set T0187 27 :AVKETLPKL 1lea 30 :EIAQRLGFR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.29207 Ang L7.CA and P8.CD neighbor-bump: 1.46947 Ang L7.O and P8.CD neighbor-bump: 1.0924 Ang L7.C and P8.CD self-bump: 2.24503 Ang P8.CA and P8.CD neighbor-bump: 2.53748 Ang L7.C and P8.CG Number of specific fragments= 1 total=1350 # 1jhfA.27.29 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 27 :AVKETLPKL 1jhfA 30 :EIAQRLGFR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.24762 Ang K4.CD and G11.CA self-bump: 2.16978 Ang P8.CA and P8.CD neighbor-bump: 2.12607 Ang L7.O and P8.CD neighbor-bump: 1.63297 Ang L7.C and P8.CD Number of specific fragments= 1 total=1351 # 1mbe.27.27 read from T0187.t2k.frag # found chain 1mbe in template set T0187 27 :AVKETLPKL 1mbe 65 :VIANYLPNR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.27229 Ang K4.CD and G11.CA Number of specific fragments= 1 total=1352 # 1ci4A.28.29 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 28 :VKETLPKLN 1ci4A 30 :LGKKLEERG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1353 # 2ezxA.28.29 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 28 :VKETLPKLN 2ezxA 30 :LGKKLEERG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1354 # 1qckA.28.29 read from T0187.t2k.frag # found chain 1qckA in template set T0187 28 :VKETLPKLN 1qckA 30 :LGKKLEERG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1355 # 1lea.28.30 read from T0187.t2k.frag # found chain 1lea in template set T0187 28 :VKETLPKLN 1lea 31 :IAQRLGFRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11609 Ang K3.CD and G11.CA other bump:1.79188 Ang K3.CE and G11.CA other bump:2.11912 Ang K3.NZ and G11.CA other bump:3.03273 Ang K3.CG and G11.CA neighbor-bump: 1.46947 Ang L6.O and P7.CD neighbor-bump: 1.0924 Ang L6.C and P7.CD self-bump: 2.24503 Ang P7.CA and P7.CD neighbor-bump: 2.29207 Ang L6.CA and P7.CD neighbor-bump: 2.53748 Ang L6.C and P7.CG Number of specific fragments= 1 total=1356 # 1jhfA.28.30 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 28 :VKETLPKLN 1jhfA 31 :IAQRLGFRS Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17296 Ang K3.CG and G11.CA other bump:1.84625 Ang K3.CD and G11.CA other bump:1.41286 Ang K3.CE and G11.CA other bump:1.39825 Ang K3.NZ and G11.CA other bump:1.84453 Ang K3.CD and G11.N other bump:2.05288 Ang K3.CE and G11.N other bump:1.57926 Ang K3.NZ and G11.N other bump:3.24143 Ang K3.CG and N10.C other bump:1.94842 Ang K3.CD and N10.C other bump:2.21764 Ang K3.CE and N10.C other bump:2.04423 Ang K3.NZ and N10.C other bump:1.96863 Ang K3.CD and N10.O other bump:1.86042 Ang K3.CE and N10.O other bump:2.25528 Ang K3.NZ and N10.O other bump:3.24762 Ang K3.CD and N10.CA neighbor-bump: 2.12607 Ang L6.O and P7.CD neighbor-bump: 1.63297 Ang L6.C and P7.CD self-bump: 2.16978 Ang P7.CA and P7.CD Number of specific fragments= 1 total=1357 # 1jj2N.28.28 read from T0187.t2k.frag # adding 1jj2N to template set 1jj2N:# found chain 1jj2N in template set T0187 28 :VKETLPKLN 1jj2N 29 :VAERLEKPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1358 # 1ci4A.29.30 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 29 :KETLPKLNL 1ci4A 31 :GKKLEERGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1359 # 2ezxA.29.30 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 29 :KETLPKLNL 2ezxA 31 :GKKLEERGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1360 # 1qckA.29.30 read from T0187.t2k.frag # found chain 1qckA in template set T0187 29 :KETLPKLNL 1qckA 31 :GKKLEERGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1361 # 1jj2N.29.29 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 29 :KETLPKLNL 1jj2N 30 :AERLEKPRR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1362 # 1lea.29.31 read from T0187.t2k.frag # found chain 1lea in template set T0187 29 :KETLPKLNL 1lea 32 :AQRLGFRSP Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18277 Ang K2.CB and L10.CD2 other bump:1.88816 Ang K2.CG and L10.CD2 other bump:1.05821 Ang K2.CD and L10.CD2 other bump:2.42762 Ang K2.CE and L10.CD2 other bump:2.93262 Ang K2.CD and L10.CD1 other bump:3.01586 Ang K2.CG and L10.CG other bump:1.5596 Ang K2.CD and L10.CG other bump:1.96693 Ang K2.CE and L10.CG other bump:2.41077 Ang K2.NZ and L10.CG other bump:2.45799 Ang K2.CD and L10.CB other bump:2.02929 Ang K2.CE and L10.CB other bump:2.699 Ang K2.NZ and L10.CB other bump:2.66353 Ang K2.CD and L10.CA other bump:1.64932 Ang K2.CE and L10.CA other bump:2.71498 Ang K2.NZ and L10.CA other bump:2.87053 Ang K2.CD and L10.N other bump:1.36385 Ang K2.CE and L10.N other bump:1.76696 Ang K2.NZ and L10.N other bump:2.48519 Ang K2.CE and N9.C other bump:2.7599 Ang K2.NZ and N9.C neighbor-bump: 1.46947 Ang L5.O and P6.CD neighbor-bump: 1.0924 Ang L5.C and P6.CD self-bump: 2.24503 Ang P6.CA and P6.CD neighbor-bump: 2.29207 Ang L5.CA and P6.CD neighbor-bump: 2.53748 Ang L5.C and P6.CG Number of specific fragments= 1 total=1363 # 1jhfA.29.31 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 29 :KETLPKLNL 1jhfA 32 :AQRLGFRSP Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49403 Ang K2.CE and G11.N other bump:1.70649 Ang K2.NZ and G11.N other bump:1.45401 Ang K2.CE and L10.C other bump:0.959103 Ang K2.NZ and L10.C other bump:2.85191 Ang K2.CD and L10.C other bump:1.92348 Ang K2.CE and L10.O other bump:2.06431 Ang K2.NZ and L10.O other bump:2.80526 Ang K2.CE and L10.CB other bump:1.76092 Ang K2.NZ and L10.CB other bump:3.10231 Ang K2.CD and L10.CB other bump:1.30056 Ang K2.CE and L10.CA other bump:0.799677 Ang K2.NZ and L10.CA other bump:3.18596 Ang K2.CG and L10.CA other bump:1.82141 Ang K2.CD and L10.CA other bump:2.08918 Ang K2.CE and L10.N other bump:1.75251 Ang K2.NZ and L10.N other bump:1.82861 Ang K2.CD and L10.N other bump:2.36402 Ang K2.CE and N9.C other bump:2.63517 Ang K2.NZ and N9.C other bump:3.16184 Ang K2.CG and N9.C other bump:1.99016 Ang K2.CD and N9.C other bump:2.06192 Ang K2.CE and N9.O other bump:2.05591 Ang K2.CD and N9.O other bump:3.27486 Ang K2.CD and N9.CA neighbor-bump: 2.12607 Ang L5.O and P6.CD neighbor-bump: 1.63297 Ang L5.C and P6.CD self-bump: 2.16978 Ang P6.CA and P6.CD Number of specific fragments= 1 total=1364 # 1ci4A.30.31 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 30 :ETLPKLNLD 1ci4A 32 :KKLEERGFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1365 # 2ezxA.30.31 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 30 :ETLPKLNLD 2ezxA 32 :KKLEERGFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1366 # 1qckA.30.31 read from T0187.t2k.frag # found chain 1qckA in template set T0187 30 :ETLPKLNLD 1qckA 32 :KKLEERGFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1367 # 1jj2N.30.30 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 30 :ETLPKLNLD 1jj2N 31 :ERLEKPRRT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1368 # 1mgn.30.31 read from T0187.t2k.frag # adding 1mgn to template set 1mgn:# found chain 1mgn in template set T0187 30 :ETLPKLNLD 1mgn 31 :RLFKSHPET Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.76203 Ang E2.CD and K6.NZ other bump:1.87007 Ang E2.OE2 and K6.NZ Number of specific fragments= 1 total=1369 # 1lea.30.32 read from T0187.t2k.frag # found chain 1lea in template set T0187 30 :ETLPKLNLD 1lea 33 :QRLGFRSPN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.46947 Ang L4.O and P5.CD neighbor-bump: 1.0924 Ang L4.C and P5.CD self-bump: 2.24503 Ang P5.CA and P5.CD neighbor-bump: 2.29207 Ang L4.CA and P5.CD neighbor-bump: 2.53748 Ang L4.C and P5.CG Number of specific fragments= 1 total=1370 # 1ci4A.31.32 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 31 :TLPKLNLDR 1ci4A 33 :KLEERGFDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1371 # 1jj2N.31.31 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 31 :TLPKLNLDR 1jj2N 32 :RLEKPRRTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1372 # 1qckA.31.32 read from T0187.t2k.frag # found chain 1qckA in template set T0187 31 :TLPKLNLDR 1qckA 33 :KLEERGFDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1373 # 2ezxA.31.32 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 31 :TLPKLNLDR 2ezxA 33 :KLEERGFDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1374 # 1khhA.31.38 read from T0187.t2k.frag # adding 1khhA to template set 1khhA:# found chain 1khhA in template set T0187 31 :TLPKLNLDR 1khhA 76 :RVQQAPIKE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45302 Ang L3.O and L8.CD2 other bump:2.779 Ang L3.CD1 and L8.CD2 other bump:3.03263 Ang L3.C and L8.CD2 other bump:2.552 Ang L3.CG and L8.CD2 Number of specific fragments= 1 total=1375 # 1mgn.31.32 read from T0187.t2k.frag # found chain 1mgn in template set T0187 31 :TLPKLNLDR 1mgn 32 :LFKSHPETL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1376 # 1jj2N.32.32 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 32 :LPKLNLDRV 1jj2N 33 :LEKPRRTHA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1377 # 1ci4A.32.33 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 32 :LPKLNLDRV 1ci4A 34 :LEERGFDKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1378 # 1khhA.32.39 read from T0187.t2k.frag # found chain 1khhA in template set T0187 32 :LPKLNLDRV 1khhA 77 :VQQAPIKEH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45302 Ang L2.O and L7.CD2 other bump:3.03263 Ang L2.C and L7.CD2 other bump:2.552 Ang L2.CG and L7.CD2 other bump:2.77901 Ang L2.CD1 and L7.CD2 Number of specific fragments= 1 total=1379 # 1qckA.32.33 read from T0187.t2k.frag # found chain 1qckA in template set T0187 32 :LPKLNLDRV 1qckA 34 :LEERGFDKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1380 # 2ezxA.32.33 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 32 :LPKLNLDRV 2ezxA 34 :LEERGFDKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1381 # 1jj2N.32.33 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 32 :LPKLNLDRV 1jj2N 34 :EKPRRTHAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51978 Ang K4.CB and N6.OD1 Number of specific fragments= 1 total=1382 # 1jj2N.33.33 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 33 :PKLNLDRVI 1jj2N 34 :EKPRRTHAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1383 # 1khhA.33.40 read from T0187.t2k.frag # found chain 1khhA in template set T0187 33 :PKLNLDRVI 1khhA 78 :QQAPIKEHW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45302 Ang G1.O and L6.CD2 other bump:3.03263 Ang G1.C and L6.CD2 Number of specific fragments= 1 total=1384 # 1ci4A.33.34 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 33 :PKLNLDRVI 1ci4A 35 :EERGFDKAY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.71887 Ang R8.NH1 and I10.CD1 other bump:2.6166 Ang R8.CZ and I10.CD1 other bump:2.39182 Ang R8.NH1 and I10.CG1 other bump:3.02717 Ang R8.CZ and I10.CG1 Number of specific fragments= 1 total=1385 # 2ezxA.33.34 read from T0187.t2k.frag # found chain 2ezxA in template set T0187 33 :PKLNLDRVI 2ezxA 35 :EERGFDKAY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04546 Ang R8.NH1 and I10.CD1 other bump:2.60495 Ang R8.NH1 and I10.CG1 Number of specific fragments= 1 total=1386 # 1qckA.33.34 read from T0187.t2k.frag # found chain 1qckA in template set T0187 33 :PKLNLDRVI 1qckA 35 :EERGFDKAY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.94483 Ang R8.NH1 and I10.CD1 other bump:2.50196 Ang R8.NH1 and I10.CG1 Number of specific fragments= 1 total=1387 # 3kinB.33.36 read from T0187.t2k.frag # adding 3kinB to template set 3kinB:# found chain 3kinB in template set T0187 33 :PKLNLDRVI 3kinB 292 :LGGNCRTTI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30354 Ang G1.C and R8.CD other bump:1.71176 Ang G1.O and R8.CD other bump:3.23504 Ang G1.C and R8.CG Number of specific fragments= 1 total=1388 # 1khhA.34.41 read from T0187.t2k.frag # found chain 1khhA in template set T0187 34 :KLNLDRVIL 1khhA 79 :QAPIKEHWI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1389 # 3kinB.34.37 read from T0187.t2k.frag # found chain 3kinB in template set T0187 34 :KLNLDRVIL 3kinB 293 :GGNCRTTIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1390 # 1jj2N.34.34 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 34 :KLNLDRVIL 1jj2N 35 :KPRRTHAEV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93213 Ang V8.CG1 and L10.CG Number of specific fragments= 1 total=1391 # 1jeoA.34.36 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 34 :KLNLDRVIL 1jeoA 37 :IIKAKKIFI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3733 Ang D6.CA and D6.CB other bump:2.51993 Ang G1.O and L5.CG Number of specific fragments= 1 total=1392 # 1ci4A.34.35 read from T0187.t2k.frag # found chain 1ci4A in template set T0187 34 :KLNLDRVIL 1ci4A 36 :ERGFDKAYV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45459 Ang D6.OD1 and L10.CD1 other bump:1.71888 Ang R7.NH1 and I9.CD1 other bump:2.6166 Ang R7.CZ and I9.CD1 other bump:2.39182 Ang R7.NH1 and I9.CG1 other bump:3.02718 Ang R7.CZ and I9.CG1 Number of specific fragments= 1 total=1393 # 1qckA.34.35 read from T0187.t2k.frag # found chain 1qckA in template set T0187 34 :KLNLDRVIL 1qckA 36 :ERGFDKAYV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.94483 Ang R7.NH1 and I9.CD1 other bump:2.50196 Ang R7.NH1 and I9.CG1 Number of specific fragments= 1 total=1394 # 3kinB.35.38 read from T0187.t2k.frag # found chain 3kinB in template set T0187 35 :LNLDRVILV 3kinB 294 :GNCRTTIVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1395 # 1jeoA.35.37 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 35 :LNLDRVILV 1jeoA 38 :IKAKKIFIF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3733 Ang D5.CA and D5.CB Number of specific fragments= 1 total=1396 # 1khhA.35.42 read from T0187.t2k.frag # found chain 1khhA in template set T0187 35 :LNLDRVILV 1khhA 80 :APIKEHWII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1397 # 1jj2N.35.35 read from T0187.t2k.frag # found chain 1jj2N in template set T0187 35 :LNLDRVILV 1jj2N 36 :PRRTHAEVN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89716 Ang V7.CG1 and L9.CG Number of specific fragments= 1 total=1398 # 3kinB.35.37 read from T0187.t2k.frag # found chain 3kinB in template set T0187 35 :LNLDRVILV 3kinB 293 :GGNCRTTIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39848 Ang L4.CA and L4.CB Number of specific fragments= 1 total=1399 # 1jclA.35.38 read from T0187.t2k.frag # found chain 1jclA in training set T0187 35 :LNLDRVILV 1jclA 38 :TPVGNTAAI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54324 Ang V7.CG1 and L9.O neighbor-bump: 2.24379 Ang L4.O and D5.CG neighbor-bump: 2.76002 Ang L4.C and D5.CG neighbor-bump: 2.3152 Ang L4.O and D5.CB Number of specific fragments= 1 total=1400 # 1jeoA.36.38 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 36 :NLDRVILVA 1jeoA 39 :KAKKIFIFG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3733 Ang D4.CA and D4.CB Number of specific fragments= 1 total=1401 # 3kinB.36.39 read from T0187.t2k.frag # found chain 3kinB in template set T0187 36 :NLDRVILVA 3kinB 295 :NCRTTIVIC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1402 # 1khhA.36.43 read from T0187.t2k.frag # found chain 1khhA in template set T0187 36 :NLDRVILVA 1khhA 81 :PIKEHWIIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1403 # 3kinB.36.38 read from T0187.t2k.frag # found chain 3kinB in template set T0187 36 :NLDRVILVA 3kinB 294 :GNCRTTIVI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39848 Ang L3.CA and L3.CB Number of specific fragments= 1 total=1404 # 1ja9A.36.42 read from T0187.t2k.frag # adding 1ja9A to template set 1ja9A:# found chain 1ja9A in template set T0187 36 :NLDRVILVA 1ja9A 51 :RRGASVVVN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.21332 Ang R5.NE and I7.CG2 other bump:2.45253 Ang R5.NH1 and I7.CG2 other bump:2.64489 Ang R5.CZ and I7.CG2 Number of specific fragments= 1 total=1405 # 1jclA.36.39 read from T0187.t2k.frag # found chain 1jclA in training set T0187 36 :NLDRVILVA 1jclA 39 :PVGNTAAIC Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54324 Ang V6.CG1 and L8.O neighbor-bump: 2.24379 Ang L3.O and D4.CG neighbor-bump: 2.76002 Ang L3.C and D4.CG neighbor-bump: 2.3152 Ang L3.O and D4.CB Number of specific fragments= 1 total=1406 # 1jeoA.37.39 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 37 :LDRVILVAV 1jeoA 40 :AKKIFIFGV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3733 Ang D3.CA and D3.CB Number of specific fragments= 1 total=1407 # 3kinB.37.40 read from T0187.t2k.frag # found chain 3kinB in template set T0187 37 :LDRVILVAV 3kinB 296 :CRTTIVICC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1408 # 1khhA.37.44 read from T0187.t2k.frag # found chain 1khhA in template set T0187 37 :LDRVILVAV 1khhA 82 :IKEHWIIEC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92392 Ang L2.CD2 and V5.CG2 Number of specific fragments= 1 total=1409 # 1tc1A.37.40 read from T0187.t2k.frag # adding 1tc1A to template set 1tc1A:# found chain 1tc1A in template set T0187 37 :LDRVILVAV 1tc1A 42 :VNPLVLISV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1410 # 1jclA.37.40 read from T0187.t2k.frag # found chain 1jclA in training set T0187 37 :LDRVILVAV 1jclA 40 :VGNTAAICI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54324 Ang V5.CG1 and L7.O neighbor-bump: 2.24379 Ang L2.O and D3.CG neighbor-bump: 2.76002 Ang L2.C and D3.CG neighbor-bump: 2.3152 Ang L2.O and D3.CB Number of specific fragments= 1 total=1411 # 3kinB.37.39 read from T0187.t2k.frag # found chain 3kinB in template set T0187 37 :LDRVILVAV 3kinB 295 :NCRTTIVIC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39849 Ang L2.CA and L2.CB Number of specific fragments= 1 total=1412 # 1jeoA.38.40 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 38 :DRVILVAVG 1jeoA 41 :KKIFIFGVG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3733 Ang D2.CA and D2.CB Number of specific fragments= 1 total=1413 # 3kinB.38.41 read from T0187.t2k.frag # found chain 3kinB in template set T0187 38 :DRVILVAVG 3kinB 297 :RTTIVICCS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1414 # 1khhA.38.45 read from T0187.t2k.frag # found chain 1khhA in template set T0187 38 :DRVILVAVG 1khhA 83 :KEHWIIECN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1415 # 1tc1A.38.41 read from T0187.t2k.frag # found chain 1tc1A in template set T0187 38 :DRVILVAVG 1tc1A 43 :NPLVLISVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1416 # 1jclA.38.41 read from T0187.t2k.frag # found chain 1jclA in training set T0187 38 :DRVILVAVG 1jclA 41 :GNTAAICIY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54324 Ang V4.CG1 and L6.O neighbor-bump: 2.29319 Ang G1.O and D2.CB neighbor-bump: 2.69184 Ang G1.C and D2.CB Number of specific fragments= 1 total=1417 # 1jcjA.38.41 read from T0187.t2k.frag # adding 1jcjA to template set 1jcjA:Skipped atom 61, because occupancy 0.38 <= existing 0.620001 Skipped atom 63, because occupancy 0.38 <= existing 0.620001 Skipped atom 124, because occupancy 0.41 <= existing 0.590001 Skipped atom 126, because occupancy 0.41 <= existing 0.590001 Skipped atom 128, because occupancy 0.41 <= existing 0.590001 Skipped atom 130, because occupancy 0.41 <= existing 0.590001 Skipped atom 1820, because occupancy 0.28 <= existing 0.720001 Skipped atom 1822, because occupancy 0.28 <= existing 0.720001 # found chain 1jcjA in template set T0187 38 :DRVILVAVG 1jcjA 41 :GNTAAICIY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54928 Ang V4.CG1 and L6.O neighbor-bump: 2.59031 Ang I5.CG1 and L6.CD2 neighbor-bump: 2.26961 Ang G1.O and D2.CB neighbor-bump: 2.69671 Ang G1.C and D2.CB Number of specific fragments= 1 total=1418 # 1jeoA.39.41 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 39 :RVILVAVGK 1jeoA 42 :KIFIFGVGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1419 # 3kinB.39.42 read from T0187.t2k.frag # found chain 3kinB in template set T0187 39 :RVILVAVGK 3kinB 298 :TTIVICCSP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1420 # 1tc1A.39.42 read from T0187.t2k.frag # found chain 1tc1A in template set T0187 39 :RVILVAVGK 1tc1A 44 :PLVLISVLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1421 # 1khhA.39.46 read from T0187.t2k.frag # found chain 1khhA in template set T0187 39 :RVILVAVGK 1khhA 84 :EHWIIECND Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94481 Ang R2.CZ and I4.CD1 Number of specific fragments= 1 total=1422 # 1cbf.39.21 read from T0187.t2k.frag # adding 1cbf to template set 1cbf:Skipped atom 832, because occupancy 0.5 <= existing 0.500001 Skipped atom 834, because occupancy 0.5 <= existing 0.500001 Skipped atom 836, because occupancy 0.5 <= existing 0.500001 Skipped atom 838, because occupancy 0.5 <= existing 0.500001 # found chain 1cbf in template set T0187 39 :RVILVAVGK 1cbf 22 :KLYIIGAGP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.08385 Ang I4.CG2 and V6.CG1 Number of specific fragments= 1 total=1423 # 1ll0A.39.39 read from T0187.t2k.frag # adding 1ll0A to template set 1ll0A:# found chain 1ll0A in template set T0187 39 :RVILVAVGK 1ll0A 33 :RLAVLTTPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1424 # 1jeoA.40.42 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 40 :VILVAVGKA 1jeoA 43 :IFIFGVGRS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15767 Ang A6.CB and G11.CA other bump:3.15001 Ang A6.CB and G11.N other bump:3.16139 Ang A6.CB and A10.C Number of specific fragments= 1 total=1425 # 3kinB.40.43 read from T0187.t2k.frag # found chain 3kinB in template set T0187 40 :VILVAVGKA 3kinB 299 :TIVICCSPS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1426 # 1tc1A.40.43 read from T0187.t2k.frag # found chain 1tc1A in template set T0187 40 :VILVAVGKA 1tc1A 45 :LVLISVLKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1427 # 1khhA.40.47 read from T0187.t2k.frag # found chain 1khhA in template set T0187 40 :VILVAVGKA 1khhA 85 :HWIIECNDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1428 # 1ll0A.40.40 read from T0187.t2k.frag # found chain 1ll0A in template set T0187 40 :VILVAVGKA 1ll0A 34 :LAVLTTPQV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1429 # 1ja9A.40.46 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 40 :VILVAVGKA 1ja9A 55 :SVVVNYGSS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1430 # 1jeoA.41.43 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 41 :ILVAVGKAA 1jeoA 44 :FIFGVGRSG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97127 Ang A5.C and A10.CB other bump:2.51434 Ang A5.O and A10.CB other bump:3.15767 Ang A5.CB and A10.CA other bump:3.15001 Ang A5.CB and A10.N other bump:3.16139 Ang A5.CB and A9.C Number of specific fragments= 1 total=1431 # 1tc1A.41.44 read from T0187.t2k.frag # found chain 1tc1A in template set T0187 41 :ILVAVGKAA 1tc1A 46 :VLISVLKGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1432 # 3kinB.41.44 read from T0187.t2k.frag # found chain 3kinB in template set T0187 41 :ILVAVGKAA 3kinB 300 :IVICCSPSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1433 # 1jclA.41.44 read from T0187.t2k.frag # found chain 1jclA in training set T0187 41 :ILVAVGKAA 1jclA 44 :AAICIYPRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1434 # 1jcjA.41.44 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 41 :ILVAVGKAA 1jcjA 44 :AAICIYPRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1435 # 1ja9A.41.47 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 41 :ILVAVGKAA 1ja9A 56 :VVVNYGSSS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1436 # 1jeoA.42.44 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 42 :LVAVGKAAW 1jeoA 45 :IFGVGRSGY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51434 Ang A4.O and A9.CB other bump:2.97127 Ang A4.C and A9.CB other bump:3.15767 Ang A4.CB and A9.CA other bump:3.15001 Ang A4.CB and A9.N other bump:3.16139 Ang A4.CB and A8.C Number of specific fragments= 1 total=1437 # 1tc1A.42.45 read from T0187.t2k.frag # found chain 1tc1A in template set T0187 42 :LVAVGKAAW 1tc1A 47 :LISVLKGSF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1438 # 1jclA.42.45 read from T0187.t2k.frag # found chain 1jclA in training set T0187 42 :LVAVGKAAW 1jclA 45 :AICIYPRFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1439 # 3kinB.42.45 read from T0187.t2k.frag # found chain 3kinB in template set T0187 42 :LVAVGKAAW 3kinB 301 :VICCSPSVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1440 # 1jcjA.42.45 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 42 :LVAVGKAAW 1jcjA 45 :AICIYPRFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1441 # 1at1A.42.44 read from T0187.t2k.frag # adding 1at1A to template set 1at1A:# found chain 1at1A in template set T0187 42 :LVAVGKAAW 1at1A 45 :ASCFFEAST Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.03868 Ang W10.CE3 and G11.CA neighbor-bump: 2.53053 Ang W10.CD2 and G11.N self-bump: 1.3529 Ang W10.CA and W10.CB other bump:3.17048 Ang V5.CG1 and K7.C other bump:2.65408 Ang V5.CG1 and K7.O Number of specific fragments= 1 total=1442 # 1jeoA.43.45 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 43 :VAVGKAAWR 1jeoA 46 :FGVGRSGYI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51434 Ang A3.O and A8.CB other bump:2.97127 Ang A3.C and A8.CB other bump:3.15767 Ang A3.CB and A8.CA other bump:3.15001 Ang A3.CB and A8.N other bump:3.16139 Ang A3.CB and A7.C Number of specific fragments= 1 total=1443 # 1jclA.43.46 read from T0187.t2k.frag # found chain 1jclA in training set T0187 43 :VAVGKAAWR 1jclA 46 :ICIYPRFIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1444 # 1jcjA.43.46 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 43 :VAVGKAAWR 1jcjA 46 :ICIYPRFIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1445 # 3kinB.43.46 read from T0187.t2k.frag # found chain 3kinB in template set T0187 43 :VAVGKAAWR 3kinB 302 :ICCSPSVFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1446 # 3csuA.43.45 read from T0187.t2k.frag # adding 3csuA to template set 3csuA:# found chain 3csuA in template set T0187 43 :VAVGKAAWR 3csuA 46 :SCFFEASTR Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96077 Ang W9.CH2 and R10.NE neighbor-bump: 2.81852 Ang W9.CZ2 and R10.NE neighbor-bump: 2.05094 Ang W9.CH2 and R10.CD neighbor-bump: 2.59373 Ang W9.CZ2 and R10.CD neighbor-bump: 2.71877 Ang W9.CZ3 and R10.CD neighbor-bump: 2.06994 Ang W9.CH2 and R10.CG neighbor-bump: 2.9686 Ang W9.CE2 and R10.CG neighbor-bump: 2.61893 Ang W9.CZ2 and R10.CG neighbor-bump: 1.95767 Ang W9.CZ3 and R10.CG neighbor-bump: 2.42868 Ang W9.CE3 and R10.CG neighbor-bump: 3.26189 Ang W9.CZ3 and R10.CB neighbor-bump: 2.90173 Ang W9.CD2 and R10.N Number of specific fragments= 1 total=1447 # 1tc1A.43.46 read from T0187.t2k.frag # found chain 1tc1A in template set T0187 43 :VAVGKAAWR 1tc1A 48 :ISVLKGSFM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1448 # 1jclA.44.47 read from T0187.t2k.frag # found chain 1jclA in training set T0187 44 :AVGKAAWRM 1jclA 47 :CIYPRFIPI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1449 # 1jcjA.44.47 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 44 :AVGKAAWRM 1jcjA 47 :CIYPRFIPI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1450 # 1jeoA.44.46 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 44 :AVGKAAWRM 1jeoA 47 :GVGRSGYIG Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.56849 Ang G1.O and M10.CE other bump:1.70683 Ang G1.C and M10.CE other bump:2.64379 Ang A2.N and M10.CE other bump:2.2617 Ang G1.O and M10.SD other bump:2.34494 Ang G1.C and M10.SD other bump:2.39274 Ang A2.N and M10.SD other bump:1.56685 Ang A2.CB and M10.SD other bump:2.38015 Ang A2.CA and M10.SD other bump:2.82789 Ang A2.CB and M10.CG other bump:2.51434 Ang A2.O and A7.CB other bump:2.97127 Ang A2.C and A7.CB other bump:3.18899 Ang A2.CB and A7.CA other bump:3.17031 Ang A2.CB and A7.N other bump:3.17534 Ang A2.CB and A6.C Number of specific fragments= 1 total=1451 # 3kinB.44.47 read from T0187.t2k.frag # found chain 3kinB in template set T0187 44 :AVGKAAWRM 3kinB 303 :CCSPSVFNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1452 # 1h65A.44.43 read from T0187.t2k.frag # adding 1h65A to template set 1h65A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1h65A in template set T0187 44 :AVGKAAWRM 1h65A 44 :VMGKGGVGK Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.30166 Ang V3.CA and M10.SD other bump:2.74755 Ang K5.CB and W8.CH2 other bump:2.08952 Ang K5.CG and W8.CH2 other bump:2.37983 Ang K5.CD and W8.CH2 other bump:2.02819 Ang K5.CE and W8.CH2 other bump:3.15568 Ang K5.CB and W8.CZ3 other bump:2.95371 Ang K5.CG and W8.CZ3 other bump:2.64859 Ang K5.N and W8.CZ3 other bump:2.68958 Ang K5.CB and W8.CZ2 other bump:2.40052 Ang K5.CG and W8.CZ2 other bump:2.0524 Ang K5.CD and W8.CZ2 other bump:1.04431 Ang K5.CE and W8.CZ2 other bump:2.4241 Ang K5.NZ and W8.CZ2 other bump:2.9603 Ang K5.CE and W8.NE1 other bump:2.94837 Ang K5.N and W8.CE3 other bump:3.03032 Ang K5.CB and W8.CE2 other bump:2.21704 Ang K5.CE and W8.CE2 neighbor-bump: 2.29746 Ang A6.O and A7.CB neighbor-bump: 2.47595 Ang A6.C and A7.CB Number of specific fragments= 1 total=1453 # 3csuA.44.46 read from T0187.t2k.frag # found chain 3csuA in template set T0187 44 :AVGKAAWRM 3csuA 47 :CFFEASTRT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.81852 Ang W8.CZ2 and R9.NE neighbor-bump: 2.96077 Ang W8.CH2 and R9.NE neighbor-bump: 2.59373 Ang W8.CZ2 and R9.CD neighbor-bump: 2.05094 Ang W8.CH2 and R9.CD neighbor-bump: 2.71877 Ang W8.CZ3 and R9.CD neighbor-bump: 2.9686 Ang W8.CE2 and R9.CG neighbor-bump: 2.61893 Ang W8.CZ2 and R9.CG neighbor-bump: 2.06994 Ang W8.CH2 and R9.CG neighbor-bump: 2.42868 Ang W8.CE3 and R9.CG neighbor-bump: 1.95767 Ang W8.CZ3 and R9.CG neighbor-bump: 3.26189 Ang W8.CZ3 and R9.CB neighbor-bump: 2.90173 Ang W8.CD2 and R9.N Number of specific fragments= 1 total=1454 # 1jclA.45.48 read from T0187.t2k.frag # found chain 1jclA in training set T0187 45 :VGKAAWRMA 1jclA 48 :IYPRFIPIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1455 # 1jcjA.45.48 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 45 :VGKAAWRMA 1jcjA 48 :IYPRFIPIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1456 # 1jeoA.45.47 read from T0187.t2k.frag # found chain 1jeoA in template set T0187 45 :VGKAAWRMA 1jeoA 48 :VGRSGYIGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.51434 Ang G1.O and A6.CB other bump:2.97127 Ang G1.C and A6.CB Number of specific fragments= 1 total=1457 # 1abv.45.48 read from T0187.t2k.frag # adding 1abv to template set 1abv:# found chain 1abv in template set T0187 45 :VGKAAWRMA 1abv 49 :GALAPETLA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98289 Ang V2.CG1 and M9.CG other bump:2.96203 Ang A5.CB and R8.CD other bump:3.07181 Ang V2.CG2 and A5.C other bump:2.44007 Ang V2.CG2 and A5.O other bump:2.90838 Ang V2.CG2 and A5.N Number of specific fragments= 1 total=1458 # 1dmuA.45.47 read from T0187.t2k.frag # adding 1dmuA to template set 1dmuA:# found chain 1dmuA in template set T0187 45 :VGKAAWRMA 1dmuA 48 :EIRADYNEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35022 Ang K4.CE and R8.NH2 other bump:2.2575 Ang K4.CG and R8.NH1 other bump:1.6312 Ang K4.CD and R8.NH1 other bump:0.539297 Ang K4.CE and R8.NH1 other bump:2.00493 Ang K4.NZ and R8.NH1 other bump:3.02392 Ang K4.CG and R8.CZ other bump:1.66259 Ang K4.CE and R8.CZ other bump:2.83241 Ang K4.NZ and R8.CZ other bump:2.78532 Ang K4.CE and R8.NE Number of specific fragments= 1 total=1459 # 3kinB.45.48 read from T0187.t2k.frag # found chain 3kinB in template set T0187 45 :VGKAAWRMA 3kinB 304 :CSPSVFNEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1460 # 1jclA.46.49 read from T0187.t2k.frag # found chain 1jclA in training set T0187 46 :GKAAWRMAK 1jclA 49 :YPRFIPIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1461 # 1jcjA.46.49 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 46 :GKAAWRMAK 1jcjA 49 :YPRFIPIAR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1462 # 1dmuA.46.48 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 46 :GKAAWRMAK 1dmuA 49 :IRADYNEAN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35022 Ang K3.CE and R7.NH2 other bump:2.2575 Ang K3.CG and R7.NH1 other bump:1.6312 Ang K3.CD and R7.NH1 other bump:0.539297 Ang K3.CE and R7.NH1 other bump:2.00493 Ang K3.NZ and R7.NH1 other bump:3.02392 Ang K3.CG and R7.CZ other bump:1.66259 Ang K3.CE and R7.CZ other bump:2.83241 Ang K3.NZ and R7.CZ other bump:2.78532 Ang K3.CE and R7.NE Number of specific fragments= 1 total=1463 # 1abv.46.49 read from T0187.t2k.frag # found chain 1abv in template set T0187 46 :GKAAWRMAK 1abv 50 :ALAPETLAE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96203 Ang A4.CB and R7.CD Number of specific fragments= 1 total=1464 # 3kinB.46.49 read from T0187.t2k.frag # found chain 3kinB in template set T0187 46 :GKAAWRMAK 3kinB 305 :SPSVFNEAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1465 # 2admA.46.46 read from T0187.t2k.frag # adding 2admA to template set 2admA:# found chain 2admA in template set T0187 46 :GKAAWRMAK 2admA 47 :ACAHGPFLR Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98236 Ang K3.CE and W6.CH2 other bump:1.47689 Ang K3.NZ and W6.CH2 other bump:2.73123 Ang K3.CE and W6.CZ3 other bump:1.4952 Ang K3.NZ and W6.CZ3 other bump:3.05304 Ang K3.CD and W6.CZ2 other bump:2.63592 Ang K3.CE and W6.CZ2 other bump:1.4825 Ang K3.NZ and W6.CZ2 other bump:2.40748 Ang K3.CB and W6.NE1 other bump:2.99191 Ang K3.CD and W6.NE1 other bump:2.50344 Ang K3.CE and W6.NE1 other bump:2.73387 Ang K3.NZ and W6.NE1 other bump:2.00848 Ang K3.CE and W6.CE3 other bump:1.5158 Ang K3.NZ and W6.CE3 other bump:2.62729 Ang K3.CD and W6.CE2 other bump:1.82737 Ang K3.CE and W6.CE2 other bump:1.45009 Ang K3.NZ and W6.CE2 other bump:2.82073 Ang K3.CD and W6.CD2 other bump:1.37723 Ang K3.CE and W6.CD2 other bump:1.45122 Ang K3.NZ and W6.CD2 other bump:2.12271 Ang K3.CB and W6.CD1 other bump:2.61886 Ang K3.CE and W6.CD1 other bump:2.83263 Ang K3.CB and W6.CG other bump:1.98471 Ang K3.CE and W6.CG Number of specific fragments= 1 total=1466 # 1jclA.47.50 read from T0187.t2k.frag # found chain 1jclA in training set T0187 47 :KAAWRMAKA 1jclA 50 :PRFIPIARK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1467 # 1jcjA.47.50 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 47 :KAAWRMAKA 1jcjA 50 :PRFIPIARK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1468 # 1dmuA.47.49 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 47 :KAAWRMAKA 1dmuA 50 :RADYNEANF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35019 Ang K2.CE and R6.NH2 other bump:2.2575 Ang K2.CG and R6.NH1 other bump:1.63119 Ang K2.CD and R6.NH1 other bump:0.53929 Ang K2.CE and R6.NH1 other bump:2.00491 Ang K2.NZ and R6.NH1 other bump:3.02391 Ang K2.CG and R6.CZ other bump:1.66257 Ang K2.CE and R6.CZ other bump:2.83238 Ang K2.NZ and R6.CZ other bump:2.7853 Ang K2.CE and R6.NE Number of specific fragments= 1 total=1469 # 1abv.47.50 read from T0187.t2k.frag # found chain 1abv in template set T0187 47 :KAAWRMAKA 1abv 51 :LAPETLAES Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96203 Ang A3.CB and R6.CD Number of specific fragments= 1 total=1470 # 2admA.47.47 read from T0187.t2k.frag # found chain 2admA in template set T0187 47 :KAAWRMAKA 2admA 48 :CAHGPFLRA Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98236 Ang K2.CE and W5.CH2 other bump:1.47689 Ang K2.NZ and W5.CH2 other bump:2.73123 Ang K2.CE and W5.CZ3 other bump:1.4952 Ang K2.NZ and W5.CZ3 other bump:3.05304 Ang K2.CD and W5.CZ2 other bump:2.63591 Ang K2.CE and W5.CZ2 other bump:1.4825 Ang K2.NZ and W5.CZ2 other bump:2.40748 Ang K2.CB and W5.NE1 other bump:2.99191 Ang K2.CD and W5.NE1 other bump:2.50343 Ang K2.CE and W5.NE1 other bump:2.73387 Ang K2.NZ and W5.NE1 other bump:2.00848 Ang K2.CE and W5.CE3 other bump:1.5158 Ang K2.NZ and W5.CE3 other bump:2.62729 Ang K2.CD and W5.CE2 other bump:1.82737 Ang K2.CE and W5.CE2 other bump:1.45009 Ang K2.NZ and W5.CE2 other bump:2.82072 Ang K2.CD and W5.CD2 other bump:1.37723 Ang K2.CE and W5.CD2 other bump:1.45122 Ang K2.NZ and W5.CD2 other bump:2.12271 Ang K2.CB and W5.CD1 other bump:2.61886 Ang K2.CE and W5.CD1 other bump:2.83263 Ang K2.CB and W5.CG other bump:1.98472 Ang K2.CE and W5.CG Number of specific fragments= 1 total=1471 # 3kinB.47.50 read from T0187.t2k.frag # found chain 3kinB in template set T0187 47 :KAAWRMAKA 3kinB 306 :PSVFNEAET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1472 # 1jclA.48.51 read from T0187.t2k.frag # found chain 1jclA in training set T0187 48 :AAWRMAKAA 1jclA 51 :RFIPIARKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1473 # 1jcjA.48.51 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 48 :AAWRMAKAA 1jcjA 51 :RFIPIARKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1474 # 1dmuA.48.50 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 48 :AAWRMAKAA 1dmuA 51 :ADYNEANFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1475 # 1abv.48.51 read from T0187.t2k.frag # found chain 1abv in template set T0187 48 :AAWRMAKAA 1abv 52 :APETLAESF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96203 Ang A2.CB and R5.CD Number of specific fragments= 1 total=1476 # 2admA.48.48 read from T0187.t2k.frag # found chain 2admA in template set T0187 48 :AAWRMAKAA 2admA 49 :AHGPFLRAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1477 # 1jraA.48.53 read from T0187.t2k.frag # adding 1jraA to template set 1jraA:# found chain 1jraA in template set T0187 48 :AAWRMAKAA 1jraA 57 :CSYHFVKLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1478 # 1jclA.49.52 read from T0187.t2k.frag # found chain 1jclA in training set T0187 49 :AWRMAKAAY 1jclA 52 :FIPIARKTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37425 Ang A6.O and Y10.CD1 Number of specific fragments= 1 total=1479 # 1jcjA.49.52 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 49 :AWRMAKAAY 1jcjA 52 :FIPIARKTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35879 Ang A6.O and Y10.CD1 Number of specific fragments= 1 total=1480 # 1dmuA.49.51 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 49 :AWRMAKAAY 1dmuA 52 :DYNEANFLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1481 # 2admA.49.49 read from T0187.t2k.frag # found chain 2admA in template set T0187 49 :AWRMAKAAY 2admA 50 :HGPFLRAFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1482 # 1abv.49.52 read from T0187.t2k.frag # found chain 1abv in template set T0187 49 :AWRMAKAAY 1abv 53 :PETLAESFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1483 # 1whsB.49.49 read from T0187.t2k.frag # adding 1whsB to template set 1whsB:# found chain 1whsB in template set T0187 49 :AWRMAKAAY 1whsB 310 :PRSMLPIYR Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.61666 Ang W3.CZ2 and R4.NH2 neighbor-bump: 2.91569 Ang W3.CZ3 and R4.NH2 neighbor-bump: 2.32334 Ang W3.CH2 and R4.NH2 neighbor-bump: 2.48805 Ang W3.CE3 and R4.NH1 neighbor-bump: 2.21108 Ang W3.CZ3 and R4.NH1 neighbor-bump: 2.84979 Ang W3.CH2 and R4.NH1 neighbor-bump: 3.11315 Ang W3.CE2 and R4.CZ neighbor-bump: 2.89187 Ang W3.CE3 and R4.CZ neighbor-bump: 2.9125 Ang W3.CZ2 and R4.CZ neighbor-bump: 2.58964 Ang W3.CZ3 and R4.CZ neighbor-bump: 2.59556 Ang W3.CH2 and R4.CZ neighbor-bump: 3.03141 Ang W3.CE2 and R4.NE neighbor-bump: 3.3017 Ang W3.CE3 and R4.NE Number of specific fragments= 1 total=1484 # 1jclA.50.53 read from T0187.t2k.frag # found chain 1jclA in training set T0187 50 :WRMAKAAYE 1jclA 53 :IPIARKTLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37426 Ang A5.O and Y9.CD1 Number of specific fragments= 1 total=1485 # 1jcjA.50.53 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 50 :WRMAKAAYE 1jcjA 53 :IPIARKTLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35878 Ang A5.O and Y9.CD1 Number of specific fragments= 1 total=1486 # 1dmuA.50.52 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 50 :WRMAKAAYE 1dmuA 53 :YNEANFLHP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1487 # 2admA.50.50 read from T0187.t2k.frag # found chain 2admA in template set T0187 50 :WRMAKAAYE 2admA 51 :GPFLRAFRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1488 # 1abv.50.53 read from T0187.t2k.frag # found chain 1abv in template set T0187 50 :WRMAKAAYE 1abv 54 :ETLAESFIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1489 # 1qpoA.50.54 read from T0187.t2k.frag # adding 1qpoA to template set 1qpoA:# found chain 1qpoA in template set T0187 50 :WRMAKAAYE 1qpoA 56 :LDVALLTLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1490 # 1jclA.51.54 read from T0187.t2k.frag # found chain 1jclA in training set T0187 51 :RMAKAAYEV 1jclA 54 :PIARKTLKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37426 Ang A4.O and Y8.CD1 Number of specific fragments= 1 total=1491 # 1jcjA.51.54 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 51 :RMAKAAYEV 1jcjA 54 :PIARKTLKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35878 Ang A4.O and Y8.CD1 Number of specific fragments= 1 total=1492 # 1dmuA.51.53 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 51 :RMAKAAYEV 1dmuA 54 :NEANFLHPF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1493 # 2admA.51.51 read from T0187.t2k.frag # found chain 2admA in template set T0187 51 :RMAKAAYEV 2admA 52 :PFLRAFREA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1494 # 1abv.51.54 read from T0187.t2k.frag # found chain 1abv in template set T0187 51 :RMAKAAYEV 1abv 55 :TLAESFIAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1495 # 1qpoA.51.55 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 51 :RMAKAAYEV 1qpoA 57 :DVALLTLNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1496 # 1jclA.52.55 read from T0187.t2k.frag # found chain 1jclA in training set T0187 52 :MAKAAYEVL 1jclA 55 :IARKTLKEQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37426 Ang A3.O and Y7.CD1 Number of specific fragments= 1 total=1497 # 1jcjA.52.55 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 52 :MAKAAYEVL 1jcjA 55 :IARKTLKEQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35878 Ang A3.O and Y7.CD1 Number of specific fragments= 1 total=1498 # 1dmuA.52.54 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 52 :MAKAAYEVL 1dmuA 55 :EANFLHPFW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1499 # 2admA.52.52 read from T0187.t2k.frag # found chain 2admA in template set T0187 52 :MAKAAYEVL 2admA 53 :FLRAFREAH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1500 # 1abv.52.55 read from T0187.t2k.frag # found chain 1abv in template set T0187 52 :MAKAAYEVL 1abv 56 :LAESFIAVC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1501 # 1qpoA.52.56 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 52 :MAKAAYEVL 1qpoA 58 :VALLTLNEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1502 # 1jclA.53.56 read from T0187.t2k.frag # found chain 1jclA in training set T0187 53 :AKAAYEVLG 1jclA 56 :ARKTLKEQG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37426 Ang A2.O and Y6.CD1 Number of specific fragments= 1 total=1503 # 1jcjA.53.56 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 53 :AKAAYEVLG 1jcjA 56 :ARKTLKEQG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35878 Ang A2.O and Y6.CD1 Number of specific fragments= 1 total=1504 # 1dmuA.53.55 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 53 :AKAAYEVLG 1dmuA 56 :ANFLHPFWM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1505 # 2admA.53.53 read from T0187.t2k.frag # found chain 2admA in template set T0187 53 :AKAAYEVLG 2admA 54 :LRAFREAHG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02417 Ang Y6.CD1 and G11.CA other bump:2.35643 Ang Y6.CE1 and G11.CA other bump:2.792 Ang Y6.CD1 and G10.O Number of specific fragments= 1 total=1506 # 1abv.53.56 read from T0187.t2k.frag # found chain 1abv in template set T0187 53 :AKAAYEVLG 1abv 57 :AESFIAVCG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1507 # 1euvA.53.53 read from T0187.t2k.frag # adding 1euvA to template set 1euvA:# found chain 1euvA in template set T0187 53 :AKAAYEVLG 1euvA 454 :IEFFMKYIE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1508 # 1jclA.54.57 read from T0187.t2k.frag # found chain 1jclA in training set T0187 54 :KAAYEVLGK 1jclA 57 :RKTLKEQGT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37426 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=1509 # 1jcjA.54.57 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 54 :KAAYEVLGK 1jcjA 57 :RKTLKEQGT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35878 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=1510 # 1dmuA.54.56 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 54 :KAAYEVLGK 1dmuA 57 :NFLHPFWMN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1511 # 1abv.54.57 read from T0187.t2k.frag # found chain 1abv in template set T0187 54 :KAAYEVLGK 1abv 58 :ESFIAVCGE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1512 # 2admA.54.54 read from T0187.t2k.frag # found chain 2admA in template set T0187 54 :KAAYEVLGK 2admA 55 :RAFREAHGT Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.21379 Ang Y5.CD2 and K10.NZ other bump:1.04717 Ang Y5.CE2 and K10.NZ other bump:2.31976 Ang Y5.CZ and K10.NZ other bump:2.54374 Ang Y5.CG and K10.CE other bump:2.84666 Ang Y5.CD1 and K10.CE other bump:1.57461 Ang Y5.CD2 and K10.CE other bump:2.46208 Ang Y5.CE1 and K10.CE other bump:0.613837 Ang Y5.CE2 and K10.CE other bump:1.494 Ang Y5.CZ and K10.CE other bump:2.47169 Ang Y5.OH and K10.CE other bump:2.66411 Ang Y5.CG and K10.CD other bump:2.1759 Ang Y5.CD1 and K10.CD other bump:2.39111 Ang Y5.CD2 and K10.CD other bump:1.15593 Ang Y5.CE1 and K10.CD other bump:1.49886 Ang Y5.CE2 and K10.CD other bump:0.339119 Ang Y5.CZ and K10.CD other bump:1.56583 Ang Y5.OH and K10.CD other bump:1.94523 Ang Y5.CE1 and K10.CG other bump:2.77568 Ang Y5.CE2 and K10.CG other bump:1.70035 Ang Y5.CZ and K10.CG other bump:1.69788 Ang Y5.OH and K10.CG other bump:2.30898 Ang Y5.CE1 and K10.CB other bump:2.67805 Ang Y5.CZ and K10.CB other bump:2.402 Ang Y5.OH and K10.CB other bump:3.02417 Ang Y5.CD1 and K10.CA other bump:2.35643 Ang Y5.CE1 and K10.CA other bump:2.792 Ang Y5.CD1 and G9.O Number of specific fragments= 1 total=1513 # 1euvA.54.54 read from T0187.t2k.frag # found chain 1euvA in template set T0187 54 :KAAYEVLGK 1euvA 455 :EFFMKYIEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1514 # 1jcjA.55.58 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 55 :AAYEVLGKK 1jcjA 58 :KTLKEQGTP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10521 Ang E5.CA and K10.CD Number of specific fragments= 1 total=1515 # 1jclA.55.58 read from T0187.t2k.frag # found chain 1jclA in training set T0187 55 :AAYEVLGKK 1jclA 58 :KTLKEQGTP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.09711 Ang E5.CA and K10.CD Number of specific fragments= 1 total=1516 # 1dmuA.55.57 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 55 :AAYEVLGKK 1dmuA 58 :FLHPFWMNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1517 # 1abv.55.58 read from T0187.t2k.frag # found chain 1abv in template set T0187 55 :AAYEVLGKK 1abv 59 :SFIAVCGEQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1518 # 2admA.55.55 read from T0187.t2k.frag # found chain 2admA in template set T0187 55 :AAYEVLGKK 2admA 56 :AFREAHGTG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81841 Ang Y4.OH and K9.CG other bump:2.69091 Ang Y4.CE1 and K9.CB other bump:2.68131 Ang Y4.OH and K9.CB other bump:3.02417 Ang Y4.CD1 and K9.CA other bump:2.35643 Ang Y4.CE1 and K9.CA other bump:2.792 Ang Y4.CD1 and G8.O Number of specific fragments= 1 total=1519 # 1irf.55.55 read from T0187.t2k.frag # found chain 1irf in template set T0187 55 :AAYEVLGKK 1irf 57 :NWAIHTGKH Fragment has 47 clashes (null) has 47 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54578 Ang Y4.CE2 and G11.N other bump:2.48939 Ang Y4.CZ and G11.N other bump:2.09984 Ang Y4.OH and G11.N other bump:2.80801 Ang Y4.CD2 and K10.C other bump:1.95448 Ang Y4.CE2 and K10.C other bump:3.04891 Ang Y4.CE1 and K10.C other bump:2.10694 Ang Y4.CZ and K10.C other bump:2.4709 Ang Y4.OH and K10.C other bump:2.28428 Ang Y4.CE2 and K10.O other bump:2.22474 Ang E5.OE2 and K10.O other bump:2.53352 Ang Y4.CB and K10.CE other bump:2.44034 Ang Y4.CG and K10.CE other bump:2.93387 Ang Y4.CD2 and K10.CE other bump:2.93533 Ang Y4.CB and K10.CD other bump:2.02849 Ang Y4.CG and K10.CD other bump:2.44712 Ang Y4.CD2 and K10.CD other bump:2.78861 Ang Y4.CE2 and K10.CD other bump:1.95249 Ang Y4.CD1 and K10.CD other bump:2.36415 Ang Y4.CE1 and K10.CD other bump:2.75424 Ang Y4.CZ and K10.CD other bump:2.50584 Ang Y4.CB and K10.CG other bump:1.05408 Ang Y4.CG and K10.CG other bump:1.30437 Ang Y4.CD2 and K10.CG other bump:1.70988 Ang Y4.CE2 and K10.CG other bump:1.245 Ang Y4.CD1 and K10.CG other bump:1.65547 Ang Y4.CE1 and K10.CG other bump:1.84485 Ang Y4.CZ and K10.CG other bump:2.31408 Ang Y4.CG and K10.CB other bump:2.43111 Ang Y4.CD2 and K10.CB other bump:1.9665 Ang Y4.CE2 and K10.CB other bump:1.54154 Ang Y4.CD1 and K10.CB other bump:0.505199 Ang Y4.CE1 and K10.CB other bump:0.985656 Ang Y4.CZ and K10.CB other bump:2.14861 Ang Y4.OH and K10.CB other bump:2.99003 Ang Y4.CG and K10.CA other bump:2.8349 Ang Y4.CD2 and K10.CA other bump:2.25507 Ang Y4.CE2 and K10.CA other bump:2.55303 Ang Y4.CD1 and K10.CA other bump:1.86242 Ang Y4.CE1 and K10.CA other bump:1.6395 Ang Y4.CZ and K10.CA other bump:2.34319 Ang Y4.OH and K10.CA other bump:3.09787 Ang Y4.CG and K10.N other bump:2.78108 Ang Y4.CD1 and K10.N other bump:2.73705 Ang Y4.CE1 and K10.N other bump:3.00292 Ang Y4.CZ and K10.N neighbor-bump: 2.61416 Ang Y4.CD2 and E5.OE2 neighbor-bump: 2.65817 Ang Y4.CE2 and E5.OE2 Number of specific fragments= 1 total=1520 # 1jcjA.56.59 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 56 :AYEVLGKKI 1jcjA 59 :TLKEQGTPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49173 Ang E4.CG and K9.CE Number of specific fragments= 1 total=1521 # 1jclA.56.59 read from T0187.t2k.frag # found chain 1jclA in training set T0187 56 :AYEVLGKKI 1jclA 59 :TLKEQGTPE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28795 Ang E4.CG and K9.CE Number of specific fragments= 1 total=1522 # 1dmuA.56.58 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 56 :AYEVLGKKI 1dmuA 59 :LHPFWMNYP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1523 # 1abv.56.59 read from T0187.t2k.frag # found chain 1abv in template set T0187 56 :AYEVLGKKI 1abv 60 :FIAVCGEQL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1524 # 2admA.56.56 read from T0187.t2k.frag # found chain 2admA in template set T0187 56 :AYEVLGKKI 2admA 57 :FREAHGTGY Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75145 Ang I10.CG2 and G11.N other bump:2.81841 Ang Y3.OH and K8.CG other bump:2.69091 Ang Y3.CE1 and K8.CB other bump:2.68131 Ang Y3.OH and K8.CB other bump:3.02417 Ang Y3.CD1 and K8.CA other bump:2.35643 Ang Y3.CE1 and K8.CA other bump:2.792 Ang Y3.CD1 and G7.O Number of specific fragments= 1 total=1525 # 1irf.56.56 read from T0187.t2k.frag # found chain 1irf in template set T0187 56 :AYEVLGKKI 1irf 58 :WAIHTGKHQ Fragment has 43 clashes (null) has 43 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.54578 Ang Y3.CE2 and I10.N other bump:2.48939 Ang Y3.CZ and I10.N other bump:2.09984 Ang Y3.OH and I10.N other bump:2.80801 Ang Y3.CD2 and K9.C other bump:3.04891 Ang Y3.CE1 and K9.C other bump:1.95448 Ang Y3.CE2 and K9.C other bump:2.10694 Ang Y3.CZ and K9.C other bump:2.4709 Ang Y3.OH and K9.C other bump:2.22474 Ang E4.OE2 and K9.O other bump:2.28428 Ang Y3.CE2 and K9.O other bump:2.87336 Ang Y3.CE1 and K9.CE other bump:2.99936 Ang Y3.CG and K9.CD other bump:2.7635 Ang Y3.CD2 and K9.CD other bump:2.92213 Ang Y3.CD1 and K9.CD other bump:2.48456 Ang Y3.CE2 and K9.CD other bump:2.43977 Ang Y3.CZ and K9.CD other bump:2.82743 Ang Y3.CG and K9.CG other bump:2.36724 Ang Y3.CD2 and K9.CG other bump:2.55818 Ang Y3.CD1 and K9.CG other bump:1.76237 Ang Y3.CE1 and K9.CG other bump:1.47812 Ang Y3.CE2 and K9.CG other bump:0.96905 Ang Y3.CZ and K9.CG other bump:1.76796 Ang Y3.OH and K9.CG other bump:1.84596 Ang Y3.CG and K9.CB other bump:1.9141 Ang Y3.CD2 and K9.CB other bump:1.36167 Ang Y3.CD1 and K9.CB other bump:0.896207 Ang Y3.CE1 and K9.CB other bump:1.6357 Ang Y3.CE2 and K9.CB other bump:1.08696 Ang Y3.CZ and K9.CB other bump:2.42347 Ang Y3.OH and K9.CB other bump:2.99003 Ang Y3.CG and K9.CA other bump:2.8349 Ang Y3.CD2 and K9.CA other bump:2.55303 Ang Y3.CD1 and K9.CA other bump:1.86242 Ang Y3.CE1 and K9.CA other bump:2.25507 Ang Y3.CE2 and K9.CA other bump:1.6395 Ang Y3.CZ and K9.CA other bump:2.34319 Ang Y3.OH and K9.CA other bump:3.09787 Ang Y3.CG and K9.N other bump:2.78108 Ang Y3.CD1 and K9.N other bump:2.73705 Ang Y3.CE1 and K9.N other bump:3.00292 Ang Y3.CZ and K9.N neighbor-bump: 2.61416 Ang Y3.CD2 and E4.OE2 neighbor-bump: 2.65817 Ang Y3.CE2 and E4.OE2 Number of specific fragments= 1 total=1526 # 1jcjA.57.60 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 57 :YEVLGKKIR 1jcjA 60 :LKEQGTPEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49173 Ang E3.CG and K8.CE Number of specific fragments= 1 total=1527 # 1jclA.57.60 read from T0187.t2k.frag # found chain 1jclA in training set T0187 57 :YEVLGKKIR 1jclA 60 :LKEQGTPEI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28795 Ang E3.CG and K8.CE Number of specific fragments= 1 total=1528 # 1dmuA.57.59 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 57 :YEVLGKKIR 1dmuA 60 :HPFWMNYPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1529 # 1abv.57.60 read from T0187.t2k.frag # found chain 1abv in template set T0187 57 :YEVLGKKIR 1abv 61 :IAVCGEQLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1530 # 2admA.57.57 read from T0187.t2k.frag # found chain 2admA in template set T0187 57 :YEVLGKKIR 2admA 58 :REAHGTGYR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75145 Ang I9.CG2 and R10.N other bump:2.81841 Ang Y2.OH and K7.CG other bump:2.69092 Ang Y2.CE1 and K7.CB other bump:2.68131 Ang Y2.OH and K7.CB other bump:3.02417 Ang Y2.CD1 and K7.CA other bump:2.35643 Ang Y2.CE1 and K7.CA other bump:2.79199 Ang Y2.CD1 and G6.O Number of specific fragments= 1 total=1531 # 1b4cA.57.57 read from T0187.t2k.frag # adding 1b4cA to template set 1b4cA:# found chain 1b4cA in template set T0187 57 :YEVLGKKIR 1b4cA 57 :METLDEDGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1532 # 1jcjA.58.61 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 58 :EVLGKKIRK 1jcjA 61 :KEQGTPEIR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.71012 Ang E2.CG and K7.CE Number of specific fragments= 1 total=1533 # 1jclA.58.61 read from T0187.t2k.frag # found chain 1jclA in training set T0187 58 :EVLGKKIRK 1jclA 61 :KEQGTPEIR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52777 Ang E2.CG and K7.CE Number of specific fragments= 1 total=1534 # 1dmuA.58.60 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 58 :EVLGKKIRK 1dmuA 61 :PFWMNYPPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1535 # 1euvA.58.58 read from T0187.t2k.frag # found chain 1euvA in template set T0187 58 :EVLGKKIRK 1euvA 459 :KYIEKSTPN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1536 # 1irf.58.58 read from T0187.t2k.frag # found chain 1irf in template set T0187 58 :EVLGKKIRK 1irf 60 :IHTGKHQPG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34529 Ang R9.O and K10.CG self-bump: 1.29467 Ang R9.CA and R9.CB Number of specific fragments= 1 total=1537 # 1b4cA.58.58 read from T0187.t2k.frag # found chain 1b4cA in template set T0187 58 :EVLGKKIRK 1b4cA 58 :ETLDEDGDG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42914 Ang K7.NZ and G11.CA Number of specific fragments= 1 total=1538 # 1jcjA.59.62 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 59 :VLGKKIRKG 1jcjA 62 :EQGTPEIRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1539 # 1jclA.59.62 read from T0187.t2k.frag # found chain 1jclA in training set T0187 59 :VLGKKIRKG 1jclA 62 :EQGTPEIRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1540 # 1euvA.59.59 read from T0187.t2k.frag # found chain 1euvA in template set T0187 59 :VLGKKIRKG 1euvA 460 :YIEKSTPNT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1541 # 1g60A.59.59 read from T0187.t2k.frag # adding 1g60A to template set 1g60A:Skipped atom 47, because occupancy 0.42 <= existing 0.580001 Skipped atom 49, because occupancy 0.42 <= existing 0.580001 Skipped atom 51, because occupancy 0.42 <= existing 0.580001 Skipped atom 53, because occupancy 0.42 <= existing 0.580001 Skipped atom 55, because occupancy 0.42 <= existing 0.580001 Skipped atom 389, because occupancy 0.23 <= existing 0.770001 Skipped atom 391, because occupancy 0.23 <= existing 0.770001 Skipped atom 393, because occupancy 0.23 <= existing 0.770001 Skipped atom 395, because occupancy 0.23 <= existing 0.770001 Skipped atom 401, because occupancy 0.39 <= existing 0.610001 Skipped atom 403, because occupancy 0.39 <= existing 0.610001 Skipped atom 405, because occupancy 0.39 <= existing 0.610001 Skipped atom 407, because occupancy 0.39 <= existing 0.610001 Skipped atom 409, because occupancy 0.39 <= existing 0.610001 Skipped atom 823, because occupancy 0.35 <= existing 0.650001 Skipped atom 825, because occupancy 0.35 <= existing 0.650001 Skipped atom 827, because occupancy 0.35 <= existing 0.650001 Skipped atom 829, because occupancy 0.35 <= existing 0.650001 Skipped atom 908, because occupancy 0.44 <= existing 0.560001 Skipped atom 910, because occupancy 0.44 <= existing 0.560001 Skipped atom 1049, because occupancy 0.36 <= existing 0.640001 Skipped atom 1051, because occupancy 0.36 <= existing 0.640001 Skipped atom 1053, because occupancy 0.36 <= existing 0.640001 Skipped atom 1055, because occupancy 0.36 <= existing 0.640001 Skipped atom 1057, because occupancy 0.36 <= existing 0.640001 Skipped atom 1312, because occupancy 0.42 <= existing 0.580001 Skipped atom 1314, because occupancy 0.42 <= existing 0.580001 Skipped atom 1316, because occupancy 0.42 <= existing 0.580001 Skipped atom 1318, because occupancy 0.42 <= existing 0.580001 Skipped atom 1320, because occupancy 0.42 <= existing 0.580001 Skipped atom 1533, because occupancy 0.46 <= existing 0.540001 Skipped atom 1535, because occupancy 0.46 <= existing 0.540001 Skipped atom 1537, because occupancy 0.46 <= existing 0.540001 Skipped atom 1539, because occupancy 0.46 <= existing 0.540001 Skipped atom 1541, because occupancy 0.46 <= existing 0.540001 Skipped atom 1543, because occupancy 0.46 <= existing 0.540001 Skipped atom 1545, because occupancy 0.46 <= existing 0.540001 Skipped atom 1839, because occupancy 0.41 <= existing 0.590001 Skipped atom 1841, because occupancy 0.41 <= existing 0.590001 Skipped atom 1843, because occupancy 0.41 <= existing 0.590001 Skipped atom 1845, because occupancy 0.41 <= existing 0.590001 # found chain 1g60A in template set T0187 59 :VLGKKIRKG 1g60A 60 :VLDKLDKDG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.41491 Ang I7.CG2 and R8.N Number of specific fragments= 1 total=1542 # 1dmuA.59.61 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 59 :VLGKKIRKG 1dmuA 62 :FWMNYPPLD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1543 # 1b35B.59.59 read from T0187.t2k.frag # adding 1b35B to template set 1b35B:# found chain 1b35B in template set T0187 59 :VLGKKIRKG 1b35B 75 :FLSRPIIIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1544 # 1jcjA.60.63 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 60 :LGKKIRKGV 1jcjA 63 :QGTPEIRIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1545 # 1jclA.60.63 read from T0187.t2k.frag # found chain 1jclA in training set T0187 60 :LGKKIRKGV 1jclA 63 :QGTPEIRIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1546 # 1euvA.60.60 read from T0187.t2k.frag # found chain 1euvA in template set T0187 60 :LGKKIRKGV 1euvA 461 :IEKSTPNTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1547 # 1g60A.60.60 read from T0187.t2k.frag # found chain 1g60A in template set T0187 60 :LGKKIRKGV 1g60A 61 :LDKLDKDGS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.41491 Ang I6.CG2 and R7.N Number of specific fragments= 1 total=1548 # 1g6aA.60.63 read from T0187.t2k.frag # adding 1g6aA to template set 1g6aA:Skipped atom 892, because occupancy 0.25 <= existing 0.500001 Skipped atom 1029, because occupancy 0.5 <= existing 0.500001 Skipped atom 1031, because occupancy 0.5 <= existing 0.500001 Skipped atom 1033, because occupancy 0.5 <= existing 0.500001 Skipped atom 1035, because occupancy 0.5 <= existing 0.500001 Skipped atom 1111, because occupancy 0.5 <= existing 0.500001 Skipped atom 1113, because occupancy 0.5 <= existing 0.500001 Skipped atom 1115, because occupancy 0.5 <= existing 0.500001 Skipped atom 1262, because occupancy 0.5 <= existing 0.500001 Skipped atom 1276, because occupancy 0.5 <= existing 0.500001 Skipped atom 1278, because occupancy 0.5 <= existing 0.500001 Skipped atom 1280, because occupancy 0.5 <= existing 0.500001 Skipped atom 1338, because occupancy 0.5 <= existing 0.500001 # found chain 1g6aA in template set T0187 60 :LGKKIRKGV 1g6aA 86 :QGKVNPNST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1549 # 1dmuA.60.62 read from T0187.t2k.frag # found chain 1dmuA in template set T0187 60 :LGKKIRKGV 1dmuA 63 :WMNYPPLDR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1550 # 1jcjA.61.64 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 61 :GKKIRKGVV 1jcjA 64 :GTPEIRIAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1551 # 1jclA.61.64 read from T0187.t2k.frag # found chain 1jclA in training set T0187 61 :GKKIRKGVV 1jclA 64 :GTPEIRIAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1552 # 1g60A.61.61 read from T0187.t2k.frag # found chain 1g60A in template set T0187 61 :GKKIRKGVV 1g60A 62 :DKLDKDGSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.41491 Ang I5.CG2 and R6.N Number of specific fragments= 1 total=1553 # 1euvA.61.61 read from T0187.t2k.frag # found chain 1euvA in template set T0187 61 :GKKIRKGVV 1euvA 462 :EKSTPNTVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1554 # 1g6aA.61.64 read from T0187.t2k.frag # found chain 1g6aA in template set T0187 61 :GKKIRKGVV 1g6aA 87 :GKVNPNSTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1555 # 1h2rS.61.63 read from T0187.t2k.frag # adding 1h2rS to template set 1h2rS:# found chain 1h2rS in template set T0187 61 :GKKIRKGVV 1h2rS 64 :VNSPHGFIA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28532 Ang R6.O and K7.CB neighbor-bump: 2.63936 Ang R6.C and K7.CB Number of specific fragments= 1 total=1556 # 1jcjA.62.65 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 62 :KKIRKGVVV 1jcjA 65 :TPEIRIATV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1557 # 1jclA.62.65 read from T0187.t2k.frag # found chain 1jclA in training set T0187 62 :KKIRKGVVV 1jclA 65 :TPEIRIATV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1558 # 1g60A.62.62 read from T0187.t2k.frag # found chain 1g60A in template set T0187 62 :KKIRKGVVV 1g60A 63 :KLDKDGSLY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.41491 Ang I4.CG2 and R5.N Number of specific fragments= 1 total=1559 # 1euvA.62.62 read from T0187.t2k.frag # found chain 1euvA in template set T0187 62 :KKIRKGVVV 1euvA 463 :KSTPNTVAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1560 # 1h2rS.62.64 read from T0187.t2k.frag # found chain 1h2rS in template set T0187 62 :KKIRKGVVV 1h2rS 65 :NSPHGFIAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28532 Ang R5.O and K6.CB neighbor-bump: 2.63936 Ang R5.C and K6.CB Number of specific fragments= 1 total=1561 # 1fb6A.62.69 read from T0187.t2k.frag # adding 1fb6A to template set 1fb6A:# found chain 1fb6A in template set T0187 62 :KKIRKGVVV 1fb6A 77 :IRSIPTVLF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.66802 Ang K2.NZ and V9.CG2 other bump:3.33697 Ang K2.NZ and V9.CG1 Number of specific fragments= 1 total=1562 # 1jcjA.63.66 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 63 :KIRKGVVVT 1jcjA 66 :PEIRIATVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1563 # 1jclA.63.66 read from T0187.t2k.frag # found chain 1jclA in training set T0187 63 :KIRKGVVVT 1jclA 66 :PEIRIATVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1564 # 1g60A.63.63 read from T0187.t2k.frag # found chain 1g60A in template set T0187 63 :KIRKGVVVT 1g60A 64 :LDKDGSLYI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50645 Ang K2.CE and V8.CG2 other bump:2.5643 Ang K2.NZ and V8.CG2 other bump:2.6909 Ang K2.CD and V8.CG2 neighbor-bump: 2.41491 Ang I3.CG2 and R4.N Number of specific fragments= 1 total=1565 # 1f3lA.63.65 read from T0187.t2k.frag # adding 1f3lA to template set 1f3lA:# found chain 1f3lA in template set T0187 63 :KIRKGVVVT 1f3lA 273 :AGAKKVIAV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05523 Ang R4.CD and V7.CG2 neighbor-bump: 2.12177 Ang K2.O and I3.CD1 neighbor-bump: 1.61961 Ang K2.O and I3.CG1 neighbor-bump: 2.37199 Ang K2.C and I3.CG1 neighbor-bump: 1.6979 Ang K2.O and I3.CB neighbor-bump: 2.28128 Ang K2.C and I3.CB Number of specific fragments= 1 total=1566 # 1fb6A.63.70 read from T0187.t2k.frag # found chain 1fb6A in template set T0187 63 :KIRKGVVVT 1fb6A 78 :RSIPTVLFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1567 # 1h2rS.63.65 read from T0187.t2k.frag # found chain 1h2rS in template set T0187 63 :KIRKGVVVT 1h2rS 66 :SPHGFIAVV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28532 Ang R4.O and K5.CB neighbor-bump: 2.63936 Ang R4.C and K5.CB Number of specific fragments= 1 total=1568 # 1jcjA.64.67 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 64 :IRKGVVVTK 1jcjA 67 :EIRIATVTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1569 # 1jclA.64.67 read from T0187.t2k.frag # found chain 1jclA in training set T0187 64 :IRKGVVVTK 1jclA 67 :EIRIATVTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1570 # 1g60A.64.64 read from T0187.t2k.frag # found chain 1g60A in template set T0187 64 :IRKGVVVTK 1g60A 65 :DKDGSLYIF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53296 Ang I2.CG2 and R3.N Number of specific fragments= 1 total=1571 # 1f3lA.64.66 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 64 :IRKGVVVTK 1f3lA 274 :GAKKVIAVD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05523 Ang R3.CD and V6.CG2 neighbor-bump: 2.69184 Ang G1.C and I2.CG1 Number of specific fragments= 1 total=1572 # 1fb6A.64.71 read from T0187.t2k.frag # found chain 1fb6A in template set T0187 64 :IRKGVVVTK 1fb6A 79 :SIPTVLFFK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1573 # 1h2rS.64.66 read from T0187.t2k.frag # found chain 1h2rS in template set T0187 64 :IRKGVVVTK 1h2rS 67 :PHGFIAVVE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28533 Ang R3.O and K4.CB neighbor-bump: 2.63937 Ang R3.C and K4.CB Number of specific fragments= 1 total=1574 # 1jcjA.65.68 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 65 :RKGVVVTKY 1jcjA 68 :IRIATVTNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1575 # 1jclA.65.68 read from T0187.t2k.frag # found chain 1jclA in training set T0187 65 :RKGVVVTKY 1jclA 68 :IRIATVTNF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01256 Ang Y10.CD1 and G11.CA Number of specific fragments= 1 total=1576 # 1g60A.65.65 read from T0187.t2k.frag # found chain 1g60A in template set T0187 65 :RKGVVVTKY 1g60A 66 :KDGSLYIFN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95647 Ang T8.CG2 and Y10.OH other bump:2.2189 Ang T8.CG2 and Y10.CZ other bump:2.88313 Ang T8.CB and Y10.CE1 other bump:2.02023 Ang T8.CG2 and Y10.CE1 neighbor-bump: 2.52079 Ang K9.O and Y10.CD1 neighbor-bump: 2.80722 Ang K9.C and Y10.CD1 Number of specific fragments= 1 total=1577 # 1f3lA.65.67 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 65 :RKGVVVTKY 1f3lA 275 :AKKVIAVDQ Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60736 Ang R2.CG and V5.CG2 other bump:1.11126 Ang R2.CD and V5.CG2 other bump:1.64849 Ang R2.NE and V5.CG2 other bump:2.20648 Ang R2.CZ and V5.CG2 other bump:2.30369 Ang R2.NH1 and V5.CG2 other bump:3.02144 Ang R2.NE and V5.CG1 other bump:2.37753 Ang R2.CD and V5.CB other bump:2.77431 Ang R2.NE and V5.CB other bump:2.82881 Ang R2.CD and V5.CA other bump:2.91235 Ang R2.CD and V5.N other bump:3.06702 Ang R2.CG and G4.C other bump:2.98273 Ang R2.CD and G4.C Number of specific fragments= 1 total=1578 # 1dxeA.65.69 read from T0187.t2k.frag # adding 1dxeA to template set 1dxeA:# found chain 1dxeA in template set T0187 65 :RKGVVVTKY 1dxeA 70 :SAPVVRVPT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6605 Ang K9.O and Y10.CD1 Number of specific fragments= 1 total=1579 # 1h2rS.65.67 read from T0187.t2k.frag # found chain 1h2rS in template set T0187 65 :RKGVVVTKY 1h2rS 68 :HGFIAVVEG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52259 Ang K9.CD and Y10.CE1 neighbor-bump: 2.48319 Ang K9.CG and Y10.CE1 neighbor-bump: 2.2767 Ang K9.O and Y10.CD1 neighbor-bump: 2.5857 Ang K9.C and Y10.CD1 neighbor-bump: 2.28533 Ang R2.O and K3.CB neighbor-bump: 2.63937 Ang R2.C and K3.CB Number of specific fragments= 1 total=1580 # 1jcjA.66.69 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 66 :KGVVVTKYG 1jcjA 69 :RIATVTNFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1581 # 1jclA.66.69 read from T0187.t2k.frag # found chain 1jclA in training set T0187 66 :KGVVVTKYG 1jclA 69 :RIATVTNFP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01256 Ang Y9.CD1 and G10.CA Number of specific fragments= 1 total=1582 # 1f3lA.66.68 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 66 :KGVVVTKYG 1f3lA 276 :KKVIAVDQS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1583 # 1g60A.66.66 read from T0187.t2k.frag # found chain 1g60A in template set T0187 66 :KGVVVTKYG 1g60A 67 :DGSLYIFNT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29524 Ang T7.CG2 and Y9.OH other bump:2.40964 Ang T7.CG2 and Y9.CZ other bump:2.90052 Ang T7.CB and Y9.CE1 other bump:1.86948 Ang T7.CG2 and Y9.CE1 neighbor-bump: 2.1169 Ang K8.O and Y9.CD1 neighbor-bump: 2.48418 Ang K8.C and Y9.CD1 neighbor-bump: 2.50746 Ang K8.O and Y9.CG Number of specific fragments= 1 total=1584 # 1eiwA.66.68 read from T0187.t2k.frag # adding 1eiwA to template set 1eiwA:# found chain 1eiwA in template set T0187 66 :KGVVVTKYG 1eiwA 69 :PIITVRPYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1585 # 1h2rS.66.68 read from T0187.t2k.frag # found chain 1h2rS in template set T0187 66 :KGVVVTKYG 1h2rS 69 :GFIAVVEGG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48318 Ang K8.CG and Y9.CE1 neighbor-bump: 2.52259 Ang K8.CD and Y9.CE1 neighbor-bump: 2.27671 Ang K8.O and Y9.CD1 neighbor-bump: 2.5857 Ang K8.C and Y9.CD1 neighbor-bump: 1.97601 Ang G1.O and K2.CG neighbor-bump: 2.80875 Ang G1.C and K2.CG Number of specific fragments= 1 total=1586 # 1jcjA.67.70 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 67 :GVVVTKYGH 1jcjA 70 :IATVTNFPH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1587 # 1jclA.67.70 read from T0187.t2k.frag # found chain 1jclA in training set T0187 67 :GVVVTKYGH 1jclA 70 :IATVTNFPH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01256 Ang Y8.CD1 and G9.CA Number of specific fragments= 1 total=1588 # 1f3lA.67.69 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 67 :GVVVTKYGH 1f3lA 277 :KVIAVDQSE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1589 # 1eiwA.67.69 read from T0187.t2k.frag # found chain 1eiwA in template set T0187 67 :GVVVTKYGH 1eiwA 70 :IITVRPYGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1590 # 1h2rS.67.69 read from T0187.t2k.frag # found chain 1h2rS in template set T0187 67 :GVVVTKYGH 1h2rS 70 :FIAVVEGGI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48318 Ang K7.CG and Y8.CE1 neighbor-bump: 2.52259 Ang K7.CD and Y8.CE1 neighbor-bump: 2.5857 Ang K7.C and Y8.CD1 neighbor-bump: 2.27671 Ang K7.O and Y8.CD1 Number of specific fragments= 1 total=1591 # 1g60A.67.67 read from T0187.t2k.frag # found chain 1g60A in template set T0187 67 :GVVVTKYGH 1g60A 68 :GSLYIFNTP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29524 Ang T6.CG2 and Y8.OH other bump:2.40964 Ang T6.CG2 and Y8.CZ other bump:2.90052 Ang T6.CB and Y8.CE1 other bump:1.86948 Ang T6.CG2 and Y8.CE1 neighbor-bump: 2.1169 Ang K7.O and Y8.CD1 neighbor-bump: 2.48418 Ang K7.C and Y8.CD1 neighbor-bump: 2.50746 Ang K7.O and Y8.CG Number of specific fragments= 1 total=1592 # 1jcjA.68.71 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 68 :VVVTKYGHS 1jcjA 71 :ATVTNFPHG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.47874 Ang H9.O and S10.OG neighbor-bump: 2.15209 Ang H9.C and S10.OG neighbor-bump: 2.57548 Ang H9.C and S10.CB Number of specific fragments= 1 total=1593 # 1jclA.68.71 read from T0187.t2k.frag # found chain 1jclA in training set T0187 68 :VVVTKYGHS 1jclA 71 :ATVTNFPHG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01256 Ang Y7.CD1 and G8.CA Number of specific fragments= 1 total=1594 # 1f3lA.68.70 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 68 :VVVTKYGHS 1f3lA 278 :VIAVDQSEI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.462 Ang K6.NZ and S10.OG other bump:2.70501 Ang K6.CE and S10.OG Number of specific fragments= 1 total=1595 # 1eiwA.68.70 read from T0187.t2k.frag # found chain 1eiwA in template set T0187 68 :VVVTKYGHS 1eiwA 71 :ITVRPYGLE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.86036 Ang K6.NZ and S10.OG other bump:2.06298 Ang K6.CD and S10.OG other bump:2.28022 Ang K6.CE and S10.OG other bump:2.36182 Ang K6.NZ and S10.CB Number of specific fragments= 1 total=1596 # 1hj8A.68.68 read from T0187.t2k.frag # adding 1hj8A to template set 1hj8A:Skipped atom 159, because occupancy 0.5 <= existing 0.500001 Skipped atom 160, because occupancy 0.5 <= existing 0.500001 Skipped atom 161, because occupancy 0.5 <= existing 0.500001 Skipped atom 162, because occupancy 0.5 <= existing 0.500001 Skipped atom 163, because occupancy 0.5 <= existing 0.500001 Skipped atom 164, because occupancy 0.5 <= existing 0.500001 Skipped atom 278, because occupancy 0.3 <= existing 0.700001 Skipped atom 279, because occupancy 0.3 <= existing 0.700001 Skipped atom 280, because occupancy 0.3 <= existing 0.700001 Skipped atom 281, because occupancy 0.3 <= existing 0.700001 Skipped atom 282, because occupancy 0.3 <= existing 0.700001 Skipped atom 283, because occupancy 0.3 <= existing 0.700001 Skipped atom 284, because occupancy 0.3 <= existing 0.700001 Skipped atom 285, because occupancy 0.3 <= existing 0.700001 Skipped atom 321, because occupancy 0.4 <= existing 0.600001 Skipped atom 322, because occupancy 0.4 <= existing 0.600001 Skipped atom 323, because occupancy 0.4 <= existing 0.600001 Skipped atom 324, because occupancy 0.4 <= existing 0.600001 Skipped atom 325, because occupancy 0.4 <= existing 0.600001 Skipped atom 326, because occupancy 0.4 <= existing 0.600001 Skipped atom 404, because occupancy 0.25 <= existing 0.750001 Skipped atom 405, because occupancy 0.25 <= existing 0.750001 Skipped atom 406, because occupancy 0.25 <= existing 0.750001 Skipped atom 407, because occupancy 0.25 <= existing 0.750001 Skipped atom 408, because occupancy 0.25 <= existing 0.750001 Skipped atom 409, because occupancy 0.25 <= existing 0.750001 Skipped atom 670, because occupancy 0.3 <= existing 0.700001 Skipped atom 671, because occupancy 0.3 <= existing 0.700001 Skipped atom 672, because occupancy 0.3 <= existing 0.700001 Skipped atom 673, because occupancy 0.3 <= existing 0.700001 Skipped atom 674, because occupancy 0.3 <= existing 0.700001 Skipped atom 675, because occupancy 0.3 <= existing 0.700001 Skipped atom 676, because occupancy 0.3 <= existing 0.700001 Skipped atom 677, because occupancy 0.3 <= existing 0.700001 Skipped atom 678, because occupancy 0.3 <= existing 0.700001 Skipped atom 702, because occupancy 0.2 <= existing 0.800001 Skipped atom 703, because occupancy 0.2 <= existing 0.800001 Skipped atom 704, because occupancy 0.2 <= existing 0.800001 Skipped atom 705, because occupancy 0.2 <= existing 0.800001 Skipped atom 706, because occupancy 0.2 <= existing 0.800001 Skipped atom 707, because occupancy 0.2 <= existing 0.800001 Skipped atom 980, because occupancy 0.23 <= existing 0.760001 Skipped atom 981, because occupancy 0.23 <= existing 0.760001 Skipped atom 982, because occupancy 0.23 <= existing 0.760001 Skipped atom 983, because occupancy 0.23 <= existing 0.760001 Skipped atom 984, because occupancy 0.23 <= existing 0.760001 Skipped atom 985, because occupancy 0.23 <= existing 0.760001 Skipped atom 1071, because occupancy 0.25 <= existing 0.750001 Skipped atom 1072, because occupancy 0.25 <= existing 0.750001 Skipped atom 1073, because occupancy 0.25 <= existing 0.750001 Skipped atom 1074, because occupancy 0.25 <= existing 0.750001 Skipped atom 1075, because occupancy 0.25 <= existing 0.750001 Skipped atom 1076, because occupancy 0.25 <= existing 0.750001 Skipped atom 1258, because occupancy 0.3 <= existing 0.700001 Skipped atom 1259, because occupancy 0.3 <= existing 0.700001 Skipped atom 1260, because occupancy 0.3 <= existing 0.700001 Skipped atom 1261, because occupancy 0.3 <= existing 0.700001 Skipped atom 1262, because occupancy 0.3 <= existing 0.700001 Skipped atom 1263, because occupancy 0.3 <= existing 0.700001 Skipped atom 1652, because occupancy 0.25 <= existing 0.750001 Skipped atom 1653, because occupancy 0.25 <= existing 0.750001 Skipped atom 1654, because occupancy 0.25 <= existing 0.750001 Skipped atom 1655, because occupancy 0.25 <= existing 0.750001 Skipped atom 1656, because occupancy 0.25 <= existing 0.750001 Skipped atom 1657, because occupancy 0.25 <= existing 0.750001 Skipped atom 1658, because occupancy 0.25 <= existing 0.750001 Skipped atom 1659, because occupancy 0.25 <= existing 0.750001 Skipped atom 1660, because occupancy 0.25 <= existing 0.750001 Skipped atom 1869, because occupancy 0.32 <= existing 0.680001 Skipped atom 1870, because occupancy 0.32 <= existing 0.680001 Skipped atom 1871, because occupancy 0.32 <= existing 0.680001 Skipped atom 1872, because occupancy 0.32 <= existing 0.680001 Skipped atom 1873, because occupancy 0.32 <= existing 0.680001 Skipped atom 1874, because occupancy 0.32 <= existing 0.680001 Skipped atom 1875, because occupancy 0.32 <= existing 0.680001 Skipped atom 1960, because occupancy 0.4 <= existing 0.600001 Skipped atom 1961, because occupancy 0.4 <= existing 0.600001 Skipped atom 1962, because occupancy 0.4 <= existing 0.600001 Skipped atom 1963, because occupancy 0.4 <= existing 0.600001 Skipped atom 1964, because occupancy 0.4 <= existing 0.600001 Skipped atom 1965, because occupancy 0.4 <= existing 0.600001 Skipped atom 1966, because occupancy 0 <= existing 0.400001 Skipped atom 1967, because occupancy 0.4 <= existing 0.600001 Skipped atom 2024, because occupancy 0.5 <= existing 0.500001 Skipped atom 2025, because occupancy 0.5 <= existing 0.500001 Skipped atom 2026, because occupancy 0.5 <= existing 0.500001 Skipped atom 2027, because occupancy 0.5 <= existing 0.500001 Skipped atom 2028, because occupancy 0.5 <= existing 0.500001 Skipped atom 2029, because occupancy 0.5 <= existing 0.500001 Skipped atom 2161, because occupancy 0.1 <= existing 0.900001 Skipped atom 2162, because occupancy 0.1 <= existing 0.900001 Skipped atom 2163, because occupancy 0.1 <= existing 0.900001 Skipped atom 2164, because occupancy 0.1 <= existing 0.900001 Skipped atom 2165, because occupancy 0.1 <= existing 0.900001 Skipped atom 2166, because occupancy 0.1 <= existing 0.900001 Skipped atom 2256, because occupancy 0.15 <= existing 0.850001 Skipped atom 2257, because occupancy 0.15 <= existing 0.850001 Skipped atom 2258, because occupancy 0.15 <= existing 0.850001 Skipped atom 2259, because occupancy 0.15 <= existing 0.850001 Skipped atom 2260, because occupancy 0.15 <= existing 0.850001 Skipped atom 2261, because occupancy 0.15 <= existing 0.850001 Skipped atom 2262, because occupancy 0.15 <= existing 0.850001 Skipped atom 2263, because occupancy 0.15 <= existing 0.850001 Skipped atom 2356, because occupancy 0.1 <= existing 0.900001 Skipped atom 2357, because occupancy 0.1 <= existing 0.900001 Skipped atom 2358, because occupancy 0.1 <= existing 0.900001 Skipped atom 2359, because occupancy 0.1 <= existing 0.900001 Skipped atom 2360, because occupancy 0.1 <= existing 0.900001 Skipped atom 2361, because occupancy 0.1 <= existing 0.900001 Skipped atom 2508, because occupancy 0.4 <= existing 0.600001 Skipped atom 2509, because occupancy 0.4 <= existing 0.600001 Skipped atom 2510, because occupancy 0.4 <= existing 0.600001 Skipped atom 2511, because occupancy 0.4 <= existing 0.600001 Skipped atom 2512, because occupancy 0.4 <= existing 0.600001 Skipped atom 2513, because occupancy 0.4 <= existing 0.600001 Skipped atom 2514, because occupancy 0.4 <= existing 0.600001 Skipped atom 2515, because occupancy 0.4 <= existing 0.600001 Skipped atom 2735, because occupancy 0.5 <= existing 0.500001 Skipped atom 2736, because occupancy 0.5 <= existing 0.500001 Skipped atom 2737, because occupancy 0.5 <= existing 0.500001 Skipped atom 2738, because occupancy 0.5 <= existing 0.500001 Skipped atom 2739, because occupancy 0.5 <= existing 0.500001 Skipped atom 2740, because occupancy 0.5 <= existing 0.500001 Skipped atom 2741, because occupancy 0 <= existing 1e-06 Skipped atom 2742, because occupancy 0 <= existing 1e-06 Skipped atom 2743, because occupancy 0 <= existing 1e-06 Skipped atom 3040, because occupancy 0.2 <= existing 0.800001 Skipped atom 3041, because occupancy 0.2 <= existing 0.800001 Skipped atom 3042, because occupancy 0.2 <= existing 0.800001 Skipped atom 3043, because occupancy 0.2 <= existing 0.800001 Skipped atom 3044, because occupancy 0.2 <= existing 0.800001 Skipped atom 3045, because occupancy 0.2 <= existing 0.800001 Skipped atom 3110, because occupancy 0.5 <= existing 0.500001 Skipped atom 3111, because occupancy 0.5 <= existing 0.500001 Skipped atom 3112, because occupancy 0.5 <= existing 0.500001 Skipped atom 3113, because occupancy 0.5 <= existing 0.500001 Skipped atom 3114, because occupancy 0.5 <= existing 0.500001 Skipped atom 3115, because occupancy 0.5 <= existing 0.500001 Skipped atom 3116, because occupancy 0.5 <= existing 0.500001 Skipped atom 3117, because occupancy 0.5 <= existing 0.500001 Skipped atom 3370, because occupancy 0.3 <= existing 0.700001 Skipped atom 3371, because occupancy 0.3 <= existing 0.700001 Skipped atom 3372, because occupancy 0.3 <= existing 0.700001 Skipped atom 3373, because occupancy 0.3 <= existing 0.700001 Skipped atom 3374, because occupancy 0.3 <= existing 0.700001 Skipped atom 3375, because occupancy 0.3 <= existing 0.700001 # found chain 1hj8A in template set T0187 68 :VVVTKYGHS 1hj8A 87 :RVIRHPNYS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1597 # 2tbs.68.68 read from T0187.t2k.frag # adding 2tbs to template set 2tbs:WARNING: atom 1246 has residue number 185 < previous residue 1184 WARNING: atom 1280 has residue number 189 < previous residue 1188 WARNING: atom 1478 has residue number 222 < previous residue 1221 # found chain 2tbs in template set T0187 68 :VVVTKYGHS 2tbs 87 :RVIRHPNYS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1598 # 1jclA.69.72 read from T0187.t2k.frag # found chain 1jclA in training set T0187 69 :VVTKYGHSE 1jclA 72 :TVTNFPHGN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01256 Ang Y6.CD1 and G7.CA Number of specific fragments= 1 total=1599 # 1jcjA.69.72 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 69 :VVTKYGHSE 1jcjA 72 :TVTNFPHGN Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48738 Ang H8.CB and E10.OE2 other bump:1.62365 Ang H8.CG and E10.OE2 other bump:2.36302 Ang H8.ND1 and E10.OE2 other bump:1.56114 Ang H8.CD2 and E10.OE2 other bump:2.34156 Ang H8.CG and E10.OE1 other bump:1.10443 Ang H8.CD2 and E10.OE1 other bump:1.96664 Ang H8.NE2 and E10.OE1 other bump:3.00784 Ang H8.CB and E10.CD other bump:2.14062 Ang H8.CG and E10.CD other bump:1.3562 Ang H8.CD2 and E10.CD other bump:2.85298 Ang H8.CD2 and E10.CG neighbor-bump: 1.47874 Ang H8.O and S9.OG neighbor-bump: 2.1521 Ang H8.C and S9.OG neighbor-bump: 2.57549 Ang H8.C and S9.CB Number of specific fragments= 1 total=1600 # 2tbs.69.69 read from T0187.t2k.frag # found chain 2tbs in template set T0187 69 :VVTKYGHSE 2tbs 88 :VIRHPNYSS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1601 # 1hj8A.69.69 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 69 :VVTKYGHSE 1hj8A 88 :VIRHPNYSS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1602 # 1f3lA.69.71 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 69 :VVTKYGHSE 1f3lA 279 :IAVDQSEIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1603 # 1eiwA.69.71 read from T0187.t2k.frag # found chain 1eiwA in template set T0187 69 :VVTKYGHSE 1eiwA 72 :TVRPYGLEN Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.86036 Ang K5.NZ and S9.OG other bump:2.06298 Ang K5.CD and S9.OG other bump:2.28022 Ang K5.CE and S9.OG other bump:2.36182 Ang K5.NZ and S9.CB Number of specific fragments= 1 total=1604 # 1jclA.70.73 read from T0187.t2k.frag # found chain 1jclA in training set T0187 70 :VTKYGHSEG 1jclA 73 :VTNFPHGND Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01256 Ang Y5.CD1 and G6.CA Number of specific fragments= 1 total=1605 # 1jcjA.70.73 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 70 :VTKYGHSEG 1jcjA 73 :VTNFPHGND Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48739 Ang H7.CB and E9.OE2 other bump:1.62366 Ang H7.CG and E9.OE2 other bump:2.36303 Ang H7.ND1 and E9.OE2 other bump:1.56114 Ang H7.CD2 and E9.OE2 other bump:2.34156 Ang H7.CG and E9.OE1 other bump:1.10443 Ang H7.CD2 and E9.OE1 other bump:1.96664 Ang H7.NE2 and E9.OE1 other bump:3.00785 Ang H7.CB and E9.CD other bump:2.14062 Ang H7.CG and E9.CD other bump:1.35621 Ang H7.CD2 and E9.CD other bump:2.85298 Ang H7.CD2 and E9.CG neighbor-bump: 1.47874 Ang H7.O and S8.OG neighbor-bump: 2.1521 Ang H7.C and S8.OG neighbor-bump: 2.57549 Ang H7.C and S8.CB Number of specific fragments= 1 total=1606 # 2tbs.70.70 read from T0187.t2k.frag # found chain 2tbs in template set T0187 70 :VTKYGHSEG 2tbs 89 :IRHPNYSSY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.77282 Ang H7.CD2 and E9.OE2 other bump:2.25949 Ang H7.CE1 and E9.OE2 other bump:0.995339 Ang H7.NE2 and E9.OE2 other bump:2.89893 Ang H7.CD2 and E9.CD Number of specific fragments= 1 total=1607 # 1hj8A.70.70 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 70 :VTKYGHSEG 1hj8A 89 :IRHPNYSSY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08266 Ang H7.CD2 and E9.OE2 other bump:1.05072 Ang H7.NE2 and E9.OE2 other bump:2.17273 Ang H7.CE1 and E9.OE2 Number of specific fragments= 1 total=1608 # 1a73A.70.72 read from T0187.t2k.frag # adding 1a73A to template set 1a73A:# found chain 1a73A in template set T0187 70 :VTKYGHSEG 1a73A 73 :HRWGSHTVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1609 # 1el6B.70.71 read from T0187.t2k.frag # adding 1el6B to template set 1el6B:# found chain 1el6B in template set T0187 70 :VTKYGHSEG 1el6B 72 :TNKTGVSPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1610 # 1jclA.71.74 read from T0187.t2k.frag # found chain 1jclA in training set T0187 71 :TKYGHSEGP 1jclA 74 :TNFPHGNDD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5694 Ang G9.N and P10.CD neighbor-bump: 3.01256 Ang Y4.CD1 and G5.CA Number of specific fragments= 1 total=1611 # 1jcjA.71.74 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 71 :TKYGHSEGP 1jcjA 74 :TNFPHGNDD Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.57135 Ang G9.N and P10.CD other bump:2.48739 Ang H6.CB and E8.OE2 other bump:1.62366 Ang H6.CG and E8.OE2 other bump:2.36303 Ang H6.ND1 and E8.OE2 other bump:1.56114 Ang H6.CD2 and E8.OE2 other bump:2.34156 Ang H6.CG and E8.OE1 other bump:1.10443 Ang H6.CD2 and E8.OE1 other bump:1.96664 Ang H6.NE2 and E8.OE1 other bump:3.00785 Ang H6.CB and E8.CD other bump:2.14062 Ang H6.CG and E8.CD other bump:1.35621 Ang H6.CD2 and E8.CD other bump:2.85298 Ang H6.CD2 and E8.CG neighbor-bump: 1.47874 Ang H6.O and S7.OG neighbor-bump: 2.1521 Ang H6.C and S7.OG neighbor-bump: 2.57549 Ang H6.C and S7.CB Number of specific fragments= 1 total=1612 # 1a73A.71.73 read from T0187.t2k.frag # found chain 1a73A in template set T0187 71 :TKYGHSEGP 1a73A 74 :RWGSHTVPF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90737 Ang E8.C and P10.CD neighbor-bump: 2.21687 Ang G9.N and P10.CD neighbor-bump: 2.08085 Ang G9.CA and P10.CD neighbor-bump: 1.7484 Ang G9.C and P10.CD self-bump: 1.24657 Ang P10.N and P10.CD self-bump: 2.09886 Ang P10.N and P10.CG Number of specific fragments= 1 total=1613 # 2tbs.71.71 read from T0187.t2k.frag # found chain 2tbs in template set T0187 71 :TKYGHSEGP 2tbs 90 :RHPNYSSYN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.08752 Ang G9.CA and P10.CD neighbor-bump: 1.84543 Ang G9.C and P10.CD self-bump: 1.29275 Ang P10.N and P10.CD self-bump: 2.1395 Ang P10.N and P10.CG other bump:1.77282 Ang H6.CD2 and E8.OE2 other bump:2.25949 Ang H6.CE1 and E8.OE2 other bump:0.995339 Ang H6.NE2 and E8.OE2 other bump:2.89893 Ang H6.CD2 and E8.CD Number of specific fragments= 1 total=1614 # 1hj8A.71.71 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 71 :TKYGHSEGP 1hj8A 90 :RHPNYSSYN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44421 Ang G9.N and P10.CD neighbor-bump: 1.97549 Ang G9.CA and P10.CD neighbor-bump: 1.53679 Ang G9.C and P10.CD self-bump: 1.29945 Ang P10.N and P10.CD neighbor-bump: 2.68317 Ang G9.C and P10.CG self-bump: 2.17754 Ang P10.N and P10.CG other bump:2.08266 Ang H6.CD2 and E8.OE2 other bump:1.05072 Ang H6.NE2 and E8.OE2 other bump:2.17273 Ang H6.CE1 and E8.OE2 Number of specific fragments= 1 total=1615 # 1el6A.71.72 read from T0187.t2k.frag # adding 1el6A to template set 1el6A:# found chain 1el6A in template set T0187 71 :TKYGHSEGP 1el6A 73 :NKTGVSPEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1616 # 1jcjA.72.75 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 72 :KYGHSEGPI 1jcjA 75 :NFPHGNDDI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48739 Ang H5.CB and E7.OE2 other bump:1.62366 Ang H5.CG and E7.OE2 other bump:2.36303 Ang H5.ND1 and E7.OE2 other bump:1.56114 Ang H5.CD2 and E7.OE2 other bump:2.34156 Ang H5.CG and E7.OE1 other bump:1.10443 Ang H5.CD2 and E7.OE1 other bump:1.96664 Ang H5.NE2 and E7.OE1 other bump:3.00785 Ang H5.CB and E7.CD other bump:2.14062 Ang H5.CG and E7.CD other bump:1.35621 Ang H5.CD2 and E7.CD other bump:2.85298 Ang H5.CD2 and E7.CG neighbor-bump: 1.47874 Ang H5.O and S6.OG neighbor-bump: 2.1521 Ang H5.C and S6.OG neighbor-bump: 2.57549 Ang H5.C and S6.CB Number of specific fragments= 1 total=1617 # 1jclA.72.75 read from T0187.t2k.frag # found chain 1jclA in training set T0187 72 :KYGHSEGPI 1jclA 75 :NFPHGNDDI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0424 Ang E7.CB and P9.CD neighbor-bump: 3.01256 Ang Y3.CD1 and G4.CA Number of specific fragments= 1 total=1618 # 1a73A.72.74 read from T0187.t2k.frag # found chain 1a73A in template set T0187 72 :KYGHSEGPI 1a73A 75 :WGSHTVPFL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91459 Ang K2.NZ and I10.CD1 neighbor-bump: 2.21687 Ang G8.N and P9.CD other bump:2.90737 Ang E7.C and P9.CD neighbor-bump: 2.08085 Ang G8.CA and P9.CD neighbor-bump: 1.7484 Ang G8.C and P9.CD self-bump: 1.24656 Ang P9.N and P9.CD self-bump: 2.09886 Ang P9.N and P9.CG Number of specific fragments= 1 total=1619 # 1el6A.72.73 read from T0187.t2k.frag # found chain 1el6A in template set T0187 72 :KYGHSEGPI 1el6A 74 :KTGVSPEGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1620 # 1el6B.72.73 read from T0187.t2k.frag # found chain 1el6B in template set T0187 72 :KYGHSEGPI 1el6B 74 :KTGVSPEGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1621 # 2tbs.72.72 read from T0187.t2k.frag # found chain 2tbs in template set T0187 72 :KYGHSEGPI 2tbs 91 :HPNYSSYNI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.14779 Ang P9.CA and P9.CD self-bump: 2.0434 Ang P9.CA and P9.CG other bump:1.77282 Ang H5.CD2 and E7.OE2 other bump:2.25949 Ang H5.CE1 and E7.OE2 other bump:0.995339 Ang H5.NE2 and E7.OE2 other bump:2.89893 Ang H5.CD2 and E7.CD Number of specific fragments= 1 total=1622 # 1jcjA.73.76 read from T0187.t2k.frag # found chain 1jcjA in template set T0187 73 :YGHSEGPID 1jcjA 76 :FPHGNDDID Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48739 Ang H4.CB and E6.OE2 other bump:1.62366 Ang H4.CG and E6.OE2 other bump:2.36303 Ang H4.ND1 and E6.OE2 other bump:1.56114 Ang H4.CD2 and E6.OE2 other bump:2.34156 Ang H4.CG and E6.OE1 other bump:1.10443 Ang H4.CD2 and E6.OE1 other bump:1.96664 Ang H4.NE2 and E6.OE1 other bump:3.00785 Ang H4.CB and E6.CD other bump:2.14062 Ang H4.CG and E6.CD other bump:1.35621 Ang H4.CD2 and E6.CD other bump:2.85298 Ang H4.CD2 and E6.CG neighbor-bump: 1.47874 Ang H4.O and S5.OG neighbor-bump: 2.1521 Ang H4.C and S5.OG neighbor-bump: 2.57549 Ang H4.C and S5.CB Number of specific fragments= 1 total=1623 # 1jclA.73.76 read from T0187.t2k.frag # found chain 1jclA in training set T0187 73 :YGHSEGPID 1jclA 76 :FPHGNDDID Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.0424 Ang E6.CB and P8.CD neighbor-bump: 3.01256 Ang Y2.CD1 and G3.CA Number of specific fragments= 1 total=1624 # 1a73A.73.75 read from T0187.t2k.frag # found chain 1a73A in template set T0187 73 :YGHSEGPID 1a73A 76 :GSHTVPFLL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90737 Ang E6.C and P8.CD neighbor-bump: 2.21687 Ang G7.N and P8.CD neighbor-bump: 2.08085 Ang G7.CA and P8.CD neighbor-bump: 1.7484 Ang G7.C and P8.CD self-bump: 1.24656 Ang P8.N and P8.CD self-bump: 2.09886 Ang P8.N and P8.CG Number of specific fragments= 1 total=1625 # 1el6A.73.74 read from T0187.t2k.frag # found chain 1el6A in template set T0187 73 :YGHSEGPID 1el6A 75 :TGVSPEGVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1626 # 1el6B.73.74 read from T0187.t2k.frag # found chain 1el6B in template set T0187 73 :YGHSEGPID 1el6B 75 :TGVSPEGVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1627 # 2tbs.73.74 read from T0187.t2k.frag # found chain 2tbs in template set T0187 73 :YGHSEGPID 2tbs 93 :NYSSYNIDN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.20859 Ang P8.CA and P8.CD neighbor-bump: 2.23464 Ang G7.O and P8.CD neighbor-bump: 1.66583 Ang G7.C and P8.CD other bump:2.23485 Ang Y2.O and H4.CE1 other bump:2.34036 Ang Y2.O and H4.ND1 Number of specific fragments= 1 total=1628 # 1a73A.74.76 read from T0187.t2k.frag # found chain 1a73A in template set T0187 74 :GHSEGPIDD 1a73A 77 :SHTVPFLLE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.08085 Ang G6.CA and P7.CD neighbor-bump: 1.7484 Ang G6.C and P7.CD self-bump: 1.24656 Ang P7.N and P7.CD neighbor-bump: 2.21687 Ang G6.N and P7.CD other bump:2.90737 Ang E5.C and P7.CD self-bump: 2.09886 Ang P7.N and P7.CG Number of specific fragments= 1 total=1629 # 2tbs.74.75 read from T0187.t2k.frag # found chain 2tbs in template set T0187 74 :GHSEGPIDD 2tbs 94 :YSSYNIDND Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.20859 Ang P7.CA and P7.CD neighbor-bump: 1.66583 Ang G6.C and P7.CD neighbor-bump: 2.23464 Ang G6.O and P7.CD other bump:2.23485 Ang G1.O and H3.CE1 other bump:2.34036 Ang G1.O and H3.ND1 Number of specific fragments= 1 total=1630 # 1el6A.74.75 read from T0187.t2k.frag # found chain 1el6A in template set T0187 74 :GHSEGPIDD 1el6A 76 :GVSPEGVSQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1631 # 1el6B.74.75 read from T0187.t2k.frag # found chain 1el6B in template set T0187 74 :GHSEGPIDD 1el6B 76 :GVSPEGVSQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1632 # 1hj8A.74.75 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 74 :GHSEGPIDD 1hj8A 94 :YSSYNIDND Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21686 Ang P7.CA and P7.CD neighbor-bump: 1.65424 Ang G6.C and P7.CD neighbor-bump: 2.17189 Ang G6.O and P7.CD other bump:1.9844 Ang G1.O and H3.CE1 other bump:3.01312 Ang G1.C and H3.CE1 other bump:2.04517 Ang G1.O and H3.ND1 Number of specific fragments= 1 total=1633 # 1eu3A.74.74 read from T0187.t2k.frag # adding 1eu3A to template set 1eu3A:WARNING: atom 5 has residue number 1 < previous residue 2A # found chain 1eu3A in template set T0187 74 :GHSEGPIDD 1eu3A 74 :DWNYLSKGK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1634 # 1irf.75.81 read from T0187.t2k.frag # found chain 1irf in template set T0187 75 :HSEGPIDDF 1irf 83 :CAMNSLPDI Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.08944 Ang P6.O and F10.CZ other bump:2.85207 Ang P6.C and F10.CZ other bump:2.05328 Ang E4.O and F10.CZ other bump:2.5928 Ang E4.C and F10.CZ other bump:2.69548 Ang P6.N and F10.CZ other bump:2.84639 Ang P6.CG and F10.CZ other bump:2.88377 Ang I7.O and F10.CE2 other bump:1.81427 Ang P6.O and F10.CE2 other bump:2.44563 Ang P6.C and F10.CE2 other bump:3.11254 Ang I7.N and F10.CE2 other bump:2.85716 Ang S3.O and F10.CE2 other bump:2.93915 Ang P6.CG and F10.CE2 other bump:1.6069 Ang E4.O and F10.CE1 other bump:2.55787 Ang E4.C and F10.CE1 other bump:2.13895 Ang I7.CG2 and D9.OD2 other bump:2.79601 Ang I7.CG2 and D9.CG other bump:2.2105 Ang S3.C and P6.CD other bump:2.71853 Ang E4.N and P6.CD other bump:3.01249 Ang E4.CA and P6.CD other bump:2.34747 Ang E4.C and P6.CD neighbor-bump: 1.98486 Ang G5.N and P6.CD other bump:2.27181 Ang H2.O and P6.CD other bump:3.15891 Ang S3.CA and P6.CD other bump:1.87852 Ang S3.O and P6.CD self-bump: 1.38386 Ang P6.N and P6.CD other bump:1.83051 Ang S3.C and P6.CG other bump:2.92255 Ang E4.N and P6.CG other bump:2.57576 Ang S3.CA and P6.CG other bump:1.00202 Ang S3.O and P6.CG other bump:3.20031 Ang S3.C and P6.CB other bump:2.47006 Ang S3.O and P6.CB Number of specific fragments= 1 total=1635 # 1a73A.75.77 read from T0187.t2k.frag # found chain 1a73A in template set T0187 75 :HSEGPIDDF 1a73A 78 :HTVPFLLEP Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.08085 Ang G5.CA and P6.CD neighbor-bump: 1.7484 Ang G5.C and P6.CD self-bump: 1.24656 Ang P6.N and P6.CD neighbor-bump: 2.21687 Ang G5.N and P6.CD other bump:2.90737 Ang E4.C and P6.CD self-bump: 2.09886 Ang P6.N and P6.CG Number of specific fragments= 1 total=1636 # 2tbs.75.76 read from T0187.t2k.frag # found chain 2tbs in template set T0187 75 :HSEGPIDDF 2tbs 95 :SSYNIDNDI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.20859 Ang P6.CA and P6.CD neighbor-bump: 1.66583 Ang G5.C and P6.CD neighbor-bump: 2.23464 Ang G5.O and P6.CD Number of specific fragments= 1 total=1637 # 1hj8A.75.76 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 75 :HSEGPIDDF 1hj8A 95 :SSYNIDNDI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21686 Ang P6.CA and P6.CD neighbor-bump: 2.17189 Ang G5.O and P6.CD neighbor-bump: 1.65424 Ang G5.C and P6.CD Number of specific fragments= 1 total=1638 # 1hn4A.75.78 read from T0187.t2k.frag # adding 1hn4A to template set 1hn4A:Skipped atom 31, because occupancy 0.5 <= existing 0.500001 Skipped atom 33, because occupancy 0.5 <= existing 0.500001 Skipped atom 35, because occupancy 0.5 <= existing 0.500001 Skipped atom 37, because occupancy 0.5 <= existing 0.500001 Skipped atom 39, because occupancy 0.5 <= existing 0.500001 Skipped atom 41, because occupancy 0.5 <= existing 0.500001 Skipped atom 649, because occupancy 0.5 <= existing 0.500001 Skipped atom 937, because occupancy 0.5 <= existing 0.500001 Skipped atom 939, because occupancy 0.5 <= existing 0.500001 Skipped atom 941, because occupancy 0.5 <= existing 0.500001 Skipped atom 943, because occupancy 0.5 <= existing 0.500001 # found chain 1hn4A in template set T0187 75 :HSEGPIDDF 1hn4A 72 :SYSYSCSNT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1306 Ang G5.C and P6.CD Number of specific fragments= 1 total=1639 # 1qpoA.75.80 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 75 :HSEGPIDDF 1qpoA 82 :ARVPPGEAL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.64803 Ang E4.OE2 and F10.CE2 other bump:2.86141 Ang E4.CD and F10.CE2 other bump:1.69381 Ang E4.OE2 and F10.CD2 other bump:2.78362 Ang E4.CD and F10.CD2 other bump:2.36991 Ang H2.CE1 and E4.OE1 other bump:1.42017 Ang H2.NE2 and E4.OE1 other bump:1.84289 Ang H2.CD2 and E4.OE1 other bump:2.61936 Ang H2.CD2 and E4.CD Number of specific fragments= 1 total=1640 # 2tbs.76.77 read from T0187.t2k.frag # found chain 2tbs in template set T0187 76 :SEGPIDDFE 2tbs 96 :SYNIDNDIM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.20859 Ang P5.CA and P5.CD neighbor-bump: 1.66583 Ang G4.C and P5.CD neighbor-bump: 2.23464 Ang G4.O and P5.CD Number of specific fragments= 1 total=1641 # 1hj8A.76.77 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 76 :SEGPIDDFE 1hj8A 96 :SYNIDNDIM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21686 Ang P5.CA and P5.CD neighbor-bump: 1.65424 Ang G4.C and P5.CD neighbor-bump: 2.17189 Ang G4.O and P5.CD Number of specific fragments= 1 total=1642 # 1irf.76.82 read from T0187.t2k.frag # found chain 1irf in template set T0187 76 :SEGPIDDFE 1irf 84 :AMNSLPDIE Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.78644 Ang E3.O and F9.CZ other bump:2.24102 Ang E3.C and F9.CZ other bump:2.54615 Ang S2.O and F9.CZ other bump:2.93401 Ang P5.CG and F9.CZ other bump:2.6966 Ang E3.CA and F9.CZ other bump:2.0492 Ang P5.O and F9.CE2 other bump:2.73115 Ang P5.C and F9.CE2 other bump:2.77135 Ang S2.O and F9.CE2 other bump:2.95844 Ang P5.CG and F9.CE2 other bump:1.82626 Ang E3.O and F9.CE1 other bump:2.51851 Ang E3.C and F9.CE1 other bump:2.70522 Ang E3.CA and F9.CE1 other bump:2.13895 Ang I6.CG2 and D8.OD2 other bump:2.79601 Ang I6.CG2 and D8.CG other bump:2.34747 Ang E3.C and P5.CD neighbor-bump: 1.98486 Ang G4.N and P5.CD other bump:1.87852 Ang S2.O and P5.CD self-bump: 1.38386 Ang P5.N and P5.CD other bump:2.2105 Ang S2.C and P5.CD other bump:2.71853 Ang E3.N and P5.CD other bump:3.01249 Ang E3.CA and P5.CD other bump:2.27181 Ang G1.O and P5.CD other bump:3.15891 Ang S2.CA and P5.CD other bump:1.00202 Ang S2.O and P5.CG other bump:1.83051 Ang S2.C and P5.CG other bump:2.92255 Ang E3.N and P5.CG other bump:2.57576 Ang S2.CA and P5.CG other bump:2.47006 Ang S2.O and P5.CB other bump:3.20031 Ang S2.C and P5.CB Number of specific fragments= 1 total=1643 # 1qpoA.76.81 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 76 :SEGPIDDFE 1qpoA 83 :RVPPGEALM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1644 # 1a8rA.76.78 read from T0187.t2k.frag # adding 1a8rA to template set 1a8rA:# found chain 1a8rA in template set T0187 76 :SEGPIDDFE 1a8rA 79 :DYANFPKIT Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89775 Ang D7.OD1 and F9.CZ other bump:2.32459 Ang S2.O and P5.CD neighbor-bump: 2.12169 Ang G4.N and P5.CD neighbor-bump: 2.22779 Ang G4.CA and P5.CD neighbor-bump: 1.85406 Ang G4.C and P5.CD self-bump: 1.29069 Ang P5.N and P5.CD other bump:3.14847 Ang S2.C and P5.CD self-bump: 2.15385 Ang P5.N and P5.CG Number of specific fragments= 1 total=1645 # 1hn4A.76.79 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 76 :SEGPIDDFE 1hn4A 73 :YSYSCSNTE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1306 Ang G4.C and P5.CD Number of specific fragments= 1 total=1646 # 1qpoA.77.82 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 77 :EGPIDDFEI 1qpoA 84 :VPPGEALMT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85918 Ang D7.OD1 and I10.CD1 other bump:2.60537 Ang D7.CG and I10.CD1 other bump:1.74193 Ang D7.OD2 and I10.CD1 other bump:2.98631 Ang D7.CG and I10.CG1 other bump:2.18545 Ang D7.OD2 and I10.CG1 Number of specific fragments= 1 total=1647 # 1irf.77.83 read from T0187.t2k.frag # found chain 1irf in template set T0187 77 :EGPIDDFEI 1irf 85 :MNSLPDIEE Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.78644 Ang E2.O and F8.CZ other bump:2.24102 Ang E2.C and F8.CZ other bump:2.54615 Ang G1.O and F8.CZ other bump:2.93401 Ang P4.CG and F8.CZ other bump:2.6966 Ang E2.CA and F8.CZ other bump:2.0492 Ang P4.O and F8.CE2 other bump:2.73115 Ang P4.C and F8.CE2 other bump:2.77135 Ang G1.O and F8.CE2 other bump:2.95844 Ang P4.CG and F8.CE2 other bump:1.82626 Ang E2.O and F8.CE1 other bump:2.51851 Ang E2.C and F8.CE1 other bump:2.70522 Ang E2.CA and F8.CE1 other bump:2.13895 Ang I5.CG2 and D7.OD2 other bump:2.79601 Ang I5.CG2 and D7.CG other bump:2.34747 Ang E2.C and P4.CD neighbor-bump: 1.98486 Ang G3.N and P4.CD other bump:1.87852 Ang G1.O and P4.CD self-bump: 1.38386 Ang P4.N and P4.CD other bump:2.71853 Ang E2.N and P4.CD other bump:3.01249 Ang E2.CA and P4.CD other bump:2.2105 Ang G1.C and P4.CD other bump:1.00202 Ang G1.O and P4.CG other bump:2.92255 Ang E2.N and P4.CG other bump:1.83051 Ang G1.C and P4.CG other bump:2.47006 Ang G1.O and P4.CB other bump:3.20031 Ang G1.C and P4.CB Number of specific fragments= 1 total=1648 # 2tbs.77.78 read from T0187.t2k.frag # found chain 2tbs in template set T0187 77 :EGPIDDFEI 2tbs 97 :YNIDNDIML Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.20859 Ang P4.CA and P4.CD neighbor-bump: 1.66583 Ang G3.C and P4.CD neighbor-bump: 2.23464 Ang G3.O and P4.CD Number of specific fragments= 1 total=1649 # 1hj8A.77.78 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 77 :EGPIDDFEI 1hj8A 97 :YNIDNDIML Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.17189 Ang G3.O and P4.CD neighbor-bump: 1.65424 Ang G3.C and P4.CD self-bump: 2.21686 Ang P4.CA and P4.CD Number of specific fragments= 1 total=1650 # 1a8rA.77.79 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 77 :EGPIDDFEI 1a8rA 80 :YANFPKITL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89775 Ang D6.OD1 and F8.CZ other bump:2.32459 Ang G1.O and P4.CD self-bump: 1.29069 Ang P4.N and P4.CD other bump:3.14847 Ang G1.C and P4.CD neighbor-bump: 2.12169 Ang G3.N and P4.CD neighbor-bump: 2.22779 Ang G3.CA and P4.CD neighbor-bump: 1.85406 Ang G3.C and P4.CD self-bump: 2.15385 Ang P4.N and P4.CG Number of specific fragments= 1 total=1651 # 1a0jA.77.78 read from T0187.t2k.frag # adding 1a0jA to template set 1a0jA:# found chain 1a0jA in template set T0187 77 :EGPIDDFEI 1a0jA 97 :RNLDNDIML Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.89636 Ang I5.CG2 and D6.CA neighbor-bump: 2.43188 Ang I5.CB and D6.N neighbor-bump: 1.73914 Ang I5.CG2 and D6.N self-bump: 2.32995 Ang I5.CG2 and I5.C self-bump: 1.3152 Ang I5.CA and I5.CB neighbor-bump: 2.0637 Ang G3.O and P4.CD neighbor-bump: 1.60441 Ang G3.C and P4.CD self-bump: 2.18763 Ang P4.CA and P4.CD Number of specific fragments= 1 total=1652 # 2tbs.78.79 read from T0187.t2k.frag # found chain 2tbs in template set T0187 78 :GPIDDFEIY 2tbs 98 :NIDNDIMLI Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2075 Ang E8.CD and Y10.OH other bump:1.65735 Ang E8.OE1 and Y10.OH other bump:2.16118 Ang E8.CD and Y10.CZ other bump:1.29252 Ang E8.OE1 and Y10.CZ other bump:2.71236 Ang E8.OE2 and Y10.CZ other bump:2.63407 Ang E8.OE1 and Y10.CE2 other bump:2.67739 Ang E8.CG and Y10.CE1 other bump:2.01758 Ang E8.CD and Y10.CE1 other bump:1.06067 Ang E8.OE1 and Y10.CE1 other bump:2.42389 Ang E8.OE1 and Y10.CD1 self-bump: 2.20859 Ang P3.CA and P3.CD neighbor-bump: 2.23464 Ang G2.O and P3.CD neighbor-bump: 1.66583 Ang G2.C and P3.CD Number of specific fragments= 1 total=1653 # 1hj8A.78.79 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 78 :GPIDDFEIY 1hj8A 98 :NIDNDIMLI Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27257 Ang E8.CD and Y10.OH other bump:1.76728 Ang E8.OE1 and Y10.OH other bump:2.76967 Ang E8.OE2 and Y10.CZ other bump:2.28201 Ang E8.CD and Y10.CZ other bump:1.56303 Ang E8.OE1 and Y10.CZ other bump:2.92089 Ang E8.OE1 and Y10.CE2 other bump:2.73388 Ang E8.CG and Y10.CE1 other bump:2.0703 Ang E8.CD and Y10.CE1 other bump:1.21283 Ang E8.OE1 and Y10.CE1 other bump:2.57332 Ang E8.OE1 and Y10.CD1 self-bump: 2.21686 Ang P3.CA and P3.CD neighbor-bump: 1.65424 Ang G2.C and P3.CD neighbor-bump: 2.17189 Ang G2.O and P3.CD Number of specific fragments= 1 total=1654 # 1qpoA.78.83 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 78 :GPIDDFEIY 1qpoA 85 :PPGEALMTL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18863 Ang D6.OD2 and I9.CD1 other bump:2.89802 Ang D6.CG and I9.CG1 other bump:2.07243 Ang D6.OD2 and I9.CG1 Number of specific fragments= 1 total=1655 # 1irf.78.84 read from T0187.t2k.frag # found chain 1irf in template set T0187 78 :GPIDDFEIY 1irf 86 :NSLPDIEEV Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.78644 Ang G1.O and F7.CZ other bump:2.24102 Ang G1.C and F7.CZ other bump:2.93401 Ang P3.CG and F7.CZ other bump:2.0492 Ang P3.O and F7.CE2 other bump:2.73115 Ang P3.C and F7.CE2 other bump:2.95844 Ang P3.CG and F7.CE2 other bump:1.82626 Ang G1.O and F7.CE1 other bump:2.51851 Ang G1.C and F7.CE1 other bump:2.13895 Ang I4.CG2 and D6.OD2 other bump:2.79601 Ang I4.CG2 and D6.CG other bump:2.34747 Ang G1.C and P3.CD neighbor-bump: 1.98486 Ang G2.N and P3.CD self-bump: 1.38386 Ang P3.N and P3.CD Number of specific fragments= 1 total=1656 # 1a8rA.78.80 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 78 :GPIDDFEIY 1a8rA 81 :ANFPKITLI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89775 Ang D5.OD1 and F7.CZ neighbor-bump: 1.85406 Ang G2.C and P3.CD self-bump: 1.29069 Ang P3.N and P3.CD neighbor-bump: 2.12169 Ang G2.N and P3.CD neighbor-bump: 2.22779 Ang G2.CA and P3.CD self-bump: 2.15385 Ang P3.N and P3.CG Number of specific fragments= 1 total=1657 # 1a0jA.78.79 read from T0187.t2k.frag # found chain 1a0jA in template set T0187 78 :GPIDDFEIY 1a0jA 98 :NLDNDIMLI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04634 Ang E8.CD and Y10.OH other bump:1.493 Ang E8.OE1 and Y10.OH other bump:2.15818 Ang E8.OE2 and Y10.OH other bump:2.13901 Ang E8.CD and Y10.CZ other bump:1.39588 Ang E8.OE1 and Y10.CZ other bump:2.7265 Ang E8.OE2 and Y10.CZ other bump:2.76407 Ang E8.OE1 and Y10.CE2 other bump:2.12923 Ang E8.CD and Y10.CE1 other bump:1.32157 Ang E8.OE1 and Y10.CE1 other bump:2.66125 Ang E8.CG and Y10.CE1 other bump:2.70002 Ang E8.OE1 and Y10.CD1 neighbor-bump: 2.89636 Ang I4.CG2 and D5.CA neighbor-bump: 2.43188 Ang I4.CB and D5.N neighbor-bump: 1.73914 Ang I4.CG2 and D5.N self-bump: 2.32995 Ang I4.CG2 and I4.C self-bump: 1.3152 Ang I4.CA and I4.CB self-bump: 2.18763 Ang P3.CA and P3.CD neighbor-bump: 2.0637 Ang G2.O and P3.CD neighbor-bump: 1.60441 Ang G2.C and P3.CD Number of specific fragments= 1 total=1658 # 2tbs.79.80 read from T0187.t2k.frag # found chain 2tbs in template set T0187 79 :PIDDFEIYE 2tbs 99 :IDNDIMLIK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2075 Ang E7.CD and Y9.OH other bump:1.65735 Ang E7.OE1 and Y9.OH other bump:2.16118 Ang E7.CD and Y9.CZ other bump:1.29252 Ang E7.OE1 and Y9.CZ other bump:2.71236 Ang E7.OE2 and Y9.CZ other bump:2.63407 Ang E7.OE1 and Y9.CE2 other bump:2.67739 Ang E7.CG and Y9.CE1 other bump:2.01758 Ang E7.CD and Y9.CE1 other bump:1.06067 Ang E7.OE1 and Y9.CE1 other bump:2.42389 Ang E7.OE1 and Y9.CD1 self-bump: 2.20859 Ang P2.CA and P2.CD neighbor-bump: 1.66584 Ang G1.C and P2.CD neighbor-bump: 2.23465 Ang G1.O and P2.CD Number of specific fragments= 1 total=1659 # 1hj8A.79.80 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 79 :PIDDFEIYE 1hj8A 99 :IDNDIMLIK Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27256 Ang E7.CD and Y9.OH other bump:1.76727 Ang E7.OE1 and Y9.OH other bump:2.76966 Ang E7.OE2 and Y9.CZ other bump:2.28201 Ang E7.CD and Y9.CZ other bump:1.56303 Ang E7.OE1 and Y9.CZ other bump:2.9209 Ang E7.OE1 and Y9.CE2 other bump:2.73389 Ang E7.CG and Y9.CE1 other bump:2.0703 Ang E7.CD and Y9.CE1 other bump:1.21283 Ang E7.OE1 and Y9.CE1 other bump:2.57332 Ang E7.OE1 and Y9.CD1 neighbor-bump: 2.17188 Ang G1.O and P2.CD neighbor-bump: 1.65424 Ang G1.C and P2.CD self-bump: 2.21686 Ang P2.CA and P2.CD Number of specific fragments= 1 total=1660 # 1a0jA.79.80 read from T0187.t2k.frag # found chain 1a0jA in template set T0187 79 :PIDDFEIYE 1a0jA 99 :LDNDIMLIK Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04633 Ang E7.CD and Y9.OH other bump:1.493 Ang E7.OE1 and Y9.OH other bump:2.15818 Ang E7.OE2 and Y9.OH other bump:2.13901 Ang E7.CD and Y9.CZ other bump:1.39588 Ang E7.OE1 and Y9.CZ other bump:2.72651 Ang E7.OE2 and Y9.CZ other bump:2.76406 Ang E7.OE1 and Y9.CE2 other bump:2.66125 Ang E7.CG and Y9.CE1 other bump:2.12923 Ang E7.CD and Y9.CE1 other bump:1.32157 Ang E7.OE1 and Y9.CE1 other bump:2.70001 Ang E7.OE1 and Y9.CD1 neighbor-bump: 2.89636 Ang I3.CG2 and D4.CA neighbor-bump: 1.73914 Ang I3.CG2 and D4.N neighbor-bump: 2.43189 Ang I3.CB and D4.N self-bump: 2.32994 Ang I3.CG2 and I3.C self-bump: 1.31519 Ang I3.CA and I3.CB self-bump: 2.18762 Ang P2.CA and P2.CD neighbor-bump: 2.0637 Ang G1.O and P2.CD neighbor-bump: 1.6044 Ang G1.C and P2.CD Number of specific fragments= 1 total=1661 # 1a8rA.79.81 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 79 :PIDDFEIYE 1a8rA 82 :NFPKITLIE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89775 Ang D4.OD1 and F6.CZ self-bump: 1.29067 Ang P2.N and P2.CD neighbor-bump: 1.85405 Ang G1.C and P2.CD self-bump: 2.15383 Ang P2.N and P2.CG Number of specific fragments= 1 total=1662 # 1qpoA.79.84 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 79 :PIDDFEIYE 1qpoA 86 :PGEALMTLE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18863 Ang D5.OD2 and I8.CD1 other bump:2.07243 Ang D5.OD2 and I8.CG1 other bump:2.89802 Ang D5.CG and I8.CG1 Number of specific fragments= 1 total=1663 # 1irf.79.85 read from T0187.t2k.frag # found chain 1irf in template set T0187 79 :PIDDFEIYE 1irf 87 :SLPDIEEVK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93401 Ang P2.CG and F6.CZ other bump:2.0492 Ang P2.O and F6.CE2 other bump:2.73115 Ang P2.C and F6.CE2 other bump:2.95844 Ang P2.CG and F6.CE2 other bump:2.13896 Ang I3.CG2 and D5.OD2 other bump:2.79602 Ang I3.CG2 and D5.CG self-bump: 1.38386 Ang P2.N and P2.CD Number of specific fragments= 1 total=1664 # 1hj8A.80.81 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 80 :IDDFEIYEA 1hj8A 100 :DNDIMLIKL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27256 Ang E6.CD and Y8.OH other bump:1.76727 Ang E6.OE1 and Y8.OH other bump:2.76966 Ang E6.OE2 and Y8.CZ other bump:2.28201 Ang E6.CD and Y8.CZ other bump:1.56303 Ang E6.OE1 and Y8.CZ other bump:2.9209 Ang E6.OE1 and Y8.CE2 other bump:2.73389 Ang E6.CG and Y8.CE1 other bump:2.0703 Ang E6.CD and Y8.CE1 other bump:1.21283 Ang E6.OE1 and Y8.CE1 other bump:2.57332 Ang E6.OE1 and Y8.CD1 Number of specific fragments= 1 total=1665 # 2tbs.80.81 read from T0187.t2k.frag # found chain 2tbs in template set T0187 80 :IDDFEIYEA 2tbs 100 :DNDIMLIKL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.65735 Ang E6.OE1 and Y8.OH other bump:2.2075 Ang E6.CD and Y8.OH other bump:1.29252 Ang E6.OE1 and Y8.CZ other bump:2.71236 Ang E6.OE2 and Y8.CZ other bump:2.16118 Ang E6.CD and Y8.CZ other bump:2.63407 Ang E6.OE1 and Y8.CE2 other bump:2.67739 Ang E6.CG and Y8.CE1 other bump:1.06067 Ang E6.OE1 and Y8.CE1 other bump:2.01758 Ang E6.CD and Y8.CE1 other bump:2.42389 Ang E6.OE1 and Y8.CD1 Number of specific fragments= 1 total=1666 # 1a8rA.80.82 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 80 :IDDFEIYEA 1a8rA 83 :FPKITLIEN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89775 Ang D3.OD1 and F5.CZ Number of specific fragments= 1 total=1667 # 1a0jA.80.81 read from T0187.t2k.frag # found chain 1a0jA in template set T0187 80 :IDDFEIYEA 1a0jA 100 :DNDIMLIKL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04633 Ang E6.CD and Y8.OH other bump:1.493 Ang E6.OE1 and Y8.OH other bump:2.15818 Ang E6.OE2 and Y8.OH other bump:2.13901 Ang E6.CD and Y8.CZ other bump:1.39588 Ang E6.OE1 and Y8.CZ other bump:2.72651 Ang E6.OE2 and Y8.CZ other bump:2.76406 Ang E6.OE1 and Y8.CE2 other bump:2.12923 Ang E6.CD and Y8.CE1 other bump:1.32157 Ang E6.OE1 and Y8.CE1 other bump:2.66125 Ang E6.CG and Y8.CE1 other bump:2.70001 Ang E6.OE1 and Y8.CD1 neighbor-bump: 2.89636 Ang I2.CG2 and D3.CA neighbor-bump: 2.43188 Ang I2.CB and D3.N neighbor-bump: 1.73913 Ang I2.CG2 and D3.N self-bump: 2.32994 Ang I2.CG2 and I2.C self-bump: 1.31519 Ang I2.CA and I2.CB Number of specific fragments= 1 total=1668 # 1hn4A.80.83 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 80 :IDDFEIYEA 1hn4A 77 :CSNTEITCN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1669 # 1irf.80.86 read from T0187.t2k.frag # found chain 1irf in template set T0187 80 :IDDFEIYEA 1irf 88 :LPDIEEVKD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.0492 Ang G1.O and F5.CE2 other bump:2.73115 Ang G1.C and F5.CE2 other bump:2.2104 Ang I2.CG2 and D4.OD2 other bump:2.77428 Ang I2.CG2 and D4.CG Number of specific fragments= 1 total=1670 # 1hj8A.81.82 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 81 :DDFEIYEAG 1hj8A 101 :NDIMLIKLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27256 Ang E5.CD and Y7.OH other bump:1.76727 Ang E5.OE1 and Y7.OH other bump:2.28201 Ang E5.CD and Y7.CZ other bump:2.76966 Ang E5.OE2 and Y7.CZ other bump:1.56303 Ang E5.OE1 and Y7.CZ other bump:2.9209 Ang E5.OE1 and Y7.CE2 other bump:2.73389 Ang E5.CG and Y7.CE1 other bump:2.0703 Ang E5.CD and Y7.CE1 other bump:1.21283 Ang E5.OE1 and Y7.CE1 other bump:2.57332 Ang E5.OE1 and Y7.CD1 Number of specific fragments= 1 total=1671 # 2tbs.81.82 read from T0187.t2k.frag # found chain 2tbs in template set T0187 81 :DDFEIYEAG 2tbs 101 :NDIMLIKLS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.65735 Ang E5.OE1 and Y7.OH other bump:2.2075 Ang E5.CD and Y7.OH other bump:1.29252 Ang E5.OE1 and Y7.CZ other bump:2.71236 Ang E5.OE2 and Y7.CZ other bump:2.16118 Ang E5.CD and Y7.CZ other bump:2.63407 Ang E5.OE1 and Y7.CE2 other bump:1.06067 Ang E5.OE1 and Y7.CE1 other bump:2.67739 Ang E5.CG and Y7.CE1 other bump:2.01758 Ang E5.CD and Y7.CE1 other bump:2.42389 Ang E5.OE1 and Y7.CD1 Number of specific fragments= 1 total=1672 # 1a8rA.81.83 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 81 :DDFEIYEAG 1a8rA 84 :PKITLIENK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89774 Ang D2.OD1 and F4.CZ Number of specific fragments= 1 total=1673 # 1hn4A.81.84 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 81 :DDFEIYEAG 1hn4A 78 :SNTEITCNS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1674 # 1a0jA.81.82 read from T0187.t2k.frag # found chain 1a0jA in template set T0187 81 :DDFEIYEAG 1a0jA 101 :NDIMLIKLS Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.493 Ang E5.OE1 and Y7.OH other bump:2.04633 Ang E5.CD and Y7.OH other bump:2.15818 Ang E5.OE2 and Y7.OH other bump:1.39588 Ang E5.OE1 and Y7.CZ other bump:2.13901 Ang E5.CD and Y7.CZ other bump:2.72651 Ang E5.OE2 and Y7.CZ other bump:2.76406 Ang E5.OE1 and Y7.CE2 other bump:1.32157 Ang E5.OE1 and Y7.CE1 other bump:2.66125 Ang E5.CG and Y7.CE1 other bump:2.12923 Ang E5.CD and Y7.CE1 other bump:2.70001 Ang E5.OE1 and Y7.CD1 Number of specific fragments= 1 total=1675 # 1qpoA.81.86 read from T0187.t2k.frag # found chain 1qpoA in template set T0187 81 :DDFEIYEAG 1qpoA 88 :EALMTLEAQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.18862 Ang D3.OD2 and I6.CD1 other bump:2.89802 Ang D3.CG and I6.CG1 other bump:2.07243 Ang D3.OD2 and I6.CG1 Number of specific fragments= 1 total=1676 # 2tbs.82.83 read from T0187.t2k.frag # found chain 2tbs in template set T0187 82 :DFEIYEAGH 2tbs 102 :DIMLIKLSK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2075 Ang E4.CD and Y6.OH other bump:1.65735 Ang E4.OE1 and Y6.OH other bump:2.16118 Ang E4.CD and Y6.CZ other bump:1.29252 Ang E4.OE1 and Y6.CZ other bump:2.71236 Ang E4.OE2 and Y6.CZ other bump:2.63407 Ang E4.OE1 and Y6.CE2 other bump:2.67739 Ang E4.CG and Y6.CE1 other bump:2.01758 Ang E4.CD and Y6.CE1 other bump:1.06067 Ang E4.OE1 and Y6.CE1 other bump:2.42389 Ang E4.OE1 and Y6.CD1 Number of specific fragments= 1 total=1677 # 1hj8A.82.83 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 82 :DFEIYEAGH 1hj8A 102 :DIMLIKLSK Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27256 Ang E4.CD and Y6.OH other bump:1.76727 Ang E4.OE1 and Y6.OH other bump:2.28201 Ang E4.CD and Y6.CZ other bump:2.76966 Ang E4.OE2 and Y6.CZ other bump:1.56303 Ang E4.OE1 and Y6.CZ other bump:2.9209 Ang E4.OE1 and Y6.CE2 other bump:2.73389 Ang E4.CG and Y6.CE1 other bump:2.0703 Ang E4.CD and Y6.CE1 other bump:1.21283 Ang E4.OE1 and Y6.CE1 other bump:2.57332 Ang E4.OE1 and Y6.CD1 Number of specific fragments= 1 total=1678 # 1a8rA.82.84 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 82 :DFEIYEAGH 1a8rA 85 :KITLIENKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1679 # 1hn4A.82.85 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 82 :DFEIYEAGH 1hn4A 79 :NTEITCNSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1680 # 1f2tB.82.82 read from T0187.t2k.frag # adding 1f2tB to template set 1f2tB:# found chain 1f2tB in template set T0187 82 :DFEIYEAGH 1f2tB 817 :SLLILDEPT Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42668 Ang E4.CD and Y6.OH other bump:1.58773 Ang E4.OE2 and Y6.OH other bump:2.35056 Ang E4.CD and Y6.CZ other bump:2.73589 Ang E4.CG and Y6.CZ other bump:2.23026 Ang E4.OE2 and Y6.CZ other bump:2.36281 Ang E4.OE1 and Y6.CE1 other bump:1.77104 Ang E4.CD and Y6.CE1 other bump:1.72853 Ang E4.CG and Y6.CE1 other bump:2.39964 Ang E4.OE2 and Y6.CE1 other bump:2.93937 Ang E4.CD and Y6.CD1 other bump:2.63297 Ang E4.CG and Y6.CD1 other bump:2.16787 Ang F3.CE2 and I5.CD1 other bump:2.45313 Ang F3.CZ and I5.CD1 other bump:2.21933 Ang F3.CE2 and I5.CG1 other bump:2.43903 Ang F3.CZ and I5.CG1 Number of specific fragments= 1 total=1681 # 1a0jA.82.83 read from T0187.t2k.frag # found chain 1a0jA in template set T0187 82 :DFEIYEAGH 1a0jA 102 :DIMLIKLSK Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.493 Ang E4.OE1 and Y6.OH other bump:2.04633 Ang E4.CD and Y6.OH other bump:2.15818 Ang E4.OE2 and Y6.OH other bump:1.39588 Ang E4.OE1 and Y6.CZ other bump:2.13901 Ang E4.CD and Y6.CZ other bump:2.72651 Ang E4.OE2 and Y6.CZ other bump:2.76406 Ang E4.OE1 and Y6.CE2 other bump:1.32157 Ang E4.OE1 and Y6.CE1 other bump:2.66125 Ang E4.CG and Y6.CE1 other bump:2.12923 Ang E4.CD and Y6.CE1 other bump:2.70001 Ang E4.OE1 and Y6.CD1 Number of specific fragments= 1 total=1682 # 2tbs.83.84 read from T0187.t2k.frag # found chain 2tbs in template set T0187 83 :FEIYEAGHP 2tbs 103 :IMLIKLSKP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2075 Ang E3.CD and Y5.OH other bump:1.65735 Ang E3.OE1 and Y5.OH other bump:2.71237 Ang E3.OE2 and Y5.CZ other bump:2.16119 Ang E3.CD and Y5.CZ other bump:1.29253 Ang E3.OE1 and Y5.CZ other bump:2.63407 Ang E3.OE1 and Y5.CE2 other bump:2.6774 Ang E3.CG and Y5.CE1 other bump:2.01759 Ang E3.CD and Y5.CE1 other bump:1.06068 Ang E3.OE1 and Y5.CE1 other bump:2.42389 Ang E3.OE1 and Y5.CD1 Number of specific fragments= 1 total=1683 # 1f2tB.83.83 read from T0187.t2k.frag # found chain 1f2tB in template set T0187 83 :FEIYEAGHP 1f2tB 818 :LLILDEPTP Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42669 Ang E3.CD and Y5.OH other bump:1.58773 Ang E3.OE2 and Y5.OH other bump:2.35056 Ang E3.CD and Y5.CZ other bump:2.23026 Ang E3.OE2 and Y5.CZ other bump:2.73589 Ang E3.CG and Y5.CZ other bump:1.77104 Ang E3.CD and Y5.CE1 other bump:2.36281 Ang E3.OE1 and Y5.CE1 other bump:2.39964 Ang E3.OE2 and Y5.CE1 other bump:1.72853 Ang E3.CG and Y5.CE1 other bump:2.93937 Ang E3.CD and Y5.CD1 other bump:2.63297 Ang E3.CG and Y5.CD1 other bump:2.16786 Ang F2.CE2 and I4.CD1 other bump:2.45314 Ang F2.CZ and I4.CD1 other bump:2.21932 Ang F2.CE2 and I4.CG1 other bump:2.43902 Ang F2.CZ and I4.CG1 Number of specific fragments= 1 total=1684 # 1hn4A.83.86 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 83 :FEIYEAGHP 1hn4A 80 :TEITCNSKN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7215 Ang A7.O and P10.CD other bump:2.52855 Ang A7.C and P10.CD other bump:2.80271 Ang G8.C and P10.CD neighbor-bump: 2.44008 Ang H9.N and P10.CD other bump:2.08929 Ang A7.O and P10.CG other bump:3.07826 Ang A7.C and P10.CG Number of specific fragments= 1 total=1685 # 1hj8A.83.84 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 83 :FEIYEAGHP 1hj8A 103 :IMLIKLSKP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27255 Ang E3.CD and Y5.OH other bump:1.76727 Ang E3.OE1 and Y5.OH other bump:2.282 Ang E3.CD and Y5.CZ other bump:1.56303 Ang E3.OE1 and Y5.CZ other bump:2.76967 Ang E3.OE2 and Y5.CZ other bump:2.9209 Ang E3.OE1 and Y5.CE2 other bump:2.73388 Ang E3.CG and Y5.CE1 other bump:2.0703 Ang E3.CD and Y5.CE1 other bump:1.21283 Ang E3.OE1 and Y5.CE1 other bump:2.57332 Ang E3.OE1 and Y5.CD1 Number of specific fragments= 1 total=1686 # 1a8rA.83.85 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 83 :FEIYEAGHP 1a8rA 86 :ITLIENKMK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1687 # 1a0jA.83.84 read from T0187.t2k.frag # found chain 1a0jA in template set T0187 83 :FEIYEAGHP 1a0jA 103 :IMLIKLSKP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.04633 Ang E3.CD and Y5.OH other bump:1.49299 Ang E3.OE1 and Y5.OH other bump:2.15818 Ang E3.OE2 and Y5.OH other bump:2.13901 Ang E3.CD and Y5.CZ other bump:1.39588 Ang E3.OE1 and Y5.CZ other bump:2.72651 Ang E3.OE2 and Y5.CZ other bump:2.76407 Ang E3.OE1 and Y5.CE2 other bump:2.66124 Ang E3.CG and Y5.CE1 other bump:2.12923 Ang E3.CD and Y5.CE1 other bump:1.32158 Ang E3.OE1 and Y5.CE1 other bump:2.70002 Ang E3.OE1 and Y5.CD1 Number of specific fragments= 1 total=1688 # 1f2tB.84.84 read from T0187.t2k.frag # found chain 1f2tB in template set T0187 84 :EIYEAGHPV 1f2tB 819 :LILDEPTPY Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42669 Ang E2.CD and Y4.OH other bump:1.58774 Ang E2.OE2 and Y4.OH other bump:2.7359 Ang E2.CG and Y4.CZ other bump:2.35057 Ang E2.CD and Y4.CZ other bump:2.23027 Ang E2.OE2 and Y4.CZ other bump:2.36282 Ang E2.OE1 and Y4.CE1 other bump:1.72853 Ang E2.CG and Y4.CE1 other bump:1.77105 Ang E2.CD and Y4.CE1 other bump:2.39965 Ang E2.OE2 and Y4.CE1 other bump:2.63297 Ang E2.CG and Y4.CD1 other bump:2.93938 Ang E2.CD and Y4.CD1 Number of specific fragments= 1 total=1689 # 1hn4A.84.87 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 84 :EIYEAGHPV 1hn4A 81 :EITCNSKNN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.70067 Ang A6.O and P9.CD other bump:2.54694 Ang A6.C and P9.CD other bump:2.84671 Ang G7.C and P9.CD neighbor-bump: 2.51551 Ang H8.N and P9.CD other bump:2.20325 Ang A6.O and P9.CG other bump:3.16982 Ang A6.C and P9.CG Number of specific fragments= 1 total=1690 # 2tbs.84.85 read from T0187.t2k.frag # found chain 2tbs in template set T0187 84 :EIYEAGHPV 2tbs 104 :MLIKLSKPA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2075 Ang E2.CD and Y4.OH other bump:1.65735 Ang E2.OE1 and Y4.OH other bump:2.16119 Ang E2.CD and Y4.CZ other bump:1.29253 Ang E2.OE1 and Y4.CZ other bump:2.71236 Ang E2.OE2 and Y4.CZ other bump:2.63407 Ang E2.OE1 and Y4.CE2 other bump:2.67739 Ang E2.CG and Y4.CE1 other bump:2.01759 Ang E2.CD and Y4.CE1 other bump:1.06067 Ang E2.OE1 and Y4.CE1 other bump:2.42389 Ang E2.OE1 and Y4.CD1 Number of specific fragments= 1 total=1691 # 1hj8A.84.85 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 84 :EIYEAGHPV 1hj8A 104 :MLIKLSKPA Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27256 Ang E2.CD and Y4.OH other bump:1.76727 Ang E2.OE1 and Y4.OH other bump:2.28201 Ang E2.CD and Y4.CZ other bump:1.56303 Ang E2.OE1 and Y4.CZ other bump:2.76966 Ang E2.OE2 and Y4.CZ other bump:2.9209 Ang E2.OE1 and Y4.CE2 other bump:2.73388 Ang E2.CG and Y4.CE1 other bump:2.0703 Ang E2.CD and Y4.CE1 other bump:1.21284 Ang E2.OE1 and Y4.CE1 other bump:2.57332 Ang E2.OE1 and Y4.CD1 Number of specific fragments= 1 total=1692 # 1a8rA.84.86 read from T0187.t2k.frag # found chain 1a8rA in template set T0187 84 :EIYEAGHPV 1a8rA 87 :TLIENKMKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1693 # 1ccwA.84.86 read from T0187.t2k.frag # adding 1ccwA to template set 1ccwA:# found chain 1ccwA in template set T0187 84 :EIYEAGHPV 1ccwA 87 :LLYVGGNIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1694 # 1f2tB.85.85 read from T0187.t2k.frag # found chain 1f2tB in template set T0187 85 :IYEAGHPVP 1f2tB 820 :ILDEPTPYL Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.37648 Ang V9.O and P10.CD neighbor-bump: 1.32004 Ang V9.C and P10.CD self-bump: 1.24402 Ang P10.N and P10.CD neighbor-bump: 1.2278 Ang V9.CG1 and P10.CD neighbor-bump: 2.77816 Ang V9.CG2 and P10.CD neighbor-bump: 1.78058 Ang V9.CA and P10.CD neighbor-bump: 1.64846 Ang V9.CB and P10.CD neighbor-bump: 2.30659 Ang V9.C and P10.CG self-bump: 2.09698 Ang P10.N and P10.CG neighbor-bump: 1.57703 Ang V9.CG1 and P10.CG neighbor-bump: 3.09487 Ang V9.CA and P10.CG neighbor-bump: 2.79593 Ang V9.CB and P10.CG neighbor-bump: 2.47579 Ang V9.C and P10.CB self-bump: 2.15713 Ang P10.N and P10.CB neighbor-bump: 2.97005 Ang V9.CG1 and P10.CB neighbor-bump: 2.35964 Ang V9.CG1 and P10.N self-bump: 2.47025 Ang V9.CG1 and V9.C self-bump: 1.34868 Ang V9.CA and V9.CB Number of specific fragments= 1 total=1695 # 1hn4A.85.88 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 85 :IYEAGHPVP 1hn4A 82 :ITCNSKNNA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.70067 Ang A5.O and P8.CD other bump:2.54694 Ang A5.C and P8.CD other bump:2.84671 Ang G6.C and P8.CD neighbor-bump: 2.51551 Ang H7.N and P8.CD other bump:2.20325 Ang A5.O and P8.CG other bump:3.16982 Ang A5.C and P8.CG Number of specific fragments= 1 total=1696 # 1ccwA.85.87 read from T0187.t2k.frag # found chain 1ccwA in template set T0187 85 :IYEAGHPVP 1ccwA 88 :LYVGGNIVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1697 # 2tbs.85.86 read from T0187.t2k.frag # found chain 2tbs in template set T0187 85 :IYEAGHPVP 2tbs 105 :LIKLSKPAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1698 # 1jyaA.85.87 read from T0187.t2k.frag # adding 1jyaA to template set 1jyaA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE 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 1jyaA in template set T0187 85 :IYEAGHPVP 1jyaA 88 :VLWNRQPLN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.23992 Ang V9.N and P10.CD neighbor-bump: 2.42033 Ang V9.CA and P10.CD neighbor-bump: 2.11608 Ang V9.C and P10.CD self-bump: 1.29661 Ang P10.N and P10.CD self-bump: 2.16406 Ang P10.N and P10.CG Number of specific fragments= 1 total=1699 # 1hj8A.85.86 read from T0187.t2k.frag # found chain 1hj8A in template set T0187 85 :IYEAGHPVP 1hj8A 105 :LIKLSKPAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1700 # 1f2tB.86.86 read from T0187.t2k.frag # found chain 1f2tB in template set T0187 86 :YEAGHPVPD 1f2tB 821 :LDEPTPYLD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.83403 Ang V8.CG1 and P9.CD neighbor-bump: 2.02904 Ang V8.O and P9.CD neighbor-bump: 1.59372 Ang V8.C and P9.CD self-bump: 2.16654 Ang P9.CA and P9.CD neighbor-bump: 2.66514 Ang V8.CB and P9.CD neighbor-bump: 2.05222 Ang V8.CG1 and P9.CG neighbor-bump: 2.35964 Ang V8.CG1 and P9.N self-bump: 2.47025 Ang V8.CG1 and V8.C self-bump: 1.34868 Ang V8.CA and V8.CB Number of specific fragments= 1 total=1701 # 1hn4A.86.89 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 86 :YEAGHPVPD 1hn4A 83 :TCNSKNNAC Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.70067 Ang A4.O and P7.CD other bump:2.54694 Ang A4.C and P7.CD other bump:2.84671 Ang G5.C and P7.CD neighbor-bump: 2.51551 Ang H6.N and P7.CD other bump:2.20325 Ang A4.O and P7.CG other bump:3.16982 Ang A4.C and P7.CG Number of specific fragments= 1 total=1702 # 1fslA.86.90 read from T0187.t2k.frag # adding 1fslA to template set 1fslA:Skipped atom 85, because occupancy 0.5 <= existing 0.500001 Skipped atom 87, because occupancy 0.5 <= existing 0.500001 Skipped atom 89, because occupancy 0.5 <= existing 0.500001 Skipped atom 1594, because occupancy 0.5 <= existing 0.500001 Skipped atom 1596, because occupancy 0.5 <= existing 0.500001 # found chain 1fslA in template set T0187 86 :YEAGHPVPD 1fslA 91 :VHAQKAVTD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.8942 Ang P7.O and P9.CD other bump:2.50851 Ang P7.C and P9.CD other bump:2.84167 Ang G5.C and P7.CD neighbor-bump: 2.41933 Ang H6.N and P7.CD Number of specific fragments= 1 total=1703 # 1binA.86.90 read from T0187.t2k.frag # adding 1binA to template set 1binA:# found chain 1binA in template set T0187 86 :YEAGHPVPD 1binA 91 :VHAQKAVTD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.33372 Ang P9.N and P9.O other bump:2.86065 Ang P7.CA and P9.CD other bump:1.85325 Ang P7.C and P9.CD neighbor-bump: 2.56066 Ang V8.N and P9.CD other bump:1.45812 Ang P7.O and P9.CD other bump:3.27108 Ang P7.C and P9.CG other bump:2.5348 Ang P7.O and P9.CG other bump:2.35655 Ang E3.OE1 and V8.CG2 neighbor-bump: 2.31229 Ang H6.CG and P7.CD neighbor-bump: 2.45739 Ang H6.CD2 and P7.CD neighbor-bump: 2.58316 Ang H6.ND1 and P7.CD self-bump: 1.30586 Ang P7.N and P7.CD neighbor-bump: 2.6381 Ang H6.NE2 and P7.CG self-bump: 2.19253 Ang P7.N and P7.CG neighbor-bump: 2.7189 Ang H6.CD2 and P7.N self-bump: 1.37395 Ang H6.CA and H6.CB Number of specific fragments= 1 total=1704 # 1ccwA.86.88 read from T0187.t2k.frag # found chain 1ccwA in template set T0187 86 :YEAGHPVPD 1ccwA 89 :YVGGNIVVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1705 # 1jyaA.86.88 read from T0187.t2k.frag # found chain 1jyaA in template set T0187 86 :YEAGHPVPD 1jyaA 89 :LWNRQPLNS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.11609 Ang V8.C and P9.CD neighbor-bump: 2.23992 Ang V8.N and P9.CD self-bump: 1.29662 Ang P9.N and P9.CD neighbor-bump: 2.42033 Ang V8.CA and P9.CD self-bump: 2.16407 Ang P9.N and P9.CG Number of specific fragments= 1 total=1706 # 1fslA.87.91 read from T0187.t2k.frag # found chain 1fslA in template set T0187 87 :EAGHPVPDE 1fslA 92 :HAQKAVTDP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.8942 Ang P6.O and P8.CD other bump:2.50851 Ang P6.C and P8.CD other bump:2.84167 Ang G4.C and P6.CD neighbor-bump: 2.41933 Ang H5.N and P6.CD Number of specific fragments= 1 total=1707 # 1binA.87.91 read from T0187.t2k.frag # found chain 1binA in template set T0187 87 :EAGHPVPDE 1binA 92 :HAQKAVTDP Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.33372 Ang P8.N and P8.O other bump:2.86065 Ang P6.CA and P8.CD other bump:1.45812 Ang P6.O and P8.CD other bump:1.85325 Ang P6.C and P8.CD neighbor-bump: 2.56066 Ang V7.N and P8.CD other bump:2.5348 Ang P6.O and P8.CG other bump:3.27108 Ang P6.C and P8.CG other bump:2.35655 Ang E2.OE1 and V7.CG2 neighbor-bump: 2.31229 Ang H5.CG and P6.CD neighbor-bump: 2.45739 Ang H5.CD2 and P6.CD neighbor-bump: 2.58316 Ang H5.ND1 and P6.CD self-bump: 1.30586 Ang P6.N and P6.CD neighbor-bump: 2.6381 Ang H5.NE2 and P6.CG self-bump: 2.19253 Ang P6.N and P6.CG neighbor-bump: 2.7189 Ang H5.CD2 and P6.N self-bump: 1.37395 Ang H5.CA and H5.CB Number of specific fragments= 1 total=1708 # 1hn4A.87.90 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 87 :EAGHPVPDE 1hn4A 84 :CNSKNNACE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.2301 Ang E2.CD and G11.CA other bump:2.44083 Ang E2.OE2 and G11.CA other bump:2.82477 Ang V7.CG2 and E10.CG other bump:1.70067 Ang A3.O and P6.CD other bump:2.54694 Ang A3.C and P6.CD other bump:2.84671 Ang G4.C and P6.CD neighbor-bump: 2.51551 Ang H5.N and P6.CD other bump:2.20325 Ang A3.O and P6.CG other bump:3.16982 Ang A3.C and P6.CG Number of specific fragments= 1 total=1709 # 1f2tB.87.87 read from T0187.t2k.frag # found chain 1f2tB in template set T0187 87 :EAGHPVPDE 1f2tB 822 :DEPTPYLDE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.83403 Ang V7.CG1 and P8.CD self-bump: 2.16654 Ang P8.CA and P8.CD neighbor-bump: 2.02904 Ang V7.O and P8.CD neighbor-bump: 1.59372 Ang V7.C and P8.CD neighbor-bump: 2.66514 Ang V7.CB and P8.CD neighbor-bump: 2.05222 Ang V7.CG1 and P8.CG neighbor-bump: 2.35964 Ang V7.CG1 and P8.N self-bump: 2.47025 Ang V7.CG1 and V7.C self-bump: 1.34868 Ang V7.CA and V7.CB Number of specific fragments= 1 total=1710 # 1irdB.87.93 read from T0187.t2k.frag # adding 1irdB to template set 1irdB:# found chain 1irdB in template set T0187 87 :EAGHPVPDE 1irdB 294 :DKLHVDPEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1711 # 1gjnA.87.93 read from T0187.t2k.frag # adding 1gjnA to template set 1gjnA:# found chain 1gjnA in template set T0187 87 :EAGHPVPDE 1gjnA 94 :ATKHKIPIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1712 # 1fslA.88.92 read from T0187.t2k.frag # found chain 1fslA in template set T0187 88 :AGHPVPDEN 1fslA 93 :AQKAVTDPQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.94055 Ang P7.CG and N10.ND2 other bump:2.39599 Ang P7.CD and N10.ND2 other bump:2.90679 Ang P7.CG and N10.CG other bump:1.8942 Ang P5.O and P7.CD other bump:2.50851 Ang P5.C and P7.CD other bump:2.84167 Ang G3.C and P5.CD neighbor-bump: 2.41933 Ang H4.N and P5.CD Number of specific fragments= 1 total=1713 # 1binA.88.92 read from T0187.t2k.frag # found chain 1binA in template set T0187 88 :AGHPVPDEN 1binA 93 :AQKAVTDPQ Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.74674 Ang P5.O and N10.ND2 other bump:2.90866 Ang P5.C and N10.ND2 other bump:2.23325 Ang P7.CG and N10.ND2 other bump:2.30331 Ang P7.CD and N10.ND2 other bump:2.77965 Ang P7.CG and N10.CG self-bump: 2.33372 Ang P7.N and P7.O neighbor-bump: 2.56066 Ang V6.N and P7.CD other bump:2.86065 Ang P5.CA and P7.CD other bump:1.45812 Ang P5.O and P7.CD other bump:1.85325 Ang P5.C and P7.CD other bump:2.5348 Ang P5.O and P7.CG other bump:3.27108 Ang P5.C and P7.CG neighbor-bump: 2.31229 Ang H4.CG and P5.CD neighbor-bump: 2.45739 Ang H4.CD2 and P5.CD neighbor-bump: 2.58316 Ang H4.ND1 and P5.CD self-bump: 1.30586 Ang P5.N and P5.CD neighbor-bump: 2.6381 Ang H4.NE2 and P5.CG self-bump: 2.19253 Ang P5.N and P5.CG neighbor-bump: 2.7189 Ang H4.CD2 and P5.N self-bump: 1.37395 Ang H4.CA and H4.CB Number of specific fragments= 1 total=1714 # 1hn4A.88.91 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 88 :AGHPVPDEN 1hn4A 85 :NSKNNACEA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32108 Ang P5.CB and N10.OD1 other bump:2.82477 Ang V6.CG2 and E9.CG other bump:1.70067 Ang A2.O and P5.CD other bump:2.54694 Ang A2.C and P5.CD other bump:2.84671 Ang G3.C and P5.CD neighbor-bump: 2.51551 Ang H4.N and P5.CD other bump:2.20325 Ang A2.O and P5.CG other bump:3.16982 Ang A2.C and P5.CG Number of specific fragments= 1 total=1715 # 1f2tB.88.88 read from T0187.t2k.frag # found chain 1f2tB in template set T0187 88 :AGHPVPDEN 1f2tB 823 :EPTPYLDEE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.97416 Ang D8.OD1 and N10.OD1 neighbor-bump: 1.83403 Ang V6.CG1 and P7.CD neighbor-bump: 2.02904 Ang V6.O and P7.CD neighbor-bump: 1.59372 Ang V6.C and P7.CD self-bump: 2.16654 Ang P7.CA and P7.CD neighbor-bump: 2.66514 Ang V6.CB and P7.CD neighbor-bump: 2.05222 Ang V6.CG1 and P7.CG neighbor-bump: 2.35964 Ang V6.CG1 and P7.N self-bump: 2.47025 Ang V6.CG1 and V6.C self-bump: 1.34868 Ang V6.CA and V6.CB Number of specific fragments= 1 total=1716 # 1irdB.88.94 read from T0187.t2k.frag # found chain 1irdB in template set T0187 88 :AGHPVPDEN 1irdB 295 :KLHVDPENF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1717 # 1gjnA.88.94 read from T0187.t2k.frag # found chain 1gjnA in template set T0187 88 :AGHPVPDEN 1gjnA 95 :TKHKIPIKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1718 # 1fslA.89.93 read from T0187.t2k.frag # found chain 1fslA in template set T0187 89 :GHPVPDENT 1fslA 94 :QKAVTDPQF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2537 Ang P6.CG and N9.ND2 other bump:2.55647 Ang P6.CD and N9.ND2 other bump:2.9142 Ang P6.CG and N9.CG other bump:1.8942 Ang P4.O and P6.CD other bump:2.50851 Ang P4.C and P6.CD other bump:2.84167 Ang G2.C and P4.CD neighbor-bump: 2.41933 Ang H3.N and P4.CD Number of specific fragments= 1 total=1719 # 1binA.89.93 read from T0187.t2k.frag # found chain 1binA in template set T0187 89 :GHPVPDENT 1binA 94 :QKAVTDPQF Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90866 Ang P4.C and N9.ND2 other bump:2.30331 Ang P6.CD and N9.ND2 other bump:1.74674 Ang P4.O and N9.ND2 other bump:2.23326 Ang P6.CG and N9.ND2 other bump:2.77965 Ang P6.CG and N9.CG self-bump: 2.33372 Ang P6.N and P6.O other bump:1.85325 Ang P4.C and P6.CD neighbor-bump: 2.56066 Ang V5.N and P6.CD other bump:2.86065 Ang P4.CA and P6.CD other bump:1.45812 Ang P4.O and P6.CD other bump:3.27108 Ang P4.C and P6.CG other bump:2.5348 Ang P4.O and P6.CG self-bump: 1.30586 Ang P4.N and P4.CD neighbor-bump: 2.31229 Ang H3.CG and P4.CD neighbor-bump: 2.58316 Ang H3.ND1 and P4.CD neighbor-bump: 2.45739 Ang H3.CD2 and P4.CD self-bump: 2.19253 Ang P4.N and P4.CG neighbor-bump: 2.6381 Ang H3.NE2 and P4.CG neighbor-bump: 2.7189 Ang H3.CD2 and P4.N self-bump: 1.37395 Ang H3.CA and H3.CB Number of specific fragments= 1 total=1720 # 1irdB.89.95 read from T0187.t2k.frag # found chain 1irdB in template set T0187 89 :GHPVPDENT 1irdB 296 :LHVDPENFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1721 # 1hn4A.89.92 read from T0187.t2k.frag # found chain 1hn4A in template set T0187 89 :GHPVPDENT 1hn4A 86 :SKNNACEAF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32107 Ang P4.CB and N9.OD1 other bump:2.82477 Ang V5.CG2 and E8.CG other bump:1.70067 Ang G1.O and P4.CD other bump:2.54694 Ang G1.C and P4.CD other bump:2.84671 Ang G2.C and P4.CD neighbor-bump: 2.51551 Ang H3.N and P4.CD other bump:2.20325 Ang G1.O and P4.CG other bump:3.16982 Ang G1.C and P4.CG Number of specific fragments= 1 total=1722 # 1f2tB.89.89 read from T0187.t2k.frag # found chain 1f2tB in template set T0187 89 :GHPVPDENT 1f2tB 824 :PTPYLDEER Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48223 Ang H3.CG and T10.CG2 other bump:1.77915 Ang H3.CD2 and T10.CG2 other bump:2.61907 Ang H3.NE2 and T10.CG2 other bump:1.97417 Ang D7.OD1 and N9.OD1 self-bump: 2.16654 Ang P6.CA and P6.CD neighbor-bump: 2.66514 Ang V5.CB and P6.CD neighbor-bump: 1.83403 Ang V5.CG1 and P6.CD neighbor-bump: 2.02904 Ang V5.O and P6.CD neighbor-bump: 1.59372 Ang V5.C and P6.CD neighbor-bump: 2.05222 Ang V5.CG1 and P6.CG neighbor-bump: 2.35964 Ang V5.CG1 and P6.N self-bump: 2.47025 Ang V5.CG1 and V5.C self-bump: 1.34868 Ang V5.CA and V5.CB Number of specific fragments= 1 total=1723 # 1babB.89.95 read from T0187.t2k.frag # adding 1babB to template set 1babB:# found chain 1babB in template set T0187 89 :GHPVPDENT 1babB 96 :LHVDPENFR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.62095 Ang H3.N and P4.CD other bump:2.75006 Ang G2.C and P4.CD Number of specific fragments= 1 total=1724 # 1fslA.90.94 read from T0187.t2k.frag # found chain 1fslA in template set T0187 90 :HPVPDENTI 1fslA 95 :KAVTDPQFV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2537 Ang P5.CG and N8.ND2 other bump:2.55647 Ang P5.CD and N8.ND2 other bump:2.9142 Ang P5.CG and N8.CG other bump:1.8942 Ang P3.O and P5.CD other bump:2.50851 Ang P3.C and P5.CD other bump:2.84168 Ang G1.C and P3.CD neighbor-bump: 2.41933 Ang H2.N and P3.CD Number of specific fragments= 1 total=1725 # 1binA.90.94 read from T0187.t2k.frag # found chain 1binA in template set T0187 90 :HPVPDENTI 1binA 95 :KAVTDPQFV Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90866 Ang P3.C and N8.ND2 other bump:2.23326 Ang P5.CG and N8.ND2 other bump:2.30331 Ang P5.CD and N8.ND2 other bump:1.74674 Ang P3.O and N8.ND2 other bump:2.77965 Ang P5.CG and N8.CG self-bump: 2.33372 Ang P5.N and P5.O other bump:1.85325 Ang P3.C and P5.CD neighbor-bump: 2.56066 Ang V4.N and P5.CD other bump:2.86065 Ang P3.CA and P5.CD other bump:1.45812 Ang P3.O and P5.CD other bump:3.27108 Ang P3.C and P5.CG other bump:2.5348 Ang P3.O and P5.CG self-bump: 1.30586 Ang P3.N and P3.CD neighbor-bump: 2.31228 Ang H2.CG and P3.CD neighbor-bump: 2.45738 Ang H2.CD2 and P3.CD neighbor-bump: 2.58316 Ang H2.ND1 and P3.CD self-bump: 2.19254 Ang P3.N and P3.CG neighbor-bump: 2.63809 Ang H2.NE2 and P3.CG neighbor-bump: 2.71889 Ang H2.CD2 and P3.N self-bump: 1.37394 Ang H2.CA and H2.CB Number of specific fragments= 1 total=1726 # 1irdB.90.96 read from T0187.t2k.frag # found chain 1irdB in template set T0187 90 :HPVPDENTI 1irdB 297 :HVDPENFRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1727 # 1babB.90.96 read from T0187.t2k.frag # found chain 1babB in template set T0187 90 :HPVPDENTI 1babB 97 :HVDPENFRL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75006 Ang G1.C and P3.CD neighbor-bump: 2.62095 Ang H2.N and P3.CD Number of specific fragments= 1 total=1728 # 1spgB.90.96 read from T0187.t2k.frag # adding 1spgB to template set 1spgB:# found chain 1spgB in template set T0187 90 :HPVPDENTI 1spgB 97 :HVDPDNFRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1729 # 1a7vA.90.93 read from T0187.t2k.frag # adding 1a7vA to template set 1a7vA:# found chain 1a7vA in template set T0187 90 :HPVPDENTI 1a7vA 94 :GTIKDEASL Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72262 Ang V4.CG2 and I10.CG1 other bump:2.19102 Ang P3.O and T9.CG2 other bump:3.18286 Ang P3.C and T9.CG2 other bump:3.21017 Ang V4.CA and T9.CG2 neighbor-bump: 2.78639 Ang H2.CD2 and P3.CD neighbor-bump: 2.48844 Ang H2.CG and P3.CD neighbor-bump: 2.01823 Ang H2.C and P3.CD neighbor-bump: 2.7967 Ang H2.ND1 and P3.CD neighbor-bump: 2.46408 Ang H2.N and P3.CD neighbor-bump: 2.43147 Ang H2.CA and P3.CD self-bump: 1.33966 Ang P3.N and P3.CD neighbor-bump: 2.68699 Ang H2.CD2 and P3.CG neighbor-bump: 2.72096 Ang H2.NE2 and P3.CG neighbor-bump: 3.09223 Ang H2.CG and P3.CG self-bump: 2.20832 Ang P3.N and P3.CG Number of specific fragments= 1 total=1730 # 1fslA.91.95 read from T0187.t2k.frag # found chain 1fslA in template set T0187 91 :PVPDENTIK 1fslA 96 :AVTDPQFVV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2537 Ang P4.CG and N7.ND2 other bump:2.55647 Ang P4.CD and N7.ND2 other bump:2.9142 Ang P4.CG and N7.CG other bump:1.8942 Ang P2.O and P4.CD other bump:2.50851 Ang P2.C and P4.CD Number of specific fragments= 1 total=1731 # 1binA.91.95 read from T0187.t2k.frag # found chain 1binA in template set T0187 91 :PVPDENTIK 1binA 96 :AVTDPQFVV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.90866 Ang P2.C and N7.ND2 other bump:1.74674 Ang P2.O and N7.ND2 other bump:2.30331 Ang P4.CD and N7.ND2 other bump:2.23326 Ang P4.CG and N7.ND2 other bump:2.77965 Ang P4.CG and N7.CG self-bump: 2.33372 Ang P4.N and P4.O other bump:2.86065 Ang P2.CA and P4.CD other bump:1.85325 Ang P2.C and P4.CD neighbor-bump: 2.56066 Ang V3.N and P4.CD other bump:1.45812 Ang P2.O and P4.CD other bump:3.27108 Ang P2.C and P4.CG other bump:2.5348 Ang P2.O and P4.CG Number of specific fragments= 1 total=1732 # 1irdB.91.97 read from T0187.t2k.frag # found chain 1irdB in template set T0187 91 :PVPDENTIK 1irdB 298 :VDPENFRLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1733 # 1cg5A.91.93 read from T0187.t2k.frag # adding 1cg5A to template set 1cg5A:# found chain 1cg5A in template set T0187 91 :PVPDENTIK 1cg5A 94 :VDPHNFHLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1734 # 1babB.91.97 read from T0187.t2k.frag # found chain 1babB in template set T0187 91 :PVPDENTIK 1babB 98 :VDPENFRLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.37769 Ang P2.CA and P2.CB Number of specific fragments= 1 total=1735 # 1ffkI.91.91 read from T0187.t2k.frag # adding 1ffkI to template set 1ffkI:# found chain 1ffkI in template set Number of specific fragments= 0 total=1735 # 1fslA.92.96 read from T0187.t2k.frag # found chain 1fslA in template set T0187 92 :VPDENTIKT 1fslA 97 :VTDPQFVVV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55647 Ang P3.CD and N6.ND2 other bump:2.2537 Ang P3.CG and N6.ND2 other bump:2.9142 Ang P3.CG and N6.CG other bump:1.8942 Ang G1.O and P3.CD other bump:2.50851 Ang G1.C and P3.CD Number of specific fragments= 1 total=1736 # 1binA.92.96 read from T0187.t2k.frag # found chain 1binA in template set T0187 92 :VPDENTIKT 1binA 97 :VTDPQFVVV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.74674 Ang G1.O and N6.ND2 other bump:2.90866 Ang G1.C and N6.ND2 other bump:2.30331 Ang P3.CD and N6.ND2 other bump:2.23326 Ang P3.CG and N6.ND2 other bump:2.77965 Ang P3.CG and N6.CG self-bump: 2.33372 Ang P3.N and P3.O other bump:1.45812 Ang G1.O and P3.CD other bump:1.85325 Ang G1.C and P3.CD neighbor-bump: 2.56066 Ang V2.N and P3.CD other bump:2.5348 Ang G1.O and P3.CG other bump:3.27108 Ang G1.C and P3.CG Number of specific fragments= 1 total=1737 # 1ffkI.92.92 read from T0187.t2k.frag # found chain 1ffkI in template set Number of specific fragments= 0 total=1737 # 1cg5A.92.94 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 92 :VPDENTIKT 1cg5A 95 :DPHNFHLFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1738 # 1irdB.92.98 read from T0187.t2k.frag # found chain 1irdB in template set T0187 92 :VPDENTIKT 1irdB 299 :DPENFRLLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1739 # 1a7vA.92.95 read from T0187.t2k.frag # found chain 1a7vA in template set T0187 92 :VPDENTIKT 1a7vA 96 :IKDEASLKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72262 Ang V2.CG2 and I8.CG1 other bump:2.19102 Ang G1.O and T7.CG2 other bump:3.18286 Ang G1.C and T7.CG2 other bump:3.21017 Ang V2.CA and T7.CG2 Number of specific fragments= 1 total=1740 # 1fslA.93.97 read from T0187.t2k.frag # found chain 1fslA in template set T0187 93 :PDENTIKTT 1fslA 98 :TDPQFVVVK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55647 Ang P2.CD and N5.ND2 other bump:2.2537 Ang P2.CG and N5.ND2 other bump:2.9142 Ang P2.CG and N5.CG Number of specific fragments= 1 total=1741 # 1binA.93.97 read from T0187.t2k.frag # found chain 1binA in template set T0187 93 :PDENTIKTT 1binA 98 :TDPQFVVVK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.30331 Ang P2.CD and N5.ND2 other bump:2.23326 Ang P2.CG and N5.ND2 other bump:2.77965 Ang P2.CG and N5.CG self-bump: 2.33372 Ang P2.N and P2.O Number of specific fragments= 1 total=1742 # 1ffkI.93.93 read from T0187.t2k.frag # found chain 1ffkI in template set Number of specific fragments= 0 total=1742 # 1cg5A.93.95 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 93 :PDENTIKTT 1cg5A 96 :PHNFHLFAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1743 # 1jyaA.93.97 read from T0187.t2k.frag # found chain 1jyaA in template set T0187 93 :PDENTIKTT 1jyaA 98 :LDNNSLYTQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03112 Ang D3.N and T6.CG2 Number of specific fragments= 1 total=1744 # 1irdB.93.99 read from T0187.t2k.frag # found chain 1irdB in template set T0187 93 :PDENTIKTT 1irdB 300 :PENFRLLGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1745 # 1fslA.94.98 read from T0187.t2k.frag # found chain 1fslA in template set T0187 94 :DENTIKTTR 1fslA 99 :DPQFVVVKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48528 Ang I6.O and T9.CG2 Number of specific fragments= 1 total=1746 # 1lc0A.94.97 read from T0187.t2k.frag # adding 1lc0A to template set 1lc0A:# found chain 1lc0A in template set T0187 94 :DENTIKTTR 1lc0A 99 :MTLSFAAAQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46042 Ang T5.OG1 and T8.OG1 other bump:2.90677 Ang E3.CD and T8.CG2 other bump:2.7837 Ang E3.OE1 and T8.CG2 other bump:2.70182 Ang T5.OG1 and T8.CB Number of specific fragments= 1 total=1747 # 1gcuA.94.98 read from T0187.t2k.frag # adding 1gcuA to template set 1gcuA:# found chain 1gcuA in template set T0187 94 :DENTIKTTR 1gcuA 99 :MTLSFAAAQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48907 Ang T5.OG1 and T8.OG1 other bump:2.99215 Ang E3.CD and T8.CG2 neighbor-bump: 2.52081 Ang N4.O and T5.CG2 neighbor-bump: 2.89138 Ang N4.C and T5.CG2 Number of specific fragments= 1 total=1748 # 1binA.94.98 read from T0187.t2k.frag # found chain 1binA in template set T0187 94 :DENTIKTTR 1binA 99 :DPQFVVVKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1749 # 1cg5A.94.96 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 94 :DENTIKTTR 1cg5A 97 :HNFHLFADC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1750 # 1jyaA.94.98 read from T0187.t2k.frag # found chain 1jyaA in template set T0187 94 :DENTIKTTR 1jyaA 99 :DNNSLYTQL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03112 Ang D2.N and T5.CG2 Number of specific fragments= 1 total=1751 # 1gcuA.95.99 read from T0187.t2k.frag # found chain 1gcuA in template set T0187 95 :ENTIKTTRR 1gcuA 100 :TLSFAAAQE Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69943 Ang E2.CD and T8.OG1 other bump:2.42433 Ang E2.OE2 and T8.CA other bump:2.55267 Ang E2.CD and T8.CA other bump:2.3429 Ang E2.OE1 and T8.CA other bump:1.64164 Ang E2.OE2 and T8.N other bump:2.38547 Ang E2.CD and T8.N other bump:2.06149 Ang E2.OE2 and T7.C other bump:2.62289 Ang E2.CD and T7.C other bump:2.59514 Ang E2.OE1 and T7.C other bump:2.48907 Ang T4.OG1 and T7.OG1 other bump:3.06793 Ang E2.CD and T7.CG2 other bump:2.54867 Ang E2.OE2 and T7.CB other bump:2.68885 Ang E2.OE2 and T7.CA neighbor-bump: 2.52081 Ang N3.O and T4.CG2 neighbor-bump: 2.89138 Ang N3.C and T4.CG2 Number of specific fragments= 1 total=1752 # 1lc0A.95.98 read from T0187.t2k.frag # found chain 1lc0A in template set T0187 95 :ENTIKTTRR 1lc0A 100 :TLSFAAAQE Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60316 Ang E2.CD and T8.OG1 other bump:3.15778 Ang E2.CD and T8.CB other bump:2.22793 Ang E2.OE1 and T8.CA other bump:2.52791 Ang E2.CD and T8.CA other bump:2.46024 Ang E2.OE2 and T8.CA other bump:2.41465 Ang E2.OE1 and T8.N other bump:2.29347 Ang E2.CD and T8.N other bump:1.63904 Ang E2.OE2 and T8.N other bump:2.49591 Ang E2.OE1 and T7.C other bump:2.62304 Ang E2.CD and T7.C other bump:2.18945 Ang E2.OE2 and T7.C other bump:2.46043 Ang T4.OG1 and T7.OG1 other bump:3.11217 Ang E2.CD and T7.CG2 other bump:2.70182 Ang T4.OG1 and T7.CB other bump:2.6141 Ang E2.OE2 and T7.CB other bump:2.75809 Ang E2.OE2 and T7.CA Number of specific fragments= 1 total=1753 # 1fslA.95.99 read from T0187.t2k.frag # found chain 1fslA in template set T0187 95 :ENTIKTTRR 1fslA 100 :PQFVVVKEA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02345 Ang K6.CE and R10.NE other bump:2.72918 Ang K6.CD and R10.CD other bump:2.02204 Ang K6.CE and R10.CD other bump:2.45537 Ang K6.CE and R10.CG other bump:2.48528 Ang I5.O and T8.CG2 Number of specific fragments= 1 total=1754 # 1binA.95.99 read from T0187.t2k.frag # found chain 1binA in template set T0187 95 :ENTIKTTRR 1binA 100 :PQFVVVKEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1755 # 1cg5A.95.97 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 95 :ENTIKTTRR 1cg5A 98 :NFHLFADCI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1756 # 1ffkI.95.95 read from T0187.t2k.frag # found chain 1ffkI in template set Number of specific fragments= 0 total=1756 # 1lc0A.96.99 read from T0187.t2k.frag # found chain 1lc0A in template set T0187 96 :NTIKTTRRV 1lc0A 101 :LSFAAAQEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1757 # 1gcuA.96.100 read from T0187.t2k.frag # found chain 1gcuA in template set T0187 96 :NTIKTTRRV 1gcuA 101 :LSFAAAQEL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48906 Ang T3.OG1 and T6.OG1 neighbor-bump: 2.52081 Ang N2.O and T3.CG2 neighbor-bump: 2.89138 Ang N2.C and T3.CG2 Number of specific fragments= 1 total=1758 # 1fslA.96.100 read from T0187.t2k.frag # found chain 1fslA in template set T0187 96 :NTIKTTRRV 1fslA 101 :QFVVVKEAL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11875 Ang K5.NZ and R9.NH2 other bump:2.57518 Ang K5.CG and R9.NH2 other bump:1.80151 Ang K5.CD and R9.NH2 other bump:2.23562 Ang K5.CE and R9.NH2 other bump:2.27148 Ang K5.CD and R9.NH1 other bump:2.19177 Ang K5.NZ and R9.CZ other bump:2.85057 Ang K5.CG and R9.CZ other bump:1.46001 Ang K5.CD and R9.CZ other bump:1.5584 Ang K5.CE and R9.CZ other bump:1.71138 Ang K5.NZ and R9.NE other bump:3.09131 Ang K5.CG and R9.NE other bump:1.86247 Ang K5.CD and R9.NE other bump:0.700442 Ang K5.CE and R9.NE other bump:2.86228 Ang K5.CD and R9.CD other bump:1.89833 Ang K5.CE and R9.CD other bump:2.60395 Ang K5.CE and R9.CG other bump:2.48528 Ang I4.O and T7.CG2 Number of specific fragments= 1 total=1759 # 1binA.96.100 read from T0187.t2k.frag # found chain 1binA in template set T0187 96 :NTIKTTRRV 1binA 101 :QFVVVKEAL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91902 Ang T6.CG2 and R9.NH2 other bump:2.27938 Ang K5.CE and R9.NH1 other bump:2.70678 Ang K5.CD and R9.NH1 Number of specific fragments= 1 total=1760 # 1cg5A.96.98 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 96 :NTIKTTRRV 1cg5A 99 :FHLFADCIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1761 # 1ffkI.96.96 read from T0187.t2k.frag # found chain 1ffkI in template set Number of specific fragments= 0 total=1761 # 1fslA.97.101 read from T0187.t2k.frag # found chain 1fslA in template set T0187 97 :TIKTTRRVL 1fslA 102 :FVVVKEALL Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57518 Ang K4.CG and R8.NH2 other bump:1.80151 Ang K4.CD and R8.NH2 other bump:2.11876 Ang K4.NZ and R8.NH2 other bump:2.23562 Ang K4.CE and R8.NH2 other bump:2.27149 Ang K4.CD and R8.NH1 other bump:2.85057 Ang K4.CG and R8.CZ other bump:1.46001 Ang K4.CD and R8.CZ other bump:2.19178 Ang K4.NZ and R8.CZ other bump:1.5584 Ang K4.CE and R8.CZ other bump:3.09132 Ang K4.CG and R8.NE other bump:1.86247 Ang K4.CD and R8.NE other bump:1.71139 Ang K4.NZ and R8.NE other bump:0.700444 Ang K4.CE and R8.NE other bump:2.86228 Ang K4.CD and R8.CD other bump:1.89833 Ang K4.CE and R8.CD other bump:2.60395 Ang K4.CE and R8.CG other bump:2.48528 Ang I3.O and T6.CG2 Number of specific fragments= 1 total=1762 # 1lc0A.97.100 read from T0187.t2k.frag # found chain 1lc0A in template set T0187 97 :TIKTTRRVL 1lc0A 102 :SFAAAQELW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1763 # 1gcuA.97.101 read from T0187.t2k.frag # found chain 1gcuA in template set T0187 97 :TIKTTRRVL 1gcuA 102 :SFAAAQELW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48907 Ang T2.OG1 and T5.OG1 neighbor-bump: 2.52081 Ang G1.O and T2.CG2 neighbor-bump: 2.89138 Ang G1.C and T2.CG2 Number of specific fragments= 1 total=1764 # 1binA.97.101 read from T0187.t2k.frag # found chain 1binA in template set T0187 97 :TIKTTRRVL 1binA 102 :FVVVKEALL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91902 Ang T5.CG2 and R8.NH2 other bump:2.70678 Ang K4.CD and R8.NH1 other bump:2.27938 Ang K4.CE and R8.NH1 Number of specific fragments= 1 total=1765 # 1cg5A.97.99 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 97 :TIKTTRRVL 1cg5A 100 :HLFADCIVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32277 Ang R7.NH1 and L10.CD1 Number of specific fragments= 1 total=1766 # 1ffkI.97.97 read from T0187.t2k.frag # found chain 1ffkI in template set Number of specific fragments= 0 total=1766 # 1fslA.98.102 read from T0187.t2k.frag # found chain 1fslA in template set T0187 98 :IKTTRRVLE 1fslA 103 :VVVKEALLK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11876 Ang K3.NZ and R7.NH2 other bump:2.57518 Ang K3.CG and R7.NH2 other bump:1.80151 Ang K3.CD and R7.NH2 other bump:2.23562 Ang K3.CE and R7.NH2 other bump:2.27149 Ang K3.CD and R7.NH1 other bump:2.19178 Ang K3.NZ and R7.CZ other bump:2.85057 Ang K3.CG and R7.CZ other bump:1.46002 Ang K3.CD and R7.CZ other bump:1.5584 Ang K3.CE and R7.CZ other bump:1.71139 Ang K3.NZ and R7.NE other bump:3.09131 Ang K3.CG and R7.NE other bump:1.86247 Ang K3.CD and R7.NE other bump:0.700444 Ang K3.CE and R7.NE other bump:2.86228 Ang K3.CD and R7.CD other bump:1.89833 Ang K3.CE and R7.CD other bump:2.60395 Ang K3.CE and R7.CG other bump:2.48528 Ang I2.O and T5.CG2 Number of specific fragments= 1 total=1767 # 1lc0A.98.101 read from T0187.t2k.frag # found chain 1lc0A in template set T0187 98 :IKTTRRVLE 1lc0A 103 :FAAAQELWE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1768 # 1binA.98.102 read from T0187.t2k.frag # found chain 1binA in template set T0187 98 :IKTTRRVLE 1binA 103 :VVVKEALLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91902 Ang T4.CG2 and R7.NH2 Number of specific fragments= 1 total=1769 # 1gcuA.98.102 read from T0187.t2k.frag # found chain 1gcuA in template set T0187 98 :IKTTRRVLE 1gcuA 103 :FAAAQELWE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1770 # 1cg5A.98.100 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 98 :IKTTRRVLE 1cg5A 101 :LFADCIVVT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.54894 Ang R6.O and E10.OE1 other bump:2.19332 Ang R6.C and E10.OE1 other bump:2.27062 Ang R7.CA and E10.OE1 other bump:2.68002 Ang R7.C and E10.OE1 other bump:2.22863 Ang R6.O and E10.CD other bump:2.96004 Ang R6.C and E10.CD other bump:2.32277 Ang R6.NH1 and L9.CD1 Number of specific fragments= 1 total=1771 # 1hurA.98.99 read from T0187.t2k.frag # adding 1hurA to template set 1hurA:# found chain 1hurA in template set T0187 98 :IKTTRRVLE 1hurA 101 :NEAREELMR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1772 # 1fslA.99.103 read from T0187.t2k.frag # found chain 1fslA in template set T0187 99 :KTTRRVLEL 1fslA 104 :VVKEALLKT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43518 Ang K2.CG and R6.NH2 other bump:2.05486 Ang K2.CD and R6.NH2 other bump:1.10195 Ang K2.CE and R6.NH2 other bump:0.769219 Ang K2.NZ and R6.NH2 other bump:1.88703 Ang K2.NZ and R6.NH1 other bump:2.62866 Ang K2.CG and R6.CZ other bump:2.34862 Ang K2.CE and R6.CZ other bump:1.28545 Ang K2.NZ and R6.CZ other bump:3.00392 Ang K2.CG and R6.NE other bump:2.45242 Ang K2.NZ and R6.NE other bump:2.48528 Ang G1.O and T4.CG2 Number of specific fragments= 1 total=1773 # 1binA.99.103 read from T0187.t2k.frag # found chain 1binA in template set T0187 99 :KTTRRVLEL 1binA 104 :VVKEALLKT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91902 Ang T3.CG2 and R6.NH2 Number of specific fragments= 1 total=1774 # 1lc0A.99.102 read from T0187.t2k.frag # found chain 1lc0A in template set T0187 99 :KTTRRVLEL 1lc0A 104 :AAAQELWEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1775 # 1gcuA.99.103 read from T0187.t2k.frag # found chain 1gcuA in template set T0187 99 :KTTRRVLEL 1gcuA 104 :AAAQELWEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1776 # 1a6m.99.105 read from T0187.t2k.frag # found chain 1a6m in training set T0187 99 :KTTRRVLEL 1a6m 106 :FISEAIIHV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1777 # 1hurA.99.100 read from T0187.t2k.frag # found chain 1hurA in template set T0187 99 :KTTRRVLEL 1hurA 102 :EAREELMRM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1778 # 1fslA.100.104 read from T0187.t2k.frag # found chain 1fslA in template set T0187 100 :TTRRVLELV 1fslA 105 :VKEALLKTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1779 # 1binA.100.104 read from T0187.t2k.frag # found chain 1binA in template set T0187 100 :TTRRVLELV 1binA 105 :VKEALLKTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1780 # 1lc0A.100.103 read from T0187.t2k.frag # found chain 1lc0A in template set T0187 100 :TTRRVLELV 1lc0A 105 :AAQELWELA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1781 # 1fzqA.100.101 read from T0187.t2k.frag # adding 1fzqA to template set 1fzqA:Skipped atom 27, because occupancy 0.5 <= existing 0.500001 Skipped atom 139, because occupancy 0.5 <= existing 0.500001 Skipped atom 141, because occupancy 0.5 <= existing 0.500001 Skipped atom 143, because occupancy 0.5 <= existing 0.500001 Skipped atom 145, because occupancy 0.5 <= existing 0.500001 Skipped atom 147, because occupancy 0.5 <= existing 0.500001 Skipped atom 424, because occupancy 0.5 <= existing 0.500001 Skipped atom 426, because occupancy 0.5 <= existing 0.500001 Skipped atom 695, because occupancy 0.5 <= existing 0.500001 Skipped atom 697, because occupancy 0.5 <= existing 0.500001 Skipped atom 699, because occupancy 0.5 <= existing 0.500001 Skipped atom 807, because occupancy 0.5 <= existing 0.500001 Skipped atom 809, because occupancy 0.5 <= existing 0.500001 Skipped atom 811, because occupancy 0.5 <= existing 0.500001 Skipped atom 813, because occupancy 0.5 <= existing 0.500001 Skipped atom 815, because occupancy 0.5 <= existing 0.500001 Skipped atom 817, because occupancy 0.5 <= existing 0.500001 Skipped atom 955, because occupancy 0.5 <= existing 0.500001 Skipped atom 1149, because occupancy 0.5 <= existing 0.500001 Skipped atom 1151, because occupancy 0.5 <= existing 0.500001 Skipped atom 1153, because occupancy 0.5 <= existing 0.500001 Skipped atom 1270, because occupancy 0.5 <= existing 0.500001 # found chain 1fzqA in template set T0187 100 :TTRRVLELV 1fzqA 103 :TGQELTELL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1782 # 1a6m.100.106 read from T0187.t2k.frag # found chain 1a6m in training set T0187 100 :TTRRVLELV 1a6m 107 :ISEAIIHVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1783 # 1gcuA.100.104 read from T0187.t2k.frag # found chain 1gcuA in template set T0187 100 :TTRRVLELV 1gcuA 105 :AAQELWELA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1784 # 1fslA.101.105 read from T0187.t2k.frag # found chain 1fslA in template set T0187 101 :TRRVLELVD 1fslA 106 :KEALLKTIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1785 # 1binA.101.105 read from T0187.t2k.frag # found chain 1binA in template set T0187 101 :TRRVLELVD 1binA 106 :KEALLKTIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1786 # 1fzqA.101.102 read from T0187.t2k.frag # found chain 1fzqA in template set T0187 101 :TRRVLELVD 1fzqA 104 :GQELTELLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1787 # 1a6m.101.107 read from T0187.t2k.frag # found chain 1a6m in training set T0187 101 :TRRVLELVD 1a6m 108 :SEAIIHVLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1788 # 1hurA.101.102 read from T0187.t2k.frag # found chain 1hurA in template set T0187 101 :TRRVLELVD 1hurA 104 :REELMRMLA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.6114 Ang E7.O and D10.OD1 other bump:1.74637 Ang E7.C and D10.OD1 other bump:2.12322 Ang L6.O and D10.OD1 other bump:2.83141 Ang L6.C and D10.OD1 other bump:2.21952 Ang E7.CA and D10.OD1 other bump:2.22879 Ang E7.O and D10.CG other bump:2.79176 Ang E7.C and D10.CG other bump:3.03381 Ang E7.CA and D10.CG Number of specific fragments= 1 total=1789 # 1lc0A.101.104 read from T0187.t2k.frag # found chain 1lc0A in template set T0187 101 :TRRVLELVD 1lc0A 106 :AQELWELAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1790 # 1fslA.102.106 read from T0187.t2k.frag # found chain 1fslA in template set T0187 102 :RRVLELVDQ 1fslA 107 :EALLKTIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1791 # 1qhxA.102.102 read from T0187.t2k.frag # adding 1qhxA to template set 1qhxA:# found chain 1qhxA in template set T0187 102 :RRVLELVDQ 1qhxA 103 :ERWRSFVGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.72363 Ang D9.CB and Q10.OE1 self-bump: 1.29245 Ang D9.CA and D9.CB Number of specific fragments= 1 total=1792 # 1binA.102.106 read from T0187.t2k.frag # found chain 1binA in template set T0187 102 :RRVLELVDQ 1binA 107 :EALLKTIKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1793 # 1qhsA.102.102 read from T0187.t2k.frag # adding 1qhsA to template set 1qhsA:# found chain 1qhsA in template set T0187 102 :RRVLELVDQ 1qhsA 103 :ERWRSFVGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.76511 Ang D9.CB and Q10.OE1 self-bump: 2.21782 Ang D9.CB and D9.C self-bump: 1.28362 Ang D9.CA and D9.CB Number of specific fragments= 1 total=1794 # 1g38A.102.105 read from T0187.t2k.frag # adding 1g38A to template set 1g38A:# found chain 1g38A in template set T0187 102 :RRVLELVDQ 1g38A 126 :KDLYKKAFS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.22242 Ang V8.CG1 and D9.OD1 Number of specific fragments= 1 total=1795 # 1hurA.102.103 read from T0187.t2k.frag # found chain 1hurA in template set T0187 102 :RRVLELVDQ 1hurA 105 :EELMRMLAE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12322 Ang L5.O and D9.OD1 other bump:2.8314 Ang L5.C and D9.OD1 other bump:2.21951 Ang E6.CA and D9.OD1 other bump:1.61141 Ang E6.O and D9.OD1 other bump:1.74639 Ang E6.C and D9.OD1 other bump:3.03382 Ang E6.CA and D9.CG other bump:2.22882 Ang E6.O and D9.CG other bump:2.79178 Ang E6.C and D9.CG Number of specific fragments= 1 total=1796 # 1qhxA.103.103 read from T0187.t2k.frag # found chain 1qhxA in template set T0187 103 :RVLELVDQL 1qhxA 104 :RWRSFVGDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29245 Ang D8.CA and D8.CB Number of specific fragments= 1 total=1797 # 1qhsA.103.103 read from T0187.t2k.frag # found chain 1qhsA in template set T0187 103 :RVLELVDQL 1qhsA 104 :RWRSFVGDL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21782 Ang D8.CB and D8.C self-bump: 1.28362 Ang D8.CA and D8.CB Number of specific fragments= 1 total=1798 # 1g38A.103.106 read from T0187.t2k.frag # found chain 1g38A in template set T0187 103 :RVLELVDQL 1g38A 127 :DLYKKAFST Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.22242 Ang V7.CG1 and D8.OD1 Number of specific fragments= 1 total=1799 # 1hurA.103.104 read from T0187.t2k.frag # found chain 1hurA in template set T0187 103 :RVLELVDQL 1hurA 106 :ELMRMLAED Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12321 Ang L4.O and D8.OD1 other bump:2.8314 Ang L4.C and D8.OD1 other bump:2.21952 Ang E5.CA and D8.OD1 other bump:1.61142 Ang E5.O and D8.OD1 other bump:1.74639 Ang E5.C and D8.OD1 other bump:3.03382 Ang E5.CA and D8.CG other bump:2.22882 Ang E5.O and D8.CG other bump:2.79179 Ang E5.C and D8.CG Number of specific fragments= 1 total=1800 # 1fslA.103.107 read from T0187.t2k.frag # found chain 1fslA in template set T0187 103 :RVLELVDQL 1fslA 108 :ALLKTIKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1801 # 1binA.103.107 read from T0187.t2k.frag # found chain 1binA in template set T0187 103 :RVLELVDQL 1binA 108 :ALLKTIKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1802 # 1qhxA.104.104 read from T0187.t2k.frag # found chain 1qhxA in template set T0187 104 :VLELVDQLN 1qhxA 105 :WRSFVGDLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29245 Ang D7.CA and D7.CB Number of specific fragments= 1 total=1803 # 1qhsA.104.104 read from T0187.t2k.frag # found chain 1qhsA in template set T0187 104 :VLELVDQLN 1qhsA 105 :WRSFVGDLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21782 Ang D7.CB and D7.C self-bump: 1.28362 Ang D7.CA and D7.CB Number of specific fragments= 1 total=1804 # 1g38A.104.107 read from T0187.t2k.frag # found chain 1g38A in template set T0187 104 :VLELVDQLN 1g38A 128 :LYKKAFSTW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.22242 Ang V6.CG1 and D7.OD1 Number of specific fragments= 1 total=1805 # 1cg5A.104.106 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 104 :VLELVDQLN 1cg5A 107 :VVTLAVNLQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36755 Ang N10.CA and N10.CB other bump:2.68002 Ang G1.C and E4.OE1 Number of specific fragments= 1 total=1806 # 1hurA.104.105 read from T0187.t2k.frag # found chain 1hurA in template set T0187 104 :VLELVDQLN 1hurA 107 :LMRMLAEDE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.14049 Ang N10.CB and N10.C other bump:1.61142 Ang E4.O and D7.OD1 other bump:2.12321 Ang L3.O and D7.OD1 other bump:2.83139 Ang L3.C and D7.OD1 other bump:2.21951 Ang E4.CA and D7.OD1 other bump:1.74639 Ang E4.C and D7.OD1 other bump:2.22882 Ang E4.O and D7.CG other bump:3.03382 Ang E4.CA and D7.CG other bump:2.79179 Ang E4.C and D7.CG Number of specific fragments= 1 total=1807 # 1a6m.104.110 read from T0187.t2k.frag # found chain 1a6m in training set T0187 104 :VLELVDQLN 1a6m 111 :IIHVLHSRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1808 # 1qhxA.105.105 read from T0187.t2k.frag # found chain 1qhxA in template set T0187 105 :LELVDQLNE 1qhxA 106 :RSFVGDLDV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29245 Ang D6.CA and D6.CB Number of specific fragments= 1 total=1809 # 1qhsA.105.105 read from T0187.t2k.frag # found chain 1qhsA in template set T0187 105 :LELVDQLNE 1qhsA 106 :RSFVGDLDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21782 Ang D6.CB and D6.C self-bump: 1.28362 Ang D6.CA and D6.CB Number of specific fragments= 1 total=1810 # 1g38A.105.108 read from T0187.t2k.frag # found chain 1g38A in template set T0187 105 :LELVDQLNE 1g38A 129 :YKKAFSTWK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85521 Ang D6.CA and N9.ND2 other bump:2.30957 Ang D6.CB and N9.ND2 neighbor-bump: 3.22242 Ang V5.CG1 and D6.OD1 Number of specific fragments= 1 total=1811 # 1a6m.105.111 read from T0187.t2k.frag # found chain 1a6m in training set T0187 105 :LELVDQLNE 1a6m 112 :IHVLHSRHP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10609 Ang Q7.O and E10.OE2 other bump:2.68257 Ang Q7.C and E10.OE2 Number of specific fragments= 1 total=1812 # 1cg5A.105.107 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 105 :LELVDQLNE 1cg5A 108 :VTLAVNLQA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.17109 Ang N9.OD1 and E10.N self-bump: 1.38711 Ang N9.CA and N9.CB Number of specific fragments= 1 total=1813 # 1fslA.105.109 read from T0187.t2k.frag # found chain 1fslA in template set T0187 105 :LELVDQLNE 1fslA 110 :LKTIKAAVG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48592 Ang E10.CB and G11.N neighbor-bump: 2.29802 Ang E10.CG and G11.N self-bump: 2.18395 Ang E10.CB and E10.C self-bump: 2.48669 Ang E10.CG and E10.C self-bump: 1.2661 Ang E10.CA and E10.CB Number of specific fragments= 1 total=1814 # 1qhxA.106.106 read from T0187.t2k.frag # found chain 1qhxA in template set T0187 106 :ELVDQLNEN 1qhxA 107 :SFVGDLDVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29245 Ang D5.CA and D5.CB Number of specific fragments= 1 total=1815 # 1qhsA.106.106 read from T0187.t2k.frag # found chain 1qhsA in template set T0187 106 :ELVDQLNEN 1qhsA 107 :SFVGDLDVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21782 Ang D5.CB and D5.C self-bump: 1.28362 Ang D5.CA and D5.CB Number of specific fragments= 1 total=1816 # 1cg5A.106.108 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 106 :ELVDQLNEN 1cg5A 109 :TLAVNLQAF Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97008 Ang V4.CG2 and N10.OD1 neighbor-bump: 2.17109 Ang N8.OD1 and E9.N self-bump: 1.38711 Ang N8.CA and N8.CB Number of specific fragments= 1 total=1817 # 1a6m.106.112 read from T0187.t2k.frag # found chain 1a6m in training set T0187 106 :ELVDQLNEN 1a6m 113 :HVLHSRHPG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10609 Ang Q6.O and E9.OE2 other bump:2.68257 Ang Q6.C and E9.OE2 Number of specific fragments= 1 total=1818 # 1bzpA.106.112 read from T0187.t2k.frag # adding 1bzpA to template set 1bzpA:Skipped atom 255, because occupancy 0.39 <= existing 0.610001 Skipped atom 257, because occupancy 0.39 <= existing 0.610001 Skipped atom 259, because occupancy 0.39 <= existing 0.610001 Skipped atom 261, because occupancy 0.39 <= existing 0.610001 Skipped atom 263, because occupancy 0.39 <= existing 0.610001 Skipped atom 265, because occupancy 0.39 <= existing 0.610001 Skipped atom 267, because occupancy 0.39 <= existing 0.610001 Skipped atom 292, because occupancy 0.37 <= existing 0.630001 Skipped atom 294, because occupancy 0.37 <= existing 0.630001 Skipped atom 296, because occupancy 0.37 <= existing 0.630001 Skipped atom 298, because occupancy 0.37 <= existing 0.630001 Skipped atom 300, because occupancy 0.37 <= existing 0.630001 Skipped atom 306, because occupancy 0.15 <= existing 0.850001 Skipped atom 308, because occupancy 0.15 <= existing 0.850001 Skipped atom 355, because occupancy 0.35 <= existing 0.650001 Skipped atom 357, because occupancy 0.35 <= existing 0.650001 Skipped atom 359, because occupancy 0.35 <= existing 0.650001 Skipped atom 361, because occupancy 0.35 <= existing 0.650001 Skipped atom 363, because occupancy 0.35 <= existing 0.650001 Skipped atom 401, because occupancy 0.34 <= existing 0.660001 Skipped atom 403, because occupancy 0.34 <= existing 0.660001 Skipped atom 405, because occupancy 0.34 <= existing 0.660001 Skipped atom 407, because occupancy 0.34 <= existing 0.660001 Skipped atom 409, because occupancy 0.34 <= existing 0.660001 Skipped atom 411, because occupancy 0.34 <= existing 0.660001 Skipped atom 413, because occupancy 0.34 <= existing 0.660001 Skipped atom 504, because occupancy 0.35 <= existing 0.650001 Skipped atom 506, because occupancy 0.35 <= existing 0.650001 Skipped atom 508, because occupancy 0.35 <= existing 0.650001 Skipped atom 510, because occupancy 0.35 <= existing 0.650001 Skipped atom 512, because occupancy 0.35 <= existing 0.650001 Skipped atom 694, because occupancy 0.42 <= existing 0.580001 Skipped atom 696, because occupancy 0.42 <= existing 0.580001 Skipped atom 698, because occupancy 0.42 <= existing 0.580001 Skipped atom 746, because occupancy 0.5 <= existing 0.500001 Skipped atom 748, because occupancy 0.5 <= existing 0.500001 Skipped atom 783, because occupancy 0.26 <= existing 0.740001 Skipped atom 785, because occupancy 0.26 <= existing 0.740001 Skipped atom 1003, because occupancy 0.31 <= existing 0.690001 Skipped atom 1005, because occupancy 0.31 <= existing 0.690001 Skipped atom 1007, because occupancy 0.31 <= existing 0.690001 Skipped atom 1009, because occupancy 0.31 <= existing 0.690001 Skipped atom 1031, because occupancy 0.37 <= existing 0.630001 Skipped atom 1033, because occupancy 0.37 <= existing 0.630001 Skipped atom 1035, because occupancy 0.37 <= existing 0.630001 Skipped atom 1037, because occupancy 0.37 <= existing 0.630001 Skipped atom 1039, because occupancy 0.37 <= existing 0.630001 Skipped atom 1041, because occupancy 0.37 <= existing 0.630001 Skipped atom 1043, because occupancy 0.37 <= existing 0.630001 Skipped atom 1137, because occupancy 0.41 <= existing 0.590001 Skipped atom 1139, because occupancy 0.41 <= existing 0.590001 Skipped atom 1141, because occupancy 0.41 <= existing 0.590001 Skipped atom 1143, because occupancy 0.41 <= existing 0.590001 Skipped atom 1152, because occupancy 0.18 <= existing 0.820001 Skipped atom 1154, because occupancy 0.18 <= existing 0.820001 Skipped atom 1173, because occupancy 0.46 <= existing 0.540001 Skipped atom 1175, because occupancy 0.46 <= existing 0.540001 Skipped atom 1177, because occupancy 0.46 <= existing 0.540001 Skipped atom 1179, because occupancy 0.46 <= existing 0.540001 Skipped atom 1181, because occupancy 0.46 <= existing 0.540001 # found chain 1bzpA in template set T0187 106 :ELVDQLNEN 1bzpA 113 :HVLHSRHPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1819 # 1g38A.106.109 read from T0187.t2k.frag # found chain 1g38A in template set T0187 106 :ELVDQLNEN 1g38A 130 :KKAFSTWKG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85521 Ang D5.CA and N8.ND2 other bump:2.30957 Ang D5.CB and N8.ND2 neighbor-bump: 3.22243 Ang V4.CG1 and D5.OD1 Number of specific fragments= 1 total=1820 # 1cg5A.107.109 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 107 :LVDQLNEND 1cg5A 110 :LAVNLQAFT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97008 Ang V3.CG2 and N9.OD1 neighbor-bump: 2.17109 Ang N7.OD1 and E8.N self-bump: 1.38711 Ang N7.CA and N7.CB Number of specific fragments= 1 total=1821 # 1qhsA.107.107 read from T0187.t2k.frag # found chain 1qhsA in template set T0187 107 :LVDQLNEND 1qhsA 108 :FVGDLDVLW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07429 Ang E8.OE1 and D10.OD1 self-bump: 2.21782 Ang D4.CB and D4.C self-bump: 1.28362 Ang D4.CA and D4.CB Number of specific fragments= 1 total=1822 # 1qhxA.107.107 read from T0187.t2k.frag # found chain 1qhxA in template set T0187 107 :LVDQLNEND 1qhxA 108 :FVGDLDVLW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.97165 Ang E8.OE1 and D10.OD1 self-bump: 1.29245 Ang D4.CA and D4.CB Number of specific fragments= 1 total=1823 # 1a6m.107.113 read from T0187.t2k.frag # found chain 1a6m in training set T0187 107 :LVDQLNEND 1a6m 114 :VLHSRHPGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.10609 Ang Q5.O and E8.OE2 other bump:2.68257 Ang Q5.C and E8.OE2 Number of specific fragments= 1 total=1824 # 1gjnA.107.113 read from T0187.t2k.frag # found chain 1gjnA in template set T0187 107 :LVDQLNEND 1gjnA 114 :VLHSKHPGD Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.16202 Ang Q5.N and E8.OE2 other bump:1.58157 Ang D4.O and E8.OE2 other bump:1.25015 Ang D4.C and E8.OE2 other bump:1.72986 Ang D4.CA and E8.OE2 other bump:1.84588 Ang D4.CB and E8.OE2 other bump:1.35777 Ang D4.O and E8.OE1 other bump:2.35386 Ang D4.C and E8.OE1 other bump:2.88615 Ang Q5.N and E8.CD other bump:1.17423 Ang D4.O and E8.CD other bump:1.87283 Ang D4.C and E8.CD other bump:2.63557 Ang D4.CA and E8.CD other bump:2.8998 Ang D4.CB and E8.CD other bump:2.36707 Ang D4.O and E8.CG other bump:3.10421 Ang D4.C and E8.CG self-bump: 1.31408 Ang E8.CA and E8.CB Number of specific fragments= 1 total=1825 # 1dwtA.107.113 read from T0187.t2k.frag # adding 1dwtA to template set 1dwtA:# found chain 1dwtA in template set T0187 107 :LVDQLNEND 1dwtA 114 :VLHSKHPGD Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.85829 Ang D4.CB and E8.OE2 other bump:1.72735 Ang D4.CA and E8.OE2 other bump:1.58293 Ang D4.O and E8.OE2 other bump:1.21474 Ang D4.C and E8.OE2 other bump:2.1227 Ang Q5.N and E8.OE2 other bump:1.2374 Ang D4.O and E8.OE1 other bump:2.24859 Ang D4.C and E8.OE1 other bump:2.92002 Ang D4.CB and E8.CD other bump:2.60164 Ang D4.CA and E8.CD other bump:1.06548 Ang D4.O and E8.CD other bump:1.78134 Ang D4.C and E8.CD other bump:2.80705 Ang Q5.N and E8.CD other bump:2.2655 Ang D4.O and E8.CG other bump:3.0296 Ang D4.C and E8.CG self-bump: 1.31455 Ang E8.CA and E8.CB Number of specific fragments= 1 total=1826 # 1qq9A.108.113 read from T0187.t2k.frag # adding 1qq9A to template set 1qq9A:# found chain 1qq9A in template set T0187 108 :VDQLNENDT 1qq9A 114 :RAGYQPDKH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1827 # 1xjo.108.113 read from T0187.t2k.frag # adding 1xjo to template set 1xjo:# found chain 1xjo in template set T0187 108 :VDQLNENDT 1xjo 114 :RAGYQPDKH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1828 # 1cc1S.108.109 read from T0187.t2k.frag # adding 1cc1S to template set 1cc1S:# found chain 1cc1S in template set T0187 108 :VDQLNENDT 1cc1S 110 :IRDLAPKSL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39411 Ang T10.CA and T10.CB other bump:1.9167 Ang D3.O and E7.OE1 other bump:2.13307 Ang V2.CG2 and N6.ND2 Number of specific fragments= 1 total=1829 # 1cg5A.108.110 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 108 :VDQLNENDT 1cg5A 111 :AVNLQAFTP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.17109 Ang N6.OD1 and E7.N self-bump: 1.38711 Ang N6.CA and N6.CB Number of specific fragments= 1 total=1830 # 1qhsA.108.108 read from T0187.t2k.frag # found chain 1qhsA in template set T0187 108 :VDQLNENDT 1qhsA 109 :VGDLDVLWV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13987 Ang E7.OE1 and D9.OD1 self-bump: 2.21782 Ang D3.CB and D3.C self-bump: 1.28362 Ang D3.CA and D3.CB Number of specific fragments= 1 total=1831 # 1qhxA.108.108 read from T0187.t2k.frag # found chain 1qhxA in template set T0187 108 :VDQLNENDT 1qhxA 109 :VGDLDVLWV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.05886 Ang E7.OE1 and D9.OD1 self-bump: 1.29245 Ang D3.CA and D3.CB Number of specific fragments= 1 total=1832 # 1xjo.109.114 read from T0187.t2k.frag # found chain 1xjo in template set T0187 109 :DQLNENDTV 1xjo 115 :AGYQPDKHL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93772 Ang E6.CD and V10.CG2 other bump:2.55485 Ang E6.OE2 and V10.CG2 Number of specific fragments= 1 total=1833 # 1qq9A.109.114 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 109 :DQLNENDTV 1qq9A 115 :AGYQPDKHL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61032 Ang E6.CD and V10.CG2 other bump:2.79699 Ang E6.OE1 and V10.CG2 other bump:2.14899 Ang E6.OE2 and V10.CG2 Number of specific fragments= 1 total=1834 # 1vhrA.109.110 read from T0187.t2k.frag # adding 1vhrA to template set 1vhrA:# found chain 1vhrA in template set T0187 109 :DQLNENDTV 1vhrA 112 :ALAQKNGRV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.72646 Ang D2.O and D8.OD2 other bump:2.24577 Ang D2.C and D8.OD2 other bump:2.3851 Ang D2.CA and D8.OD2 other bump:1.91435 Ang D2.O and D8.CG other bump:2.8364 Ang D2.C and D8.CG other bump:3.19047 Ang D2.CA and D8.CG other bump:1.6443 Ang D2.O and D8.CB other bump:2.68486 Ang D2.C and D8.CB Number of specific fragments= 1 total=1835 # 1cc1S.109.110 read from T0187.t2k.frag # found chain 1cc1S in template set T0187 109 :DQLNENDTV 1cc1S 111 :RDLAPKSLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9167 Ang D2.O and E6.OE1 Number of specific fragments= 1 total=1836 # 1jw9B.109.116 read from T0187.t2k.frag # adding 1jw9B to template set 1jw9B:# found chain 1jw9B in template set T0187 109 :DQLNENDTV 1jw9B 117 :ALIAEHDLV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80396 Ang L4.CD2 and V10.CG2 other bump:2.07154 Ang L4.O and N7.OD1 Number of specific fragments= 1 total=1837 # 1hurA.109.110 read from T0187.t2k.frag # found chain 1hurA in template set T0187 109 :DQLNENDTV 1hurA 112 :AEDELRDAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52059 Ang Q3.CB and E6.OE1 Number of specific fragments= 1 total=1838 # 1xjo.110.115 read from T0187.t2k.frag # found chain 1xjo in template set T0187 110 :QLNENDTVL 1xjo 116 :GYQPDKHLR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99315 Ang E5.CD and V9.CG2 other bump:2.64403 Ang E5.OE2 and V9.CG2 Number of specific fragments= 1 total=1839 # 1qq9A.110.115 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 110 :QLNENDTVL 1qq9A 116 :GYQPDKHLR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65853 Ang E5.CD and V9.CG2 other bump:2.80169 Ang E5.OE1 and V9.CG2 other bump:2.23779 Ang E5.OE2 and V9.CG2 Number of specific fragments= 1 total=1840 # 1vhrA.110.111 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 110 :QLNENDTVL 1vhrA 113 :LAQKNGRVL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.72646 Ang G1.O and D7.OD2 other bump:2.24577 Ang G1.C and D7.OD2 other bump:1.91435 Ang G1.O and D7.CG other bump:2.8364 Ang G1.C and D7.CG other bump:1.6443 Ang G1.O and D7.CB other bump:2.68486 Ang G1.C and D7.CB Number of specific fragments= 1 total=1841 # 1hurA.110.111 read from T0187.t2k.frag # found chain 1hurA in template set T0187 110 :QLNENDTVL 1hurA 113 :EDELRDAVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52059 Ang Q2.CB and E5.OE1 Number of specific fragments= 1 total=1842 # 1jw9B.110.117 read from T0187.t2k.frag # found chain 1jw9B in template set T0187 110 :QLNENDTVL 1jw9B 118 :LIAEHDLVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80396 Ang L3.CD2 and V9.CG2 other bump:2.07154 Ang L3.O and N6.OD1 Number of specific fragments= 1 total=1843 # 1cc1S.110.111 read from T0187.t2k.frag # found chain 1cc1S in template set T0187 110 :QLNENDTVL 1cc1S 112 :DLAPKSLAT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.11959 Ang N4.OD1 and L10.CD2 other bump:2.92946 Ang N4.CG and L10.CD2 other bump:2.95859 Ang N4.CB and L10.CD1 other bump:1.9167 Ang G1.O and E5.OE1 Number of specific fragments= 1 total=1844 # 1vhrA.111.112 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 111 :LNENDTVLF 1vhrA 114 :AQKNGRVLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.67074 Ang V8.CG1 and F10.CE1 Number of specific fragments= 1 total=1845 # 1xjo.111.116 read from T0187.t2k.frag # found chain 1xjo in template set T0187 111 :LNENDTVLF 1xjo 117 :YQPDKHLRF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17684 Ang V8.CG1 and F10.CZ other bump:3.0306 Ang V8.CG1 and F10.CE2 other bump:2.99315 Ang E4.CD and V8.CG2 other bump:2.64403 Ang E4.OE2 and V8.CG2 Number of specific fragments= 1 total=1846 # 1qq9A.111.116 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 111 :LNENDTVLF 1qq9A 117 :YQPDKHLRF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15038 Ang V8.CG1 and F10.CZ other bump:2.89837 Ang V8.CG1 and F10.CE2 other bump:2.65853 Ang E4.CD and V8.CG2 other bump:2.80169 Ang E4.OE1 and V8.CG2 other bump:2.23779 Ang E4.OE2 and V8.CG2 Number of specific fragments= 1 total=1847 # 1hurA.111.112 read from T0187.t2k.frag # found chain 1hurA in template set T0187 111 :LNENDTVLF 1hurA 114 :DELRDAVLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1848 # 1jw9B.111.118 read from T0187.t2k.frag # found chain 1jw9B in template set T0187 111 :LNENDTVLF 1jw9B 119 :IAEHDLVLD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79125 Ang L2.CD2 and V8.CG2 other bump:2.07154 Ang L2.O and N5.OD1 Number of specific fragments= 1 total=1849 # 1cc1S.111.112 read from T0187.t2k.frag # found chain 1cc1S in template set T0187 111 :LNENDTVLF 1cc1S 113 :LAPKSLATV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98242 Ang V8.CG1 and F10.CE1 other bump:2.11959 Ang N3.OD1 and L9.CD2 other bump:2.92946 Ang N3.CG and L9.CD2 other bump:2.95859 Ang N3.CB and L9.CD1 Number of specific fragments= 1 total=1850 # 1vhrA.112.113 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 112 :NENDTVLFL 1vhrA 115 :QKNGRVLVH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1851 # 1hurA.112.113 read from T0187.t2k.frag # found chain 1hurA in template set T0187 112 :NENDTVLFL 1hurA 115 :ELRDAVLLV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88499 Ang L8.CD2 and L10.CD1 Number of specific fragments= 1 total=1852 # 1xjo.112.117 read from T0187.t2k.frag # found chain 1xjo in template set T0187 112 :NENDTVLFL 1xjo 118 :QPDKHLRFA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17684 Ang V7.CG1 and F9.CZ other bump:3.0306 Ang V7.CG1 and F9.CE2 other bump:2.99315 Ang E3.CD and V7.CG2 other bump:2.64402 Ang E3.OE2 and V7.CG2 Number of specific fragments= 1 total=1853 # 1qq9A.112.117 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 112 :NENDTVLFL 1qq9A 118 :QPDKHLRFA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15038 Ang V7.CG1 and F9.CZ other bump:2.89837 Ang V7.CG1 and F9.CE2 other bump:2.65853 Ang E3.CD and V7.CG2 other bump:2.80169 Ang E3.OE1 and V7.CG2 other bump:2.23779 Ang E3.OE2 and V7.CG2 Number of specific fragments= 1 total=1854 # 1kamA.112.100 read from T0187.t2k.frag # adding 1kamA to template set 1kamA:# found chain 1kamA in template set T0187 112 :NENDTVLFL 1kamA 96 :YPNDQLFFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1855 # 1jbkA.112.112 read from T0187.t2k.frag # adding 1jbkA to template set 1jbkA:# found chain 1jbkA in template set T0187 112 :NENDTVLFL 1jbkA 269 :QEGNVILFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1856 # 1vhrA.113.114 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 113 :ENDTVLFLL 1vhrA 116 :KNGRVLVHC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46189 Ang L7.CD1 and L9.CD2 Number of specific fragments= 1 total=1857 # 1hurA.113.114 read from T0187.t2k.frag # found chain 1hurA in template set T0187 113 :ENDTVLFLL 1hurA 116 :LRDAVLLVF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24417 Ang F8.CE2 and L10.CD1 other bump:2.53913 Ang F8.CZ and L10.CD1 Number of specific fragments= 1 total=1858 # 1xjo.113.118 read from T0187.t2k.frag # found chain 1xjo in template set T0187 113 :ENDTVLFLL 1xjo 119 :PDKHLRFAW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17684 Ang V6.CG1 and F8.CZ other bump:3.0306 Ang V6.CG1 and F8.CE2 Number of specific fragments= 1 total=1859 # 1qq9A.113.118 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 113 :ENDTVLFLL 1qq9A 119 :PDKHLRFAW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15038 Ang V6.CG1 and F8.CZ other bump:2.89837 Ang V6.CG1 and F8.CE2 Number of specific fragments= 1 total=1860 # 1cc1S.113.114 read from T0187.t2k.frag # found chain 1cc1S in template set T0187 113 :ENDTVLFLL 1cc1S 115 :PKSLATVAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98241 Ang V6.CG1 and F8.CE1 Number of specific fragments= 1 total=1861 # 1hurA.113.115 read from T0187.t2k.frag # found chain 1hurA in template set T0187 113 :ENDTVLFLL 1hurA 117 :RDAVLLVFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34114 Ang F8.CD1 and L10.CD1 other bump:2.47278 Ang F8.CE1 and L10.CD1 Number of specific fragments= 1 total=1862 # 1vhrA.114.115 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 114 :NDTVLFLLS 1vhrA 117 :NGRVLVHCR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46189 Ang L6.CD1 and L8.CD2 Number of specific fragments= 1 total=1863 # 1hurA.114.115 read from T0187.t2k.frag # found chain 1hurA in template set T0187 114 :NDTVLFLLS 1hurA 117 :RDAVLLVFA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24417 Ang F7.CE2 and L9.CD1 other bump:2.53913 Ang F7.CZ and L9.CD1 Number of specific fragments= 1 total=1864 # 1qq9A.114.119 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 114 :NDTVLFLLS 1qq9A 120 :DKHLRFAWW Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15038 Ang V5.CG1 and F7.CZ other bump:2.89837 Ang V5.CG1 and F7.CE2 Number of specific fragments= 1 total=1865 # 1xjo.114.119 read from T0187.t2k.frag # found chain 1xjo in template set T0187 114 :NDTVLFLLS 1xjo 120 :DKHLRFAWW Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17684 Ang V5.CG1 and F7.CZ other bump:3.0306 Ang V5.CG1 and F7.CE2 self-bump: 1.35764 Ang N2.CA and N2.CB Number of specific fragments= 1 total=1866 # 1gmxA.114.57 read from T0187.t2k.frag # found chain 1gmxA in training set T0187 114 :NDTVLF 1gmxA 58 :DTPVMV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.22169 Ang V5.CG1 and F7.CZ Number of specific fragments= 1 total=1867 # 1hurA.114.116 read from T0187.t2k.frag # found chain 1hurA in template set T0187 114 :NDTVLFLLS 1hurA 118 :DAVLLVFAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1868 # 1vhrA.115.116 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 115 :DTVLFLLSG 1vhrA 118 :GRVLVHCRE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46189 Ang L5.CD1 and L7.CD2 Number of specific fragments= 1 total=1869 # 1hurA.115.116 read from T0187.t2k.frag # found chain 1hurA in template set T0187 115 :DTVLFLLSG 1hurA 118 :DAVLLVFAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53913 Ang F6.CZ and L8.CD1 other bump:2.24417 Ang F6.CE2 and L8.CD1 Number of specific fragments= 1 total=1870 # 1qq9A.115.120 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 115 :DTVLFLLSG 1qq9A 121 :KHLRFAWWG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15038 Ang V4.CG1 and F6.CZ other bump:2.89837 Ang V4.CG1 and F6.CE2 Number of specific fragments= 1 total=1871 # 1xjo.115.120 read from T0187.t2k.frag # found chain 1xjo in template set T0187 115 :DTVLFLLSG 1xjo 121 :KHLRFAWWG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17684 Ang V4.CG1 and F6.CZ other bump:3.0306 Ang V4.CG1 and F6.CE2 Number of specific fragments= 1 total=1872 # 1gmxA.115.58 read from T0187.t2k.frag # found chain 1gmxA in training set T0187 115 :DTVLF 1gmxA 59 :TPVMV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.22169 Ang V4.CG1 and F6.CZ T0187 123 :G 1gmxA 67 :H Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 2 total=1874 Number of alignments=251 # 1pauA.115.84 read from T0187.t2k.frag # adding 1pauA to template set 1pauA:# found chain 1pauA in template set T0187 115 :DTVLFLLSG 1pauA 229 :SFVCVLLSH Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93446 Ang F6.CE2 and L8.CD2 other bump:1.71412 Ang F6.CZ and L8.CD2 other bump:2.34158 Ang F6.CE2 and L8.CD1 other bump:1.92518 Ang F6.CE2 and L8.CG Number of specific fragments= 1 total=1875 # 1vhrA.116.117 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 116 :TVLFLLSGG 1vhrA 119 :RVLVHCREG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46189 Ang L4.CD1 and L6.CD2 Number of specific fragments= 1 total=1876 # 1hurA.116.117 read from T0187.t2k.frag # found chain 1hurA in template set T0187 116 :TVLFLLSGG 1hurA 119 :AVLLVFANK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24417 Ang F5.CE2 and L7.CD1 other bump:2.53913 Ang F5.CZ and L7.CD1 Number of specific fragments= 1 total=1877 # 1xjo.116.121 read from T0187.t2k.frag # found chain 1xjo in template set T0187 116 :TVLFLLSGG 1xjo 122 :HLRFAWWGA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17684 Ang V3.CG1 and F5.CZ other bump:3.0306 Ang V3.CG1 and F5.CE2 Number of specific fragments= 1 total=1878 # 1qq9A.116.121 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 116 :TVLFLLSGG 1qq9A 122 :HLRFAWWGA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15038 Ang V3.CG1 and F5.CZ other bump:2.89837 Ang V3.CG1 and F5.CE2 Number of specific fragments= 1 total=1879 # 1pauA.116.85 read from T0187.t2k.frag # found chain 1pauA in template set T0187 116 :TVLFLLSGG 1pauA 230 :FVCVLLSHG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93446 Ang F5.CE2 and L7.CD2 other bump:1.71412 Ang F5.CZ and L7.CD2 other bump:2.34158 Ang F5.CE2 and L7.CD1 other bump:1.92518 Ang F5.CE2 and L7.CG Number of specific fragments= 1 total=1880 # 1hurA.116.118 read from T0187.t2k.frag # found chain 1hurA in template set T0187 116 :TVLFLLSGG 1hurA 120 :VLLVFANKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1881 # 1vhrA.117.118 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 117 :VLFLLSGGG 1vhrA 120 :VLVHCREGY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46189 Ang L3.CD1 and L5.CD2 Number of specific fragments= 1 total=1882 # 1hurA.117.118 read from T0187.t2k.frag # found chain 1hurA in template set T0187 117 :VLFLLSGGG 1hurA 120 :VLLVFANKQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.24417 Ang F4.CE2 and L6.CD1 other bump:2.53913 Ang F4.CZ and L6.CD1 Number of specific fragments= 1 total=1883 # 1qq9A.117.122 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 117 :VLFLLSGGG 1qq9A 123 :LRFAWWGAE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.15038 Ang V2.CG1 and F4.CZ other bump:2.89837 Ang V2.CG1 and F4.CE2 Number of specific fragments= 1 total=1884 # 1xjo.117.122 read from T0187.t2k.frag # found chain 1xjo in template set T0187 117 :VLFLLSGGG 1xjo 123 :LRFAWWGAE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17685 Ang V2.CG1 and F4.CZ other bump:3.0306 Ang V2.CG1 and F4.CE2 Number of specific fragments= 1 total=1885 # 1pauA.117.86 read from T0187.t2k.frag # found chain 1pauA in template set T0187 117 :VLFLLSGGG 1pauA 231 :VCVLLSHGE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93446 Ang F4.CE2 and L6.CD2 other bump:1.71412 Ang F4.CZ and L6.CD2 other bump:2.34158 Ang F4.CE2 and L6.CD1 other bump:1.92518 Ang F4.CE2 and L6.CG Number of specific fragments= 1 total=1886 # 1dyr.117.118 read from T0187.t2k.frag # found chain 1dyr in training set T0187 117 :VLFLLSGGG 1dyr 119 :RIFVIGGAQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.49018 Ang S7.OG and G8.CA neighbor-bump: 2.08628 Ang L6.O and S7.CB neighbor-bump: 2.58299 Ang L6.C and S7.CB other bump:2.91157 Ang V2.CG1 and F4.CE2 Number of specific fragments= 1 total=1887 # 1vhrA.118.119 read from T0187.t2k.frag # found chain 1vhrA in template set T0187 118 :LFLLSGGGS 1vhrA 121 :LVHCREGYS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.99711 Ang L5.CD2 and G11.CA other bump:2.81964 Ang L5.CD1 and G11.N other bump:2.46189 Ang L2.CD1 and L4.CD2 Number of specific fragments= 1 total=1888 # 1pauA.118.87 read from T0187.t2k.frag # found chain 1pauA in template set T0187 118 :LFLLSGGGS 1pauA 232 :CVLLSHGEE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.93445 Ang F3.CE2 and L5.CD2 other bump:1.71411 Ang F3.CZ and L5.CD2 other bump:2.34158 Ang F3.CE2 and L5.CD1 other bump:1.92517 Ang F3.CE2 and L5.CG Number of specific fragments= 1 total=1889 # 1dyr.118.118 read from T0187.t2k.frag # found chain 1dyr in training set T0187 118 :LFLLSGGGS 1dyr 119 :RIFVIGGAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1890 # 1qq9A.118.123 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 118 :LFLLSGGGS 1qq9A 124 :RFAWWGAEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1891 # 1dyr.118.119 read from T0187.t2k.frag # found chain 1dyr in training set T0187 118 :LFLLSGGGS 1dyr 120 :IFVIGGAQL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.49018 Ang S6.OG and G7.CA neighbor-bump: 2.08628 Ang L5.O and S6.CB neighbor-bump: 2.58299 Ang L5.C and S6.CB Number of specific fragments= 1 total=1892 # 1xjo.118.123 read from T0187.t2k.frag # found chain 1xjo in template set T0187 118 :LFLLSGGGS 1xjo 124 :RFAWWGAEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1893 # 1pauA.119.88 read from T0187.t2k.frag # found chain 1pauA in template set T0187 119 :FLLSGGGSS 1pauA 233 :VLLSHGEEG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38341 Ang S9.CA and S9.CB other bump:1.96156 Ang F2.CE1 and L4.CD2 other bump:1.92455 Ang F2.CZ and L4.CD2 other bump:2.2766 Ang F2.CE1 and L4.CD1 other bump:2.86475 Ang F2.CZ and L4.CD1 other bump:1.82252 Ang F2.CE1 and L4.CG Number of specific fragments= 1 total=1894 # 1am7A.119.124 read from T0187.t2k.frag # found chain 1am7A in template set T0187 120 :LLSGGGSS 1am7A 126 :SLPGAGYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1895 # 1dyr.119.119 read from T0187.t2k.frag # found chain 1dyr in training set T0187 119 :FLLSGGGSS 1dyr 120 :IFVIGGAQL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1896 # 1dqzA.119.119 read from T0187.t2k.frag # adding 1dqzA to template set 1dqzA:# found chain 1dqzA in template set T0187 119 :FLLSGGGSS 1dqzA 122 :GLSMSGGSA Fragment has 49 clashes (null) has 49 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61383 Ang F2.CB and S10.OG other bump:2.69142 Ang F2.CD2 and G7.C other bump:3.27897 Ang F2.CE2 and G7.C other bump:2.5429 Ang F2.CG and G7.CA other bump:1.55827 Ang F2.CD2 and G7.CA other bump:2.45126 Ang F2.CE2 and G7.CA other bump:3.00615 Ang F2.CB and G7.CA other bump:2.61688 Ang F2.CD1 and G7.N other bump:2.80083 Ang F2.CE1 and G7.N other bump:1.75961 Ang F2.CG and G7.N other bump:0.483669 Ang F2.CD2 and G7.N other bump:1.10823 Ang F2.CE2 and G7.N other bump:2.25085 Ang F2.CZ and G7.N other bump:2.91893 Ang F2.CB and G7.N other bump:1.4706 Ang F2.CD1 and G6.C other bump:1.95403 Ang F2.CE1 and G6.C other bump:1.06243 Ang F2.CG and G6.C other bump:1.28399 Ang F2.CD2 and G6.C other bump:1.81597 Ang F2.CE2 and G6.C other bump:2.10116 Ang F2.CZ and G6.C other bump:2.41256 Ang F2.CB and G6.C other bump:1.86357 Ang F2.CD1 and G6.O other bump:1.33526 Ang F2.CG and G6.O other bump:2.13667 Ang F2.CD2 and G6.O other bump:1.82841 Ang F2.CB and G6.O other bump:1.21613 Ang F2.CD1 and G6.CA other bump:0.469036 Ang F2.CE1 and G6.CA other bump:2.10518 Ang F2.CG and G6.CA other bump:2.44012 Ang F2.CD2 and G6.CA other bump:2.16986 Ang F2.CE2 and G6.CA other bump:1.36731 Ang F2.CZ and G6.CA other bump:2.46738 Ang F2.CD1 and G6.N other bump:1.24233 Ang F2.CE1 and G6.N other bump:3.11049 Ang F2.CG and G6.N other bump:2.91172 Ang F2.CD2 and G6.N other bump:1.99208 Ang F2.CE2 and G6.N other bump:0.725348 Ang F2.CZ and G6.N other bump:2.29644 Ang F2.CE1 and S5.C other bump:2.31714 Ang F2.CE2 and S5.C other bump:1.2807 Ang F2.CZ and S5.C other bump:2.64209 Ang F2.CE2 and S5.O other bump:1.91597 Ang F2.CZ and S5.O other bump:2.60467 Ang F2.CZ and S5.CA other bump:3.04883 Ang F2.CZ and S5.N other bump:2.83724 Ang F2.CE2 and L4.C other bump:3.05757 Ang F2.CZ and L4.C other bump:2.07462 Ang F2.CE2 and L4.O other bump:2.69607 Ang F2.CZ and L4.O self-bump: 1.27313 Ang L4.CA and L4.CB Number of specific fragments= 1 total=1897 # 1xjo.119.124 read from T0187.t2k.frag # found chain 1xjo in template set T0187 119 :FLLSGGGSS 1xjo 125 :FAWWGAEEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1898 # 1qq9A.119.124 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 119 :FLLSGGGSS 1qq9A 125 :FAWWGAEEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1899 # 1am7A.120.125 read from T0187.t2k.frag # found chain 1am7A in template set T0187 120 :LLSGGGSSL 1am7A 126 :SLPGAGYGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1900 # 1dqzA.120.120 read from T0187.t2k.frag # found chain 1dqzA in template set T0187 120 :LLSGGGSSL 1dqzA 123 :LSMSGGSAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27313 Ang L3.CA and L3.CB Number of specific fragments= 1 total=1901 # 1dqyA.120.123 read from T0187.t2k.frag # adding 1dqyA to template set 1dqyA:# found chain 1dqyA in template set T0187 120 :LLSGGGSSL 1dqyA 123 :LSMSGGSAL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29688 Ang L3.CA and L3.CB Number of specific fragments= 1 total=1902 # 1dbuA.120.126 read from T0187.t2k.frag # adding 1dbuA to template set 1dbuA:Skipped atom 434, because occupancy 0.5 <= existing 0.500001 Skipped atom 436, 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 Skipped atom 493, 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 Skipped atom 495, 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 Skipped atom 497, 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 Skipped atom 499, 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 638, because occupancy 0.5 <= existing 0.500001 Skipped atom 640, because occupancy 0.5 <= existing 0.500001 Skipped atom 642, because occupancy 0.5 <= existing 0.500001 Skipped atom 644, because occupancy 0.5 <= existing 0.500001 Skipped atom 659, because occupancy 0.5 <= existing 0.500001 Skipped atom 661, because occupancy 0.5 <= existing 0.500001 Skipped atom 663, because occupancy 0.5 <= existing 0.500001 Skipped atom 665, because occupancy 0.5 <= existing 0.500001 Skipped atom 681, because occupancy 0.5 <= existing 0.500001 Skipped atom 683, because occupancy 0.5 <= existing 0.500001 Skipped atom 685, because occupancy 0.5 <= existing 0.500001 Skipped atom 687, because occupancy 0.5 <= existing 0.500001 Skipped atom 689, because occupancy 0.5 <= existing 0.500001 Skipped atom 987, because occupancy 0.5 <= existing 0.500001 Skipped atom 989, because occupancy 0.5 <= existing 0.500001 Skipped atom 991, because occupancy 0.5 <= existing 0.500001 Skipped atom 993, because occupancy 0.5 <= existing 0.500001 Skipped atom 995, because occupancy 0.5 <= existing 0.500001 Skipped atom 1013, because occupancy 0.5 <= existing 0.500001 Skipped atom 1015, because occupancy 0.5 <= existing 0.500001 Skipped atom 1120, because occupancy 0.5 <= existing 0.500001 Skipped atom 1122, because occupancy 0.5 <= existing 0.500001 Skipped atom 1124, because occupancy 0.5 <= existing 0.500001 Skipped atom 1126, because occupancy 0.5 <= existing 0.500001 Skipped atom 1128, because occupancy 0.5 <= existing 0.500001 # found chain 1dbuA in template set T0187 120 :LLSGGGSSL 1dbuA 127 :YVSGGKRGL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.01127 Ang S8.O and S9.CB neighbor-bump: 2.46642 Ang S8.C and S9.CB self-bump: 1.27764 Ang S8.CA and S8.CB Number of specific fragments= 1 total=1903 # 1xjo.120.125 read from T0187.t2k.frag # found chain 1xjo in template set T0187 120 :LLSGGGSSL 1xjo 126 :AWWGAEELG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.2169 Ang S9.O and L10.CG neighbor-bump: 2.82318 Ang S9.C and L10.CG neighbor-bump: 2.22547 Ang S9.O and L10.CB neighbor-bump: 2.64192 Ang S9.C and L10.CB Number of specific fragments= 1 total=1904 # 1qq9A.120.125 read from T0187.t2k.frag # found chain 1qq9A in template set T0187 120 :LLSGGGSSL 1qq9A 126 :AWWGAEELG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.0633 Ang S9.O and L10.CG neighbor-bump: 2.79083 Ang S9.C and L10.CG neighbor-bump: 2.11163 Ang S9.O and L10.CB neighbor-bump: 2.59195 Ang S9.C and L10.CB Number of specific fragments= 1 total=1905 # 1am7A.121.126 read from T0187.t2k.frag # found chain 1am7A in template set T0187 121 :LSGGGSSLF 1am7A 127 :LPGAGYGQF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1906 # 1dqzA.121.121 read from T0187.t2k.frag # found chain 1dqzA in template set T0187 121 :LSGGGSSLF 1dqzA 124 :SMSGGSALI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.27313 Ang L2.CA and L2.CB Number of specific fragments= 1 total=1907 # 1dqyA.121.124 read from T0187.t2k.frag # found chain 1dqyA in template set T0187 121 :LSGGGSSLF 1dqyA 124 :SMSGGSALI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.29689 Ang L2.CA and L2.CB Number of specific fragments= 1 total=1908 # 2fal.121.122 read from T0187.t2k.frag # adding 2fal to template set 2fal:Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X # found chain 2fal in template set T0187 121 :LSGGGSSLF 2fal 122 :PPAGADAAW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1909 # 1e3uA.121.125 read from T0187.t2k.frag # adding 1e3uA to template set 1e3uA:Skipped atom 195, because occupancy 0.5 <= existing 0.500001 Skipped atom 196, because occupancy 0.5 <= existing 0.500001 Skipped atom 605, because occupancy 0.5 <= existing 0.500001 Skipped atom 606, because occupancy 0.5 <= existing 0.500001 Skipped atom 607, because occupancy 0.5 <= existing 0.500001 Skipped atom 608, because occupancy 0.5 <= existing 0.500001 Skipped atom 703, because occupancy 0.5 <= existing 0.500001 Skipped atom 704, because occupancy 0.5 <= existing 0.500001 Skipped atom 705, because occupancy 0.5 <= existing 0.500001 Skipped atom 706, because occupancy 0.5 <= existing 0.500001 Skipped atom 707, because occupancy 0.5 <= existing 0.500001 Skipped atom 708, because occupancy 0.5 <= existing 0.500001 Skipped atom 709, because occupancy 0.5 <= existing 0.500001 Skipped atom 736, because occupancy 0.5 <= existing 0.500001 Skipped atom 737, because occupancy 0.5 <= existing 0.500001 Skipped atom 738, because occupancy 0.5 <= existing 0.500001 Skipped atom 739, because occupancy 0.5 <= existing 0.500001 Skipped atom 740, because occupancy 0.5 <= existing 0.500001 Skipped atom 1016, because occupancy 0.5 <= existing 0.500001 Skipped atom 1017, because occupancy 0.5 <= existing 0.500001 # found chain 1e3uA in template set T0187 121 :LSGGGSSLF 1e3uA 146 :ISGGIDKFW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.899 Ang L2.CD2 and L9.CD1 Number of specific fragments= 1 total=1910 # 1dbuA.121.127 read from T0187.t2k.frag # found chain 1dbuA in template set T0187 121 :LSGGGSSLF 1dbuA 128 :VSGGKRGLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.01127 Ang S7.O and S8.CB neighbor-bump: 2.46642 Ang S7.C and S8.CB self-bump: 1.27764 Ang S7.CA and S7.CB Number of specific fragments= 1 total=1911 # 1am7A.122.127 read from T0187.t2k.frag # found chain 1am7A in template set T0187 122 :SGGGSSLFE 1am7A 128 :PGAGYGQFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1912 # 1dqzA.122.122 read from T0187.t2k.frag # found chain 1dqzA in template set T0187 122 :SGGGSSLFE 1dqzA 125 :MSGGSALIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1913 # 1dqyA.122.125 read from T0187.t2k.frag # found chain 1dqyA in template set T0187 122 :SGGGSSLFE 1dqyA 125 :MSGGSALIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1914 # 2fal.122.123 read from T0187.t2k.frag # found chain 2fal in template set T0187 122 :SGGGSSLFE 2fal 123 :PAGADAAWT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1915 # 1mba.122.123 read from T0187.t2k.frag # found chain 1mba in training set T0187 122 :SGGGSSLFE 1mba 123 :PAGADAAWT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1916 # 1jhfA.122.124 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 122 :SGGGSSLFE 1jhfA 125 :IMDGDLLAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1917 # 1am7A.123.128 read from T0187.t2k.frag # found chain 1am7A in template set T0187 123 :GGGSSLFEL 1am7A 129 :GAGYGQFEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1918 # 1dqzA.123.123 read from T0187.t2k.frag # found chain 1dqzA in template set T0187 123 :GGGSSLFEL 1dqzA 126 :SGGSALILA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1919 # 1dqyA.123.126 read from T0187.t2k.frag # found chain 1dqyA in template set T0187 123 :GGGSSLFEL 1dqyA 126 :SGGSALILA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1920 # 2fal.123.124 read from T0187.t2k.frag # found chain 2fal in template set T0187 123 :GGGSSLFEL 2fal 124 :AGADAAWTK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1921 # 1jhfA.123.125 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 123 :GGGSSLFEL 1jhfA 126 :MDGDLLAVH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1922 # 1mba.123.124 read from T0187.t2k.frag # found chain 1mba in training set T0187 123 :GGGSSLFEL 1mba 124 :AGADAAWTK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1923 # 1am7A.124.129 read from T0187.t2k.frag # found chain 1am7A in template set T0187 124 :GGSSLFELP 1am7A 130 :AGYGQFEHK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1924 # 1jhfA.124.126 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 124 :GGSSLFELP 1jhfA 127 :DGDLLAVHK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1925 # 1dqzA.124.124 read from T0187.t2k.frag # found chain 1dqzA in template set T0187 124 :GGSSLFELP 1dqzA 127 :GGSALILAA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7372 Ang F7.C and P10.CD other bump:3.05191 Ang F7.CA and P10.CD neighbor-bump: 2.67086 Ang L9.N and P10.CD other bump:1.40405 Ang L6.O and P10.CD other bump:2.49418 Ang L6.C and P10.CD other bump:3.1631 Ang F7.CA and P10.CG other bump:1.75494 Ang L6.O and P10.CG other bump:2.80646 Ang L6.C and P10.CG Number of specific fragments= 1 total=1926 # 1dqyA.124.127 read from T0187.t2k.frag # found chain 1dqyA in template set T0187 124 :GGSSLFELP 1dqyA 127 :GGSALILAA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.05221 Ang F7.CA and P10.CD other bump:2.72415 Ang F7.C and P10.CD other bump:1.40034 Ang L6.O and P10.CD other bump:2.43277 Ang L6.C and P10.CD neighbor-bump: 2.63383 Ang L9.N and P10.CD other bump:3.17309 Ang F7.CA and P10.CG other bump:1.63266 Ang L6.O and P10.CG other bump:2.70264 Ang L6.C and P10.CG Number of specific fragments= 1 total=1927 # 2fal.124.125 read from T0187.t2k.frag # found chain 2fal in template set T0187 124 :GGSSLFELP 2fal 125 :GADAAWTKL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.34453 Ang L6.O and P10.CD other bump:2.51115 Ang L6.C and P10.CD other bump:3.17605 Ang F7.CA and P10.CD other bump:2.97158 Ang F7.C and P10.CD other bump:2.05502 Ang L6.O and P10.CG other bump:3.12147 Ang L6.C and P10.CG Number of specific fragments= 1 total=1928 # 1b35B.124.124 read from T0187.t2k.frag # found chain 1b35B in template set T0187 124 :GGSSLFELP 1b35B 140 :GRLMLQYIP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84091 Ang F7.CZ and L9.CD2 other bump:2.92249 Ang F7.CZ and L9.CD1 other bump:2.93287 Ang F7.CE2 and L9.CG Number of specific fragments= 1 total=1929 # 1am7A.125.130 read from T0187.t2k.frag # found chain 1am7A in template set T0187 125 :GSSLFELPL 1am7A 131 :GYGQFEHKA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5415 Ang F6.CD2 and L10.CD1 other bump:2.81033 Ang F6.CE1 and L10.CD1 other bump:1.87322 Ang F6.CE2 and L10.CD1 other bump:2.06419 Ang F6.CZ and L10.CD1 Number of specific fragments= 1 total=1930 # 1b35B.125.125 read from T0187.t2k.frag # found chain 1b35B in template set T0187 125 :GSSLFELPL 1b35B 141 :RLMLQYIPY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84091 Ang F6.CZ and L8.CD2 other bump:2.92249 Ang F6.CZ and L8.CD1 other bump:2.93287 Ang F6.CE2 and L8.CG Number of specific fragments= 1 total=1931 # 1jhfA.125.127 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 125 :GSSLFELPL 1jhfA 128 :GDLLAVHKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1932 # 2fal.125.126 read from T0187.t2k.frag # found chain 2fal in template set T0187 125 :GSSLFELPL 2fal 126 :ADAAWTKLF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.34452 Ang L5.O and P9.CD other bump:2.51115 Ang L5.C and P9.CD other bump:3.17605 Ang F6.CA and P9.CD other bump:2.97158 Ang F6.C and P9.CD other bump:2.05503 Ang L5.O and P9.CG other bump:3.12147 Ang L5.C and P9.CG Number of specific fragments= 1 total=1933 # 1fx8A.125.131 read from T0187.t2k.frag # adding 1fx8A to template set 1fx8A:# found chain 1fx8A in template set T0187 125 :GSSLFELPL 1fx8A 132 :AGTFSTYPN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88177 Ang F6.CD1 and L8.CD1 other bump:2.48937 Ang F6.CE1 and L8.CD1 Number of specific fragments= 1 total=1934 # 1mba.125.126 read from T0187.t2k.frag # found chain 1mba in training set T0187 125 :GSSLFELPL 1mba 126 :ADAAWTKLF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.59334 Ang L5.O and P9.CD other bump:2.74463 Ang L5.C and P9.CD other bump:3.02581 Ang F6.C and P9.CD other bump:2.16516 Ang L5.O and P9.CG other bump:3.27064 Ang L5.C and P9.CG Number of specific fragments= 1 total=1935 # 1b35B.126.126 read from T0187.t2k.frag # found chain 1b35B in template set T0187 126 :SSLFELPLE 1b35B 142 :LMLQYIPYA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84091 Ang F5.CZ and L7.CD2 other bump:2.92249 Ang F5.CZ and L7.CD1 other bump:2.93287 Ang F5.CE2 and L7.CG Number of specific fragments= 1 total=1936 # 1am7A.126.131 read from T0187.t2k.frag # found chain 1am7A in template set T0187 126 :SSLFELPLE 1am7A 132 :YGQFEHKAD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5415 Ang F5.CD2 and L9.CD1 other bump:2.81033 Ang F5.CE1 and L9.CD1 other bump:1.87323 Ang F5.CE2 and L9.CD1 other bump:2.06419 Ang F5.CZ and L9.CD1 Number of specific fragments= 1 total=1937 # 1jhfA.126.128 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 126 :SSLFELPLE 1jhfA 129 :DLLAVHKTQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1938 # 1fx8A.126.132 read from T0187.t2k.frag # found chain 1fx8A in template set T0187 126 :SSLFELPLE 1fx8A 133 :GTFSTYPNP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48937 Ang F5.CE1 and L7.CD1 other bump:2.88177 Ang F5.CD1 and L7.CD1 Number of specific fragments= 1 total=1939 # 1ldfA.126.132 read from T0187.t2k.frag # adding 1ldfA to template set 1ldfA:# found chain 1ldfA in template set T0187 126 :SSLFELPLE 1ldfA 133 :GTFSTYPNP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39693 Ang F5.CE1 and L7.CD1 other bump:2.81744 Ang F5.CD1 and L7.CD1 Number of specific fragments= 1 total=1940 # 2abk.126.126 read from T0187.t2k.frag # found chain 2abk in training set T0187 126 :SSLFELPLE 2abk 127 :NTAFGWPTI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50591 Ang L7.CB and L9.CD1 Number of specific fragments= 1 total=1941 # 1b35B.127.127 read from T0187.t2k.frag # found chain 1b35B in template set T0187 127 :SLFELPLEG 1b35B 143 :MLQYIPYAQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84091 Ang F4.CZ and L6.CD2 other bump:2.92249 Ang F4.CZ and L6.CD1 other bump:2.93287 Ang F4.CE2 and L6.CG Number of specific fragments= 1 total=1942 # 1jhfA.127.129 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 127 :SLFELPLEG 1jhfA 130 :LLAVHKTQD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1943 # 1fx8A.127.133 read from T0187.t2k.frag # found chain 1fx8A in template set T0187 127 :SLFELPLEG 1fx8A 134 :TFSTYPNPH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48937 Ang F4.CE1 and L6.CD1 other bump:2.88177 Ang F4.CD1 and L6.CD1 Number of specific fragments= 1 total=1944 # 1am7A.127.132 read from T0187.t2k.frag # found chain 1am7A in template set T0187 127 :SLFELPLEG 1am7A 133 :GQFEHKADS Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5415 Ang F4.CD2 and L8.CD1 other bump:2.81033 Ang F4.CE1 and L8.CD1 other bump:1.87323 Ang F4.CE2 and L8.CD1 other bump:2.06419 Ang F4.CZ and L8.CD1 Number of specific fragments= 1 total=1945 # 1ldfA.127.133 read from T0187.t2k.frag # found chain 1ldfA in template set T0187 127 :SLFELPLEG 1ldfA 134 :TFSTYPNPH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39693 Ang F4.CE1 and L6.CD1 other bump:2.81744 Ang F4.CD1 and L6.CD1 Number of specific fragments= 1 total=1946 # 2matA.127.134 read from T0187.t2k.frag # adding 2matA to template set 2matA:# found chain 2matA in template set T0187 127 :SLFELPLEG 2matA 135 :LALRMVKPG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.30606 Ang E9.CA and E9.CB neighbor-bump: 2.28817 Ang P7.O and L8.CD2 neighbor-bump: 2.55854 Ang P7.O and L8.CG neighbor-bump: 2.52205 Ang L6.N and P7.CD other bump:2.46535 Ang L3.O and P7.CD other bump:3.3176 Ang F4.CA and P7.CD other bump:2.13315 Ang F4.O and P7.CD other bump:2.61407 Ang F4.C and P7.CD Number of specific fragments= 1 total=1947 # 1b35B.128.128 read from T0187.t2k.frag # found chain 1b35B in template set T0187 128 :LFELPLEGV 1b35B 144 :LQYIPYAQY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85479 Ang L7.CD2 and V10.CG1 other bump:2.84091 Ang F3.CZ and L5.CD2 other bump:2.92249 Ang F3.CZ and L5.CD1 other bump:2.93287 Ang F3.CE2 and L5.CG Number of specific fragments= 1 total=1948 # 1c24A.128.134 read from T0187.t2k.frag # found chain 1c24A in training set T0187 128 :LFELPLEGV 1c24A 136 :ALRMVKPGI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42131 Ang E8.CB and G9.N self-bump: 2.20486 Ang E8.CB and E8.C self-bump: 1.30484 Ang E8.CA and E8.CB neighbor-bump: 2.27659 Ang P6.O and L7.CD2 neighbor-bump: 2.53765 Ang P6.O and L7.CG neighbor-bump: 2.5441 Ang L5.N and P6.CD other bump:2.46206 Ang L2.O and P6.CD other bump:2.20844 Ang F3.O and P6.CD other bump:2.638 Ang F3.C and P6.CD Number of specific fragments= 1 total=1949 # 2matA.128.135 read from T0187.t2k.frag # found chain 2matA in template set T0187 128 :LFELPLEGV 2matA 136 :ALRMVKPGI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.30606 Ang E8.CA and E8.CB neighbor-bump: 2.28817 Ang P6.O and L7.CD2 neighbor-bump: 2.55854 Ang P6.O and L7.CG neighbor-bump: 2.52205 Ang L5.N and P6.CD other bump:2.46535 Ang L2.O and P6.CD other bump:3.3176 Ang F3.CA and P6.CD other bump:2.13315 Ang F3.O and P6.CD other bump:2.61407 Ang F3.C and P6.CD Number of specific fragments= 1 total=1950 # 1mat.128.135 read from T0187.t2k.frag # adding 1mat to template set 1mat:# found chain 1mat in template set T0187 128 :LFELPLEGV 1mat 136 :ALRMVKPGI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46124 Ang P6.O and L7.CD2 other bump:2.0383 Ang L2.O and P6.CD other bump:3.10233 Ang L2.C and P6.CD other bump:2.08796 Ang F3.O and P6.CD other bump:2.5888 Ang F3.C and P6.CD other bump:2.94102 Ang E4.C and P6.CD neighbor-bump: 2.42663 Ang L5.N and P6.CD other bump:2.30021 Ang L2.O and P6.CG Number of specific fragments= 1 total=1951 # 1fx8A.128.134 read from T0187.t2k.frag # found chain 1fx8A in template set T0187 128 :LFELPLEGV 1fx8A 135 :FSTYPNPHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48937 Ang F3.CE1 and L5.CD1 other bump:2.88177 Ang F3.CD1 and L5.CD1 Number of specific fragments= 1 total=1952 # 1jhfA.128.130 read from T0187.t2k.frag # found chain 1jhfA in template set T0187 128 :LFELPLEGV 1jhfA 131 :LAVHKTQDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1953 # 1c24A.129.135 read from T0187.t2k.frag # found chain 1c24A in training set T0187 129 :FELPLEGVS 1c24A 137 :LRMVKPGIN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42131 Ang E7.CB and G8.N self-bump: 2.20486 Ang E7.CB and E7.C self-bump: 1.30484 Ang E7.CA and E7.CB neighbor-bump: 2.27659 Ang P5.O and L6.CD2 neighbor-bump: 2.53765 Ang P5.O and L6.CG neighbor-bump: 2.5441 Ang L4.N and P5.CD other bump:2.20845 Ang F2.O and P5.CD other bump:2.46206 Ang G1.O and P5.CD other bump:2.638 Ang F2.C and P5.CD Number of specific fragments= 1 total=1954 # 1mat.129.136 read from T0187.t2k.frag # found chain 1mat in template set T0187 129 :FELPLEGVS 1mat 137 :LRMVKPGIN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46123 Ang P5.O and L6.CD2 other bump:2.0383 Ang G1.O and P5.CD other bump:3.10233 Ang G1.C and P5.CD other bump:2.58881 Ang F2.C and P5.CD other bump:2.08796 Ang F2.O and P5.CD other bump:2.94102 Ang E3.C and P5.CD neighbor-bump: 2.42663 Ang L4.N and P5.CD other bump:2.30021 Ang G1.O and P5.CG Number of specific fragments= 1 total=1955 # 2matA.129.136 read from T0187.t2k.frag # found chain 2matA in template set T0187 129 :FELPLEGVS 2matA 137 :LRMVKPGIN Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.30606 Ang E7.CA and E7.CB neighbor-bump: 2.28817 Ang P5.O and L6.CD2 neighbor-bump: 2.55854 Ang P5.O and L6.CG neighbor-bump: 2.52205 Ang L4.N and P5.CD other bump:2.13315 Ang F2.O and P5.CD other bump:2.46535 Ang G1.O and P5.CD other bump:3.3176 Ang F2.CA and P5.CD other bump:2.61407 Ang F2.C and P5.CD Number of specific fragments= 1 total=1956 # 1b35B.129.129 read from T0187.t2k.frag # found chain 1b35B in template set T0187 129 :FELPLEGVS 1b35B 145 :QYIPYAQYM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70809 Ang L6.CD2 and V9.CG2 other bump:3.07219 Ang F2.CE2 and L4.CD1 other bump:3.03098 Ang F2.CZ and L4.CD1 other bump:2.81136 Ang F2.CE2 and L4.CG Number of specific fragments= 1 total=1957 # 1a41.129.129 read from T0187.t2k.frag # adding 1a41 to template set 1a41:# found chain 1a41 in template set T0187 129 :FELPLEGVS 1a41 210 :ECIKQFGIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1958 # 1fx8A.129.135 read from T0187.t2k.frag # found chain 1fx8A in template set T0187 129 :FELPLEGVS 1fx8A 136 :STYPNPHIN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55362 Ang F2.CE1 and L4.CD1 Number of specific fragments= 1 total=1959 # 1c24A.130.136 read from T0187.t2k.frag # found chain 1c24A in training set T0187 130 :ELPLEGVSL 1c24A 138 :RMVKPGINL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.4213 Ang E6.CB and G7.N self-bump: 2.20486 Ang E6.CB and E6.C self-bump: 1.30485 Ang E6.CA and E6.CB neighbor-bump: 2.27659 Ang P4.O and L5.CD2 neighbor-bump: 2.53765 Ang P4.O and L5.CG neighbor-bump: 2.5441 Ang L3.N and P4.CD other bump:2.20845 Ang G1.O and P4.CD other bump:2.638 Ang G1.C and P4.CD Number of specific fragments= 1 total=1960 # 2matA.130.137 read from T0187.t2k.frag # found chain 2matA in template set T0187 130 :ELPLEGVSL 2matA 138 :RMVKPGINL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.30606 Ang E6.CA and E6.CB neighbor-bump: 2.28817 Ang P4.O and L5.CD2 neighbor-bump: 2.55854 Ang P4.O and L5.CG neighbor-bump: 2.52205 Ang L3.N and P4.CD other bump:2.13315 Ang G1.O and P4.CD other bump:2.61407 Ang G1.C and P4.CD Number of specific fragments= 1 total=1961 # 1mat.130.137 read from T0187.t2k.frag # found chain 1mat in template set T0187 130 :ELPLEGVSL 1mat 138 :RMVKPGINL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46124 Ang P4.O and L5.CD2 neighbor-bump: 2.42663 Ang L3.N and P4.CD other bump:2.08796 Ang G1.O and P4.CD other bump:2.5888 Ang G1.C and P4.CD other bump:2.94103 Ang E2.C and P4.CD Number of specific fragments= 1 total=1962 # 1b35B.130.130 read from T0187.t2k.frag # found chain 1b35B in template set T0187 130 :ELPLEGVSL 1b35B 146 :YIPYAQYMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70809 Ang L5.CD2 and V8.CG2 Number of specific fragments= 1 total=1963 # 1a41.130.130 read from T0187.t2k.frag # found chain 1a41 in template set T0187 130 :ELPLEGVSL 1a41 211 :CIKQFGIRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1964 # 1xxcA.130.54 read from T0187.t2k.frag # adding 1xxcA to template set 1xxcA:# found chain 1xxcA in template set T0187 130 :ELPLEGVSL 1xxcA 133 :TTPANGFTV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1965 # 1c24A.131.137 read from T0187.t2k.frag # found chain 1c24A in training set T0187 131 :LPLEGVSLE 1c24A 139 :MVKPGINLR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42131 Ang E5.CB and G6.N self-bump: 2.20486 Ang E5.CB and E5.C self-bump: 1.30484 Ang E5.CA and E5.CB neighbor-bump: 2.27659 Ang P3.O and L4.CD2 neighbor-bump: 2.53765 Ang P3.O and L4.CG neighbor-bump: 2.5441 Ang L2.N and P3.CD Number of specific fragments= 1 total=1966 # 2matA.131.138 read from T0187.t2k.frag # found chain 2matA in template set T0187 131 :LPLEGVSLE 2matA 139 :MVKPGINLR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.30606 Ang E5.CA and E5.CB neighbor-bump: 2.28817 Ang P3.O and L4.CD2 neighbor-bump: 2.55854 Ang P3.O and L4.CG neighbor-bump: 2.52205 Ang L2.N and P3.CD Number of specific fragments= 1 total=1967 # 1mat.131.138 read from T0187.t2k.frag # found chain 1mat in template set T0187 131 :LPLEGVSLE 1mat 139 :MVKPGINLR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46124 Ang P3.O and L4.CD2 other bump:2.94102 Ang G1.C and P3.CD neighbor-bump: 2.42663 Ang L2.N and P3.CD Number of specific fragments= 1 total=1968 # 1a41.131.131 read from T0187.t2k.frag # found chain 1a41 in template set T0187 131 :LPLEGVSLE 1a41 212 :IKQFGIRIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1969 # 1b35B.131.131 read from T0187.t2k.frag # found chain 1b35B in template set T0187 131 :LPLEGVSLE 1b35B 147 :IPYAQYMPN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70809 Ang L4.CD2 and V7.CG2 neighbor-bump: 2.45447 Ang G1.O and L2.CD2 Number of specific fragments= 1 total=1970 # 1ueaB.131.102 read from T0187.t2k.frag # adding 1ueaB to template set 1ueaB:# found chain 1ueaB in template set T0187 131 :LPLEGVSLE 1ueaB 103 :APWNSLSLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20591 Ang L4.O and V7.CG1 Number of specific fragments= 1 total=1971 # 1c24A.132.138 read from T0187.t2k.frag # found chain 1c24A in training set T0187 132 :PLEGVSLEE 1c24A 140 :VKPGINLRE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42131 Ang E4.CB and G5.N self-bump: 2.20486 Ang E4.CB and E4.C self-bump: 1.30484 Ang E4.CA and E4.CB neighbor-bump: 2.27659 Ang P2.O and L3.CD2 neighbor-bump: 2.53765 Ang P2.O and L3.CG Number of specific fragments= 1 total=1972 # 1mat.132.139 read from T0187.t2k.frag # found chain 1mat in template set T0187 132 :PLEGVSLEE 1mat 140 :VKPGINLRE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.46124 Ang P2.O and L3.CD2 Number of specific fragments= 1 total=1973 # 2matA.132.139 read from T0187.t2k.frag # found chain 2matA in template set T0187 132 :PLEGVSLEE 2matA 140 :VKPGINLRE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.30606 Ang E4.CA and E4.CB neighbor-bump: 2.28817 Ang P2.O and L3.CD2 neighbor-bump: 2.55854 Ang P2.O and L3.CG Number of specific fragments= 1 total=1974 # 1ueaB.132.103 read from T0187.t2k.frag # found chain 1ueaB in template set T0187 132 :PLEGVSLEE 1ueaB 104 :PWNSLSLAQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20591 Ang L3.O and V6.CG1 Number of specific fragments= 1 total=1975 # 1b35B.132.132 read from T0187.t2k.frag # found chain 1b35B in template set T0187 132 :PLEGVSLEE 1b35B 148 :PYAQYMPNR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70809 Ang L3.CD2 and V6.CG2 Number of specific fragments= 1 total=1976 # 1a41.132.132 read from T0187.t2k.frag # found chain 1a41 in template set T0187 132 :PLEGVSLEE 1a41 213 :KQFGIRIKD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25198 Ang S7.OG and E10.OE2 other bump:1.2705 Ang S7.OG and E10.OE1 other bump:2.44715 Ang S7.CA and E10.OE1 other bump:2.12477 Ang S7.CB and E10.OE1 other bump:2.52477 Ang S7.C and E10.OE1 other bump:2.28106 Ang S7.N and E10.OE1 other bump:1.96677 Ang S7.OG and E10.CD other bump:2.9479 Ang S7.CB and E10.CD other bump:2.97431 Ang S7.N and E10.CD Number of specific fragments= 1 total=1977 # 1c24A.133.139 read from T0187.t2k.frag # found chain 1c24A in training set T0187 133 :LEGVSLEEI 1c24A 141 :KPGINLREI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1978 # 1mat.133.140 read from T0187.t2k.frag # found chain 1mat in template set T0187 133 :LEGVSLEEI 1mat 141 :KPGINLREI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1979 # 2matA.133.140 read from T0187.t2k.frag # found chain 2matA in template set T0187 133 :LEGVSLEEI 2matA 141 :KPGINLREI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.30606 Ang E3.CA and E3.CB neighbor-bump: 2.28817 Ang G1.O and L2.CD2 neighbor-bump: 2.55854 Ang G1.O and L2.CG Number of specific fragments= 1 total=1980 # 1b35B.133.133 read from T0187.t2k.frag # found chain 1b35B in template set T0187 133 :LEGVSLEEI 1b35B 149 :YAQYMPNRV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70809 Ang L2.CD2 and V5.CG2 Number of specific fragments= 1 total=1981 # 1a41.133.133 read from T0187.t2k.frag # found chain 1a41 in template set T0187 133 :LEGVSLEEI 1a41 214 :QFGIRIKDL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25198 Ang S6.OG and E9.OE2 other bump:1.27051 Ang S6.OG and E9.OE1 other bump:2.44714 Ang S6.CA and E9.OE1 other bump:2.12477 Ang S6.CB and E9.OE1 other bump:2.52476 Ang S6.C and E9.OE1 other bump:2.28105 Ang S6.N and E9.OE1 other bump:1.96677 Ang S6.OG and E9.CD other bump:2.9479 Ang S6.CB and E9.CD other bump:2.9743 Ang S6.N and E9.CD Number of specific fragments= 1 total=1982 # 1hufA.133.109 read from T0187.t2k.frag # adding 1hufA to template set 1hufA:# found chain 1hufA in template set T0187 133 :LEGVSLEEI 1hufA 105 :SDQMTLQDA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1983 # 1c24A.134.140 read from T0187.t2k.frag # found chain 1c24A in training set T0187 134 :EGVSLEEIQ 1c24A 142 :PGINLREIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1984 # 1mat.134.141 read from T0187.t2k.frag # found chain 1mat in template set T0187 134 :EGVSLEEIQ 1mat 142 :PGINLREIG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.31821 Ang E2.CB and G3.N self-bump: 2.17388 Ang E2.CB and E2.C self-bump: 1.29986 Ang E2.CA and E2.CB Number of specific fragments= 1 total=1985 # 2matA.134.141 read from T0187.t2k.frag # found chain 2matA in template set T0187 134 :EGVSLEEIQ 2matA 142 :PGINLREIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1986 # 1b35B.134.134 read from T0187.t2k.frag # found chain 1b35B in template set T0187 134 :EGVSLEEIQ 1b35B 150 :AQYMPNRVT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8093 Ang E2.CD and I9.CD1 other bump:1.57656 Ang E2.OE2 and I9.CD1 other bump:1.36155 Ang E2.OE1 and I9.CG2 other bump:1.7782 Ang E2.CD and I9.CG2 other bump:1.96267 Ang E2.OE2 and I9.CG2 other bump:3.10191 Ang E2.CD and I9.CG1 other bump:2.00108 Ang E2.OE2 and I9.CG1 other bump:2.44415 Ang E2.OE1 and I9.CB other bump:2.50699 Ang E2.CD and I9.CB other bump:1.95256 Ang E2.OE2 and I9.CB Number of specific fragments= 1 total=1987 # 1a41.134.134 read from T0187.t2k.frag # found chain 1a41 in template set T0187 134 :EGVSLEEIQ 1a41 215 :FGIRIKDLR Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25198 Ang S5.OG and E8.OE2 other bump:2.44714 Ang S5.CA and E8.OE1 other bump:2.12477 Ang S5.CB and E8.OE1 other bump:1.27051 Ang S5.OG and E8.OE1 other bump:2.52476 Ang S5.C and E8.OE1 other bump:2.28105 Ang S5.N and E8.OE1 other bump:2.9479 Ang S5.CB and E8.CD other bump:1.96677 Ang S5.OG and E8.CD other bump:2.9743 Ang S5.N and E8.CD Number of specific fragments= 1 total=1988 # 1hufA.134.110 read from T0187.t2k.frag # found chain 1hufA in template set T0187 134 :EGVSLEEIQ 1hufA 106 :DQMTLQDAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1989 # 1mat.135.142 read from T0187.t2k.frag # found chain 1mat in template set T0187 135 :GVSLEEIQK 1mat 143 :GINLREIGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1990 # 1c24A.135.141 read from T0187.t2k.frag # found chain 1c24A in training set T0187 135 :GVSLEEIQK 1c24A 143 :GINLREIGA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20398 Ang E6.OE2 and K10.NZ Number of specific fragments= 1 total=1991 # 2matA.135.142 read from T0187.t2k.frag # found chain 2matA in template set T0187 135 :GVSLEEIQK 2matA 143 :GINLREIGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1992 # 1b35B.135.135 read from T0187.t2k.frag # found chain 1b35B in template set T0187 135 :GVSLEEIQK 1b35B 151 :QYMPNRVTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1993 # 1tafA.135.52 read from T0187.t2k.frag # adding 1tafA to template set 1tafA:# found chain 1tafA in template set T0187 135 :GVSLEEIQK 1tafA 71 :TIDLDDVRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1994 # 1a41.135.135 read from T0187.t2k.frag # found chain 1a41 in template set T0187 135 :GVSLEEIQK 1a41 216 :GIRIKDLRT Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.25198 Ang S4.OG and E7.OE2 other bump:1.27051 Ang S4.OG and E7.OE1 other bump:2.28105 Ang S4.N and E7.OE1 other bump:2.44714 Ang S4.CA and E7.OE1 other bump:2.12477 Ang S4.CB and E7.OE1 other bump:2.52476 Ang S4.C and E7.OE1 other bump:1.96677 Ang S4.OG and E7.CD other bump:2.9743 Ang S4.N and E7.CD other bump:2.9479 Ang S4.CB and E7.CD Number of specific fragments= 1 total=1995 # 1mat.136.143 read from T0187.t2k.frag # found chain 1mat in template set T0187 136 :VSLEEIQKL 1mat 144 :INLREIGAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48223 Ang E6.O and L10.CG Number of specific fragments= 1 total=1996 # 1c24A.136.142 read from T0187.t2k.frag # found chain 1c24A in training set T0187 136 :VSLEEIQKL 1c24A 144 :INLREIGAA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20398 Ang E5.OE2 and K9.NZ Number of specific fragments= 1 total=1997 # 2matA.136.143 read from T0187.t2k.frag # found chain 2matA in template set T0187 136 :VSLEEIQKL 2matA 144 :INLREIGAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1998 # 1b35B.136.136 read from T0187.t2k.frag # found chain 1b35B in template set T0187 136 :VSLEEIQKL 1b35B 152 :YMPNRVTLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1999 # 1tafA.136.53 read from T0187.t2k.frag # found chain 1tafA in template set T0187 136 :VSLEEIQKL 1tafA 72 :IDLDDVRLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2000 # 1dj0A.136.136 read from T0187.t2k.frag # adding 1dj0A to template set 1dj0A:# found chain 1dj0A in template set T0187 136 :VSLEEIQKL 1dj0A 143 :LDAERMHRA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.66645 Ang V2.CG1 and I7.CD1 Number of specific fragments= 1 total=2001 # 1mat.137.144 read from T0187.t2k.frag # found chain 1mat in template set T0187 137 :SLEEIQKLT 1mat 145 :NLREIGAAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2002 # 1c24A.137.143 read from T0187.t2k.frag # found chain 1c24A in training set T0187 137 :SLEEIQKLT 1c24A 145 :NLREIGAAI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20398 Ang E4.OE2 and K8.NZ Number of specific fragments= 1 total=2003 # 2matA.137.144 read from T0187.t2k.frag # found chain 2matA in template set T0187 137 :SLEEIQKLT 2matA 145 :NLREIGAAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2004 # 1b35B.137.137 read from T0187.t2k.frag # found chain 1b35B in template set T0187 137 :SLEEIQKLT 1b35B 153 :MPNRVTLIN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2005 # 1tafA.137.54 read from T0187.t2k.frag # found chain 1tafA in template set T0187 137 :SLEEIQKLT 1tafA 73 :DLDDVRLAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2006 # 1a6m.137.137 read from T0187.t2k.frag # found chain 1a6m in training set T0187 137 :SLEEIQKLT 1a6m 138 :FRKDIAAKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2007 # 1mat.138.145 read from T0187.t2k.frag # found chain 1mat in template set T0187 138 :LEEIQKLTS 1mat 146 :LREIGAAIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2008 # 1c24A.138.144 read from T0187.t2k.frag # found chain 1c24A in training set T0187 138 :LEEIQKLTS 1c24A 146 :LREIGAAIQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20398 Ang E3.OE2 and K7.NZ Number of specific fragments= 1 total=2009 # 2matA.138.145 read from T0187.t2k.frag # found chain 2matA in template set T0187 138 :LEEIQKLTS 2matA 146 :LREIGAAIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2010 # 1b35B.138.138 read from T0187.t2k.frag # found chain 1b35B in template set T0187 138 :LEEIQKLTS 1b35B 154 :PNRVTLINE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2011 # 1tafA.138.55 read from T0187.t2k.frag # found chain 1tafA in template set T0187 138 :LEEIQKLTS 1tafA 74 :LDDVRLATE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2012 # 1a6m.138.138 read from T0187.t2k.frag # found chain 1a6m in training set T0187 138 :LEEIQKLTS 1a6m 139 :RKDIAAKYK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2013 # 1mat.139.146 read from T0187.t2k.frag # found chain 1mat in template set T0187 139 :EEIQKLTSA 1mat 147 :REIGAAIQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2014 # 1c24A.139.145 read from T0187.t2k.frag # found chain 1c24A in training set T0187 139 :EEIQKLTSA 1c24A 147 :REIGAAIQK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70045 Ang E2.CD and K6.NZ Number of specific fragments= 1 total=2015 # 2matA.139.146 read from T0187.t2k.frag # found chain 2matA in template set T0187 139 :EEIQKLTSA 2matA 147 :REIGAAIQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2016 # 1b35B.139.139 read from T0187.t2k.frag # found chain 1b35B in template set T0187 139 :EEIQKLTSA 1b35B 155 :NRVTLINET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2017 # 1a6m.139.139 read from T0187.t2k.frag # found chain 1a6m in training set T0187 139 :EEIQKLTSA 1a6m 140 :KDIAAKYKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2018 # 1tafA.139.56 read from T0187.t2k.frag # found chain 1tafA in template set T0187 139 :EEIQKLTSA 1tafA 75 :DDVRLATEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2019 # 1mat.140.147 read from T0187.t2k.frag # found chain 1mat in template set T0187 140 :EIQKLTSAL 1mat 148 :EIGAAIQKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2020 # 1c24A.140.146 read from T0187.t2k.frag # found chain 1c24A in training set T0187 140 :EIQKLTSAL 1c24A 148 :EIGAAIQKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2021 # 2matA.140.147 read from T0187.t2k.frag # found chain 2matA in template set T0187 140 :EIQKLTSAL 2matA 148 :EIGAAIQKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2022 # 1a6m.140.140 read from T0187.t2k.frag # found chain 1a6m in training set T0187 140 :EIQKLTSAL 1a6m 141 :DIAAKYKEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2023 # 1b35B.140.140 read from T0187.t2k.frag # found chain 1b35B in template set T0187 140 :EIQKLTSAL 1b35B 156 :RVTLINETL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2024 # 1g9zA.140.141 read from T0187.t2k.frag # adding 1g9zA to template set 1g9zA:# found chain 1g9zA in template set T0187 140 :EIQKLTSAL 1g9zA 143 :TTSETVRAV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.7839 Ang K5.O and S8.OG other bump:2.85412 Ang E2.CG and L6.CD2 neighbor-bump: 2.67204 Ang I3.CG2 and Q4.N Number of specific fragments= 1 total=2025 # 1mat.141.148 read from T0187.t2k.frag # found chain 1mat in template set T0187 141 :IQKLTSALL 1mat 149 :IGAAIQKFV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2026 # 1c24A.141.147 read from T0187.t2k.frag # found chain 1c24A in training set T0187 141 :IQKLTSALL 1c24A 149 :IGAAIQKFV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2027 # 2matA.141.148 read from T0187.t2k.frag # found chain 2matA in template set T0187 141 :IQKLTSALL 2matA 149 :IGAAIQKFV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2028 # 1a6m.141.141 read from T0187.t2k.frag # found chain 1a6m in training set T0187 141 :IQKLTSALL 1a6m 142 :IAAKYKELG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2029 # 1g9zA.141.142 read from T0187.t2k.frag # found chain 1g9zA in template set T0187 141 :IQKLTSALL 1g9zA 144 :TSETVRAVL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.78391 Ang K4.O and S7.OG neighbor-bump: 2.67204 Ang I2.CG2 and Q3.N Number of specific fragments= 1 total=2030 # 1e7lA.141.147 read from T0187.t2k.frag # adding 1e7lA to template set 1e7lA:Skipped atom 32, because occupancy 0.3 <= existing 0.700001 Skipped atom 33, because occupancy 0.3 <= existing 0.700001 Skipped atom 34, because occupancy 0.3 <= existing 0.700001 Skipped atom 35, because occupancy 0.3 <= existing 0.700001 Skipped atom 123, because occupancy 0.5 <= existing 0.500001 Skipped atom 124, because occupancy 0.5 <= existing 0.500001 Skipped atom 191, because occupancy 0.3 <= existing 0.700001 Skipped atom 192, because occupancy 0.3 <= existing 0.700001 Skipped atom 373, because occupancy 0.3 <= existing 0.600001 Skipped atom 374, because occupancy 0.4 <= existing 0.600001 Skipped atom 375, because occupancy 0.4 <= existing 0.600001 Skipped atom 376, because occupancy 0.4 <= existing 0.600001 Skipped atom 377, because occupancy 0.4 <= existing 0.600001 Skipped atom 378, because occupancy 0.4 <= existing 0.600001 Skipped atom 415, because occupancy 0.5 <= existing 0.500001 Skipped atom 416, because occupancy 0.5 <= existing 0.500001 Skipped atom 417, because occupancy 0.5 <= existing 0.500001 Skipped atom 441, because occupancy 0.3 <= existing 0.500001 Skipped atom 442, because occupancy 0.3 <= existing 0.500001 Skipped atom 443, because occupancy 0.3 <= existing 0.500001 Skipped atom 444, because occupancy 0.3 <= existing 0.500001 Skipped atom 445, because occupancy 0.3 <= existing 0.500001 Skipped atom 453, because occupancy 0.4 <= existing 0.600001 Skipped atom 454, because occupancy 0.4 <= existing 0.600001 Skipped atom 455, because occupancy 0.4 <= existing 0.600001 Skipped atom 456, because occupancy 0.4 <= existing 0.600001 Skipped atom 457, because occupancy 0.4 <= existing 0.600001 Skipped atom 557, because occupancy 0.35 <= existing 0.650001 Skipped atom 558, because occupancy 0.35 <= existing 0.650001 Skipped atom 559, because occupancy 0.35 <= existing 0.650001 Skipped atom 560, because occupancy 0.35 <= existing 0.650001 Skipped atom 561, because occupancy 0.35 <= existing 0.650001 Skipped atom 570, because occupancy 0.43 <= existing 0.570001 Skipped atom 571, because occupancy 0.43 <= existing 0.570001 Skipped atom 572, because occupancy 0.43 <= existing 0.570001 Skipped atom 573, because occupancy 0.43 <= existing 0.570001 Skipped atom 574, because occupancy 0.43 <= existing 0.570001 Skipped atom 660, because occupancy 0.5 <= existing 0.500001 Skipped atom 661, because occupancy 0.5 <= existing 0.500001 Skipped atom 754, because occupancy 0.3 <= existing 0.700001 Skipped atom 755, because occupancy 0.3 <= existing 0.700001 Skipped atom 756, because occupancy 0.3 <= existing 0.700001 Skipped atom 781, because occupancy 0.3 <= existing 0.700001 Skipped atom 782, because occupancy 0.3 <= existing 0.700001 Skipped atom 783, because occupancy 0.3 <= existing 0.700001 Skipped atom 784, because occupancy 0.3 <= existing 0.700001 Skipped atom 785, because occupancy 0.3 <= existing 0.700001 Skipped atom 786, because occupancy 0.3 <= existing 0.700001 Skipped atom 787, because occupancy 0.3 <= existing 0.700001 Skipped atom 788, because occupancy 0.3 <= existing 0.700001 Skipped atom 867, because occupancy 0.35 <= existing 0.650001 Skipped atom 868, because occupancy 0.35 <= existing 0.650001 Skipped atom 869, because occupancy 0.35 <= existing 0.650001 Skipped atom 870, because occupancy 0.35 <= existing 0.650001 Skipped atom 871, because occupancy 0.35 <= existing 0.650001 Skipped atom 872, because occupancy 0.35 <= existing 0.650001 Skipped atom 922, because occupancy 0.2 <= existing 0.800001 Skipped atom 923, because occupancy 0.2 <= existing 0.800001 Skipped atom 924, because occupancy 0.2 <= existing 0.800001 Skipped atom 925, because occupancy 0.2 <= existing 0.800001 Skipped atom 926, because occupancy 0.2 <= existing 0.800001 Skipped atom 927, because occupancy 0.2 <= existing 0.800001 Skipped atom 928, because occupancy 0.2 <= existing 0.800001 Skipped atom 929, because occupancy 0.2 <= existing 0.800001 Skipped atom 975, because occupancy 0.4 <= existing 0.600001 Skipped atom 976, because occupancy 0.4 <= existing 0.600001 Skipped atom 1053, because occupancy 0.5 <= existing 0.500001 Skipped atom 1054, because occupancy 0.5 <= existing 0.500001 Skipped atom 1055, because occupancy 0.5 <= existing 0.500001 Skipped atom 1056, because occupancy 0.5 <= existing 0.500001 Skipped atom 1057, because occupancy 0.5 <= existing 0.500001 Skipped atom 1058, because occupancy 0.5 <= existing 0.500001 Skipped atom 1098, because occupancy 0.2 <= existing 0.800001 Skipped atom 1099, because occupancy 0.2 <= existing 0.800001 Skipped atom 1100, because occupancy 0.2 <= existing 0.800001 Skipped atom 1101, because occupancy 0.2 <= existing 0.800001 Skipped atom 1102, because occupancy 0.2 <= existing 0.800001 Skipped atom 1111, because occupancy 0.43 <= existing 0.570001 Skipped atom 1112, because occupancy 0.43 <= existing 0.570001 Skipped atom 1113, because occupancy 0.43 <= existing 0.570001 Skipped atom 1114, because occupancy 0.43 <= existing 0.570001 Skipped atom 1115, because occupancy 0.43 <= existing 0.570001 Skipped atom 1197, because occupancy 0.3 <= existing 0.700001 Skipped atom 1198, because occupancy 0.3 <= existing 0.700001 Skipped atom 1199, because occupancy 0.3 <= existing 0.700001 Skipped atom 1200, because occupancy 0.3 <= existing 0.700001 Skipped atom 1201, because occupancy 0.3 <= existing 0.700001 Skipped atom 1304, because occupancy 0.5 <= existing 0.500001 Skipped atom 1305, because occupancy 0.5 <= existing 0.500001 Skipped atom 1334, because occupancy 0.25 <= existing 0.750001 Skipped atom 1335, because occupancy 0.25 <= existing 0.750001 Skipped atom 1336, because occupancy 0.25 <= existing 0.750001 Skipped atom 1337, because occupancy 0.25 <= existing 0.750001 Skipped atom 1338, because occupancy 0.25 <= existing 0.750001 Skipped atom 1339, because occupancy 0.25 <= existing 0.750001 Skipped atom 1340, because occupancy 0.25 <= existing 0.750001 Skipped atom 1350, because occupancy 0.4 <= existing 0.600001 Skipped atom 1351, because occupancy 0.4 <= existing 0.600001 Skipped atom 1352, because occupancy 0.4 <= existing 0.600001 Skipped atom 1353, because occupancy 0.4 <= existing 0.600001 Skipped atom 1354, because occupancy 0.4 <= existing 0.600001 # found chain 1e7lA in template set T0187 141 :IQKLTSALL 1e7lA 148 :FKKQLRKSL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2031 # command:# Prefix for output files set to # command:# Printing 110 template chains to Template.atoms # Printed template library # command:# Prefix for output files set to decoys/ # command:CPU_time= 401460 msec, elapsed time= 490698 msec) # command:# Setting InsertAlignment to 0.3 # Setting ClashingRotamer to 0.5 # Setting InsertFragment to 1 # Setting CrossAndInsert to 1 # Setting TwoFragment to 1 # Setting InsertSpecificFragment to 1.5 # Setting ReduceBreak to 5 # Setting CloseGap to 0.1 # Setting ReduceClash to 1 # Setting JiggleSubtree to 0.03 # Setting OptSubtree to 0.03 # Setting InsertSSBond to 0 # Setting ImproveSSBond to 0 # Initial Method pseudocounts set to # InsertAlignment 0.3 # InsertSpecificFragment 1.5 # InsertFragment 1 # TwoFragment 1 # CrossOver 0.05 # CrossAndInsert 1 # ReduceClash 1 # OneRotamer 0 # ClashingRotamer 0.5 # ReduceBreak 5 # CloseGap 0.1 # JiggleSubtree 0.03 # OptSubtree 0.03 # ReduceConstraint 0.2 # InsertSSBond 0 # ImproveSSBond 0 # command:# naming current conformation T0187.try1 # command:# OptConform to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will do 2 iterations of optimization # iteration 0 # filling pool to have 40 conformations # best score in initial pool out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi at pool[7] 81.1949 cost/residue, 182 clashes # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 79.886 cost/residue, 188 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 7 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 4 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.629844 -0.461101 -0.0573857 -0.622406 -3.00645 32.6547 31.0491 # generation 2: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 79.7545 cost/residue, 190 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 10 ## InsertFragment 16 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 8 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 78.5899 cost/residue, 210 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 13 ## InsertFragment 20 ## TwoFragment 11 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.573892 -0.737937 0.322318 0.149025 4.54162 -3.90808 61.192 # generation 4: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 78.4755 cost/residue, 279 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 27 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 28 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 5: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 78.4755 cost/residue, 279 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 18 ## InsertFragment 34 ## TwoFragment 13 ## CrossOver 0 ## CrossAndInsert 35 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 10 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 77.2677 cost/residue, 287 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 19 ## InsertFragment 38 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 41 ## ReduceClash 10 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 18 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D82 jump= 0.614973 0.399118 0.206509 0.647971 22.0371 7.10127 -22.1627 # Removing break before 106 # generation 7: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 77.2677 cost/residue, 287 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 20 ## InsertFragment 41 ## TwoFragment 14 ## CrossOver 1 ## CrossAndInsert 48 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 22 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 137 # generation 8: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 77.2409 cost/residue, 331 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 22 ## InsertFragment 47 ## TwoFragment 14 ## CrossOver 1 ## CrossAndInsert 53 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 29 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.284201 -0.862327 -0.287213 -0.305172 -22.0295 33.091 -21.9002 # jumping subtree containing (T0187)L120 jump= 0.568379 -0.187463 0.667084 -0.443623 -25.7923 -10.1657 -2.14552 # generation 9: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 77.0009 cost/residue, 304 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 49 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 59 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 35 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # generation 10: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 77.0009 cost/residue, 304 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 25 ## InsertFragment 49 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 59 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 50 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V45 jump= 0.604945 0.786299 -0.086797 -0.0907813 -23.4718 -16.6167 -18.5743 # jumping subtree containing (T0187)D82 jump= 0.706239 -0.0530458 0.535952 0.45953 42.1444 -14.2195 23.1565 # Removing break before 77 # Removing break before 51 # generation 11: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 76.7834 cost/residue, 298 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 25 ## InsertFragment 49 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 62 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 65 ## OptSubtree 35 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 51 # Removing break before 81 # generation 12: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 76.2605 cost/residue, 356 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 25 ## InsertFragment 52 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 63 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 74 ## OptSubtree 45 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 13: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 76.2605 cost/residue, 356 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 27 ## InsertFragment 56 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 64 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 89 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M52 jump= -0.761876 0.269607 0.326243 0.490329 5.46459 5.70996 25.7931 # jumping subtree containing (T0187)E13 jump= 0.929752 0.00216396 0.146194 -0.337911 -29.2481 1.0616 5.22173 # Removing break before 38 # jumping subtree containing (T0187)E84 jump= -0.430396 0.69378 0.206535 -0.539233 -3.325 4.00143 5.34373 # generation 14: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 76.0928 cost/residue, 363 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 57 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 67 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 103 ## OptSubtree 60 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R39 jump= 0.279003 -0.0595724 -0.896705 0.33842 -17.8009 22.1413 -8.46458 # jumping subtree containing (T0187)M1 jump= -0.829013 0.471629 0.243675 -0.175857 15.4519 -3.7532 29.6723 # jumping subtree containing (T0187)E140 jump= -0.999906 -0.00856628 0.0107248 0.000410199 -28.5456 -1.74961 -9.39589 # Removing break before 118 # jumping subtree containing (T0187)M1 jump= 0.993041 0.116675 0.013612 0.00839997 -7.68478 6.52005 -25.2064 # generation 15: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 76.0047 cost/residue, 377 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 57 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 68 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 117 ## OptSubtree 67 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 78 # Removing break before 100 # jumping subtree containing (T0187)P93 jump= -0.0636343 0.361807 0.441271 0.818735 45.1036 -10.6859 -1.69997 # jumping subtree containing (T0187)G74 jump= -0.464599 0.315004 0.538955 0.628051 -58.4171 12.8905 7.38468 # Removing break before 118 # generation 16: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 75.4417 cost/residue, 377 clashes 0.0121737 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 69 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 9 ## JiggleSubtree 133 ## OptSubtree 75 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 100 # jumping subtree containing (T0187)W50 jump= 0.500457 0.416214 -0.394492 0.648602 2.64787 -17.7725 22.1097 # jumping subtree containing (T0187)K34 jump= -0.873028 0.0143156 -0.463179 0.151931 21.0705 -15.4216 -21.0005 # generation 17: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 75.4417 cost/residue, 377 clashes 0.0121737 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 60 ## TwoFragment 16 ## CrossOver 1 ## CrossAndInsert 69 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 152 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 139 # Removing break before 139 # Removing break before 139 # jumping subtree containing (T0187)L118 jump= 0.618686 -0.634432 0.392737 -0.24593 30.9834 28.2183 25.6895 # generation 18: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 75.2993 cost/residue, 334 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 60 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 70 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 173 ## OptSubtree 100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 139 # jumping subtree containing (T0187)E140 jump= 0.281036 -0.482623 0.827 -0.0645383 -38.705 -15.2175 -16.8659 # jumping subtree containing (T0187)M1 jump= -0.531864 -0.349483 -0.770568 0.0347508 23.5995 2.82114 -33.1655 # jumping subtree containing (T0187)P24 jump= -0.122898 0.158323 -0.152841 0.967713 -87.6225 -42.4747 -18.0518 # jumping subtree containing (T0187)M1 jump= 0.141537 0.91172 -0.377782 -0.0775602 2.96638 4.41363 -11.5314 # Removing break before 139 # Removing break before 139 # Removing break before 139 # Removing break before 139 # generation 19: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 75.2992 cost/residue, 334 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 60 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 70 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 186 ## OptSubtree 112 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= -0.568956 0.647728 0.323342 -0.390113 -23.3875 18.0053 -5.15368 # jumping subtree containing (T0187)P24 jump= 0.731911 -0.47505 -0.383478 -0.30262 -32.0111 -12.983 31.9714 # generation 20: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 75.2547 cost/residue, 391 clashes 0.031161 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 60 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 70 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 206 ## OptSubtree 123 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 87 # Removing break before 87 # jumping subtree containing (T0187)A88 jump= 0.969634 -0.0173339 0.213242 -0.11848 18.2566 0.42155 -16.9185 # Removing break before 87 # jumping subtree containing (T0187)M52 jump= 0.462189 0.792394 0.20815 0.339361 20.0459 -50.7448 46.6121 # Removing break before 87 # generation 21: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 75.2392 cost/residue, 337 clashes 0.00923725 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 61 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 70 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 218 ## OptSubtree 137 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.726279 -0.419485 0.063894 -0.540804 -42.1611 -28.8771 34.4812 # jumping subtree containing (T0187)Q142 jump= 0.81602 0.0802364 0.355902 -0.448338 9.69138 -42.063 -14.8675 # Removing break before 139 # jumping subtree containing (T0187)M1 jump= 0.451902 -0.339463 0.755556 0.331187 -53.4951 -9.9315 -4.47316 # Removing break before 141 # Removing break before 87 # generation 22: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 75.1776 cost/residue, 330 clashes 0.0120929 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 62 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 70 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 234 ## OptSubtree 150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M52 jump= 0.152669 -0.896725 -0.373953 -0.180931 47.5121 -46.6555 17.0869 # Removing break before 139 # Removing break before 139 # jumping subtree containing (T0187)A88 jump= 0.855321 0.221612 0.465997 0.046493 3.87689 -5.07501 -12.0388 # Removing break before 23 # jumping subtree containing (T0187)E140 jump= 0.396486 -0.328555 -0.571999 0.638489 -63.2177 -8.51352 -70.7496 # Removing break before 109 # jumping subtree containing (T0187)Q110 jump= -0.386152 0.0863609 0.917587 0.0382495 -40.5259 2.68581 3.57575 # generation 23: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.9475 cost/residue, 331 clashes 0.0092372 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 64 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 71 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 252 ## OptSubtree 161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 23 # jumping subtree containing (T0187)G123 jump= -0.940281 0.0728697 0.044956 0.329456 15.5612 -15.544 11.8555 # Removing break before 23 # Removing break before 109 # Removing break before 23 # jumping subtree containing (T0187)L149 jump= 0.466628 -0.616918 -0.6162 0.148216 -38.823 17.2645 -54.8362 # generation 24: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.9475 cost/residue, 331 clashes 0.0092372 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 64 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 71 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 271 ## OptSubtree 171 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 109 # generation 25: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.9475 cost/residue, 331 clashes 0.00923725 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 65 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 71 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 294 ## OptSubtree 183 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.707947 0.501361 -0.386066 -0.31369 7.20384 -8.82679 -33.8365 # Removing break before 109 # jumping subtree containing (T0187)S122 jump= -0.585828 0.674985 -0.0832745 -0.440756 -24.3318 -0.273755 -76.7498 # jumping subtree containing (T0187)A88 jump= 0.923042 0.0440412 -0.365634 -0.111199 -2.78197 4.21302 22.3705 # Removing break before 109 # Removing break before 109 # jumping subtree containing (T0187)A88 jump= -0.0899766 -0.440824 0.774591 -0.444509 23.8815 -19.5091 -47.0174 # jumping subtree containing (T0187)A88 jump= -0.932224 0.263127 -0.0755149 -0.236685 20.1074 33.1294 -16.9444 # generation 26: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.9474 cost/residue, 331 clashes 0.00923729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 65 ## TwoFragment 16 ## CrossOver 3 ## CrossAndInsert 71 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 314 ## OptSubtree 195 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q110 jump= 0.902232 -0.314778 0.200367 -0.216204 -5.1428 -24.2279 -9.75029 # jumping subtree containing (T0187)A88 jump= -0.229583 0.368963 0.165223 -0.885359 -55.1348 0.635243 -29.8402 # jumping subtree containing (T0187)A88 jump= 0.99098 -0.105619 -0.0616374 0.0548128 18.2733 5.69543 -16.5367 # jumping subtree containing (T0187)A88 jump= -0.00410925 0.534 0.281959 0.797074 78.323 -17.4512 -31.3187 # Removing break before 109 # Removing break before 109 # jumping subtree containing (T0187)S18 jump= -0.484041 -0.738005 0.179884 0.434389 -26.8834 -34.7096 -28.4394 # jumping subtree containing (T0187)D115 jump= -0.997645 -0.062512 -0.0228116 0.0165981 13.2058 -12.8208 -24.3066 # generation 27: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.9474 cost/residue, 331 clashes 0.00923726 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 65 ## TwoFragment 16 ## CrossOver 3 ## CrossAndInsert 71 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 321 ## OptSubtree 212 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 109 # jumping subtree containing (T0187)M1 jump= 0.490507 0.196451 0.686849 0.499048 46.956 11.2057 -48.6283 # jumping subtree containing (T0187)A88 jump= -0.756991 0.346271 0.430846 0.348472 14.681 36.7187 -67.0707 # jumping subtree containing (T0187)E139 jump= -0.0587827 0.482604 0.780146 -0.393713 -6.5608 -26.6133 -53.692 # generation 28: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.9474 cost/residue, 331 clashes 0.00923726 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 65 ## TwoFragment 16 ## CrossOver 4 ## CrossAndInsert 71 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 330 ## OptSubtree 226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.980016 -0.164946 -0.0553944 0.0964009 -2.29536 26.3029 12.4815 # Removing break before 109 # jumping subtree containing (T0187)A88 jump= -0.231909 0.64377 0.654669 -0.321225 -39.0066 -12.8231 -90.721 # jumping subtree containing (T0187)Q110 jump= 0.945735 0.226057 0.104662 -0.208639 5.44834 -32.9736 15.818 # jumping subtree containing (T0187)A88 jump= 0.0139735 -0.628709 -0.774711 0.065969 40.1906 -20.9823 -128.566 # generation 29: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.8548 cost/residue, 331 clashes 0.00923726 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 66 ## TwoFragment 16 ## CrossOver 4 ## CrossAndInsert 71 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 346 ## OptSubtree 233 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V45 jump= -0.363387 -0.839832 -0.0387463 0.401411 -45.7641 -132.067 -78.8052 # jumping subtree containing (T0187)I80 jump= 0.193312 0.0311622 0.855342 -0.479635 45.0679 -97.6688 -161.59 # jumping subtree containing (T0187)L133 jump= 0.848447 0.272094 0.451736 0.0451398 26.3491 -17.5313 6.43986 # jumping subtree containing (T0187)Q110 jump= 0.540236 -0.76792 0.146405 0.311463 -26.2066 35.6877 -101.365 # jumping subtree containing (T0187)A88 jump= 0.844591 0.0404457 -0.530224 0.0623955 -64.9535 -30.522 -32.1607 # Removing break before 109 # generation 30: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.7539 cost/residue, 333 clashes 0.017519 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 67 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 71 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 356 ## OptSubtree 246 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.0588186 0.572913 0.815887 -0.0513749 13.3615 -18.4646 -115.091 # Removing break before 109 # jumping subtree containing (T0187)A88 jump= 0.812297 0.55373 -0.108471 -0.147619 2.85441 -80.6951 23.2328 # jumping subtree containing (T0187)L60 jump= 0.249841 -0.484057 0.635253 -0.547469 34.7511 -78.9041 -93.3953 # Removing break before 109 # jumping subtree containing (T0187)A88 jump= 0.768596 -0.360529 -0.381583 -0.365615 -5.42331 10.7732 -36.9689 # jumping subtree containing (T0187)L42 jump= 0.934072 0.25746 -0.227021 -0.0984184 -16.4041 -55.6231 -5.32061 # generation 31: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.7539 cost/residue, 333 clashes 0.017519 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 67 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 71 ## ReduceClash 27 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 374 ## OptSubtree 261 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= -0.951804 0.0416325 0.197566 -0.230877 -30.0437 -10.0089 -1.54923 # Removing break before 109 # jumping subtree containing (T0187)A88 jump= 0.817482 0.334511 0.466928 0.0424645 62.0423 -16.3699 -42.7739 # jumping subtree containing (T0187)A88 jump= 0.724949 0.2065 0.477303 -0.451651 63.951 -68.9425 -47.4104 # jumping subtree containing (T0187)A88 jump= -0.847236 -0.283349 0.449332 0.00230383 -87.4648 -39.8441 -55.2592 # jumping subtree containing (T0187)Q110 jump= -0.628303 0.761065 -0.124028 0.103114 38.2797 20.7188 -120.927 # Removing break before 109 # generation 32: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.5676 cost/residue, 331 clashes 0.0339877 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 67 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 71 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 395 ## OptSubtree 272 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.999784 0.00387187 0.0160101 0.0126649 -6.66394 -21.7222 -13.248 # jumping subtree containing (T0187)A88 jump= -0.649564 0.660582 0.154524 -0.34325 -43.657 0.589205 -95.277 # jumping subtree containing (T0187)E139 jump= -0.973639 0.0931458 -0.0717936 0.195439 16.5692 36.6599 -12.87 # jumping subtree containing (T0187)Y86 jump= 0.788374 -0.295237 -0.499157 0.205288 -93.8947 15.145 -69.3337 # jumping subtree containing (T0187)M1 jump= -0.911098 0.398839 -0.100752 -0.026041 6.4249 36.9445 -75.0679 # Removing break before 43 # jumping subtree containing (T0187)Q110 jump= -0.0369992 -0.749317 -0.251771 -0.611364 46.5039 -20.8734 -43.3355 # jumping subtree containing (T0187)S126 jump= 0.814876 0.465108 0.26475 -0.222619 24.6632 -79.9442 -71.197 # generation 33: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.5676 cost/residue, 331 clashes 0.0339877 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 67 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 73 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 408 ## OptSubtree 288 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.780411 -0.522392 0.272274 -0.209601 21.3826 1.50639 -94.2514 # Removing break before 109 # Removing break before 109 # generation 34: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.5562 cost/residue, 329 clashes 0.0339877 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 67 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 73 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 422 ## OptSubtree 302 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= -0.840356 0.180869 0.503102 0.0893107 -62.4317 18.7664 -3.5895 # Removing break before 43 # jumping subtree containing (T0187)K9 jump= 0.999192 -0.0109633 0.0380035 -0.00715735 19.4968 -6.01132 20.8385 # jumping subtree containing (T0187)A147 jump= -0.46597 0.401554 -0.468919 -0.63383 -68.7615 52.2764 -60.5379 # Removing break before 87 # generation 35: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.4461 cost/residue, 327 clashes 0.046081 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 73 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 435 ## OptSubtree 319 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A44 jump= -0.933117 -0.297757 -0.188657 -0.071007 4.87953 -42.8059 -16.505 # jumping subtree containing (T0187)I64 jump= -0.798117 -0.569887 -0.162554 0.108692 8.36788 -48.7497 -33.9385 # Removing break before 43 # Removing break before 87 # Removing break before 43 # Removing break before 43 # jumping subtree containing (T0187)M1 jump= -0.998286 0.0464547 0.0354804 0.00291153 -3.16059 -2.99232 -9.15567 # generation 36: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.4461 cost/residue, 327 clashes 0.046081 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 73 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 458 ## OptSubtree 328 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= -0.441836 -0.30502 -0.797358 -0.275615 23.7706 17.4545 -98.5367 # jumping subtree containing (T0187)Q110 jump= -0.988754 -0.111471 0.0993972 -0.00771169 4.23409 -13.5779 17.8641 # Removing break before 43 # jumping subtree containing (T0187)A44 jump= -0.727645 0.310362 0.572093 0.216605 -72.1581 31.0432 -66.9358 # generation 37: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.4461 cost/residue, 327 clashes 0.0460806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 73 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 475 ## OptSubtree 345 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= -0.276727 0.887381 -0.201667 0.308718 14.9804 -42.8176 -111.592 # jumping subtree containing (T0187)A88 jump= 0.951077 -0.0495033 -0.0339153 0.30307 -18.1668 -32.0846 -9.27801 # Removing break before 23 # generation 38: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.446 cost/residue, 327 clashes 0.0460809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 73 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 488 ## OptSubtree 357 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.0990685 0.784255 -0.0625398 0.609276 96.2104 -37.2474 -90.895 # Removing break before 23 # jumping subtree containing (T0187)S126 jump= -0.98114 -0.0346217 0.0816424 -0.171755 0.543255 7.85983 -10.961 # jumping subtree containing (T0187)A88 jump= -0.964073 -0.0158616 -0.0791459 0.253076 27.661 6.09999 -3.00685 # jumping subtree containing (T0187)A147 jump= 0.74086 0.539223 0.399686 -0.0248377 53.3111 -63.647 -74.4229 # Removing break before 109 # jumping subtree containing (T0187)A147 jump= -0.0572941 0.811341 -0.498016 -0.300704 -66.7968 -9.43079 -148.485 # jumping subtree containing (T0187)M1 jump= 0.963793 0.25919 0.0616988 -0.0108286 -5.72442 -45.7953 5.73957 # generation 39: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.1559 cost/residue, 321 clashes 0.0500531 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 73 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 497 ## OptSubtree 371 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.367933 -0.528316 0.746013 0.170213 2.19055 31.705 -100.365 # Removing break before 43 # Removing break before 23 # jumping subtree containing (T0187)A44 jump= 0.997678 0.0192748 0.0564321 -0.0329032 20.3314 -6.48087 3.49522 # Removing break before 109 # jumping subtree containing (T0187)M1 jump= -0.987838 -0.0924598 0.055886 0.111821 -12.3521 -25.1011 15.206 # Removing break before 87 # generation 40: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.1559 cost/residue, 321 clashes 0.0500531 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 74 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 512 ## OptSubtree 380 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= -0.353633 -0.779725 -0.336932 -0.391727 43.5723 -36.5517 -80.4257 # jumping subtree containing (T0187)S126 jump= 0.121605 -0.965969 -0.222031 0.0530778 -27.2201 -20.9975 -156.765 # Removing break before 23 # Removing break before 109 # jumping subtree containing (T0187)S126 jump= -0.0947209 0.403281 0.775877 -0.475822 -44.5359 -45.0899 -155.948 # jumping subtree containing (T0187)V45 jump= -0.420231 -0.35316 0.597972 0.584049 -84.5014 -19.2324 -67.0346 # generation 41: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.1559 cost/residue, 321 clashes 0.050053 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 74 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 528 ## OptSubtree 395 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.934706 0.340423 -0.0928795 -0.0425457 -16.4496 -63.5426 -0.0317497 # jumping subtree containing (T0187)A147 jump= -0.991396 0.114773 0.0245524 0.0579587 -0.493685 -8.85214 -15.677 # jumping subtree containing (T0187)A88 jump= 0.992721 -0.11434 0.0375749 0.00441374 6.38756 27.7867 -30.1108 # Removing break before 43 # jumping subtree containing (T0187)A88 jump= 0.201465 0.887054 -0.155707 0.385101 1.95671 -76.6362 -48.7046 # jumping subtree containing (T0187)A88 jump= -0.0658517 -0.000177496 -0.230314 0.970886 -39.2605 -56.8084 -4.47519 # Removing break before 109 # jumping subtree containing (T0187)A147 jump= -0.988655 -0.0729348 -0.129023 -0.0243737 25.3245 13.5636 -25.0704 # generation 42: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.0472 cost/residue, 320 clashes 0.0500529 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 75 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 537 ## OptSubtree 409 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= -0.899014 0.0875348 -0.17527 -0.391653 6.44534 26.2976 9.9747 # jumping subtree containing (T0187)S126 jump= -0.946813 -0.0552764 0.301029 0.0993564 -92.526 -21.3549 -30.333 # jumping subtree containing (T0187)S126 jump= -0.9039 -0.346286 0.249156 -0.0311725 -17.4997 -49.7696 16.8176 # jumping subtree containing (T0187)P24 jump= -0.996611 -0.0394488 -0.0122542 -0.0711372 12.6337 -9.17957 -1.07449 # Removing break before 87 # generation 43: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.0472 cost/residue, 320 clashes 0.0500531 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 68 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 75 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 551 ## OptSubtree 421 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.193041 -0.788249 -0.333413 -0.479828 39.9862 -14.2149 -104.482 # jumping subtree containing (T0187)L121 jump= -0.119454 -0.169295 -0.263136 -0.942247 1.72264 -22.2798 13.3601 # Removing break before 87 # jumping subtree containing (T0187)M1 jump= 0.997418 0.00233834 0.0709871 -0.0105719 -6.07098 16.5144 -11.2718 # Removing break before 43 # jumping subtree containing (T0187)P24 jump= -0.850248 0.127858 0.0478705 -0.508369 -21.7877 1.32207 -5.73649 # jumping subtree containing (T0187)A88 jump= -0.79743 -0.32788 0.228671 0.452005 -24.0213 -47.7185 -23.9982 # jumping subtree containing (T0187)L121 jump= 0.655756 0.0474629 0.702678 -0.271982 40.4446 -31.393 -104.486 # jumping subtree containing (T0187)S126 jump= 0.571574 0.600397 -0.553849 0.0779643 -72.4642 -60.1316 -65.3731 # generation 44: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.0269 cost/residue, 318 clashes 0.0465634 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 75 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 563 ## OptSubtree 440 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # jumping subtree containing (T0187)P24 jump= -0.998658 -0.024311 0.0456513 -0.00248402 -10.0647 20.1621 -11.2291 # Removing break before 23 # jumping subtree containing (T0187)E139 jump= -0.322729 0.0263749 -0.0920915 -0.941631 -34.8666 -28.6413 -25.141 # jumping subtree containing (T0187)A147 jump= -0.922932 -0.078526 -0.336781 -0.169141 30.9799 7.69554 -36.7524 # jumping subtree containing (T0187)A88 jump= -0.166477 -0.839061 0.0591848 -0.514548 61.5421 -95.8846 -75.9971 # jumping subtree containing (T0187)P24 jump= 0.346541 0.53578 0.767041 0.067062 79.9931 -26.7606 -72.6432 # jumping subtree containing (T0187)A147 jump= -0.959221 -0.114008 0.121457 0.228355 -27.5963 -30.5434 24.0689 # generation 45: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.0268 cost/residue, 318 clashes 0.0465636 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 75 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 574 ## OptSubtree 461 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.951419 0.0474461 -0.303333 -0.0232419 -26.2837 5.7366 9.83995 # jumping subtree containing (T0187)S126 jump= -0.163769 -0.432787 -0.491018 -0.73809 75.9175 -3.65414 -22.7407 # jumping subtree containing (T0187)A88 jump= 0.407792 0.234052 0.864453 -0.177893 -16.8883 -15.265 -93.813 # jumping subtree containing (T0187)A88 jump= -0.381258 -0.64363 0.588758 0.306181 -64.6172 -71.3226 -28.6107 # jumping subtree containing (T0187)A147 jump= -0.902901 0.1083 -0.218042 0.354257 44.7187 -8.36977 -38.024 # jumping subtree containing (T0187)Q110 jump= 0.738107 0.332219 0.535195 0.241651 56.9705 2.23375 -14.8823 # jumping subtree containing (T0187)S126 jump= -0.933465 0.269668 -0.181382 0.151732 31.0672 24.2042 -40.5597 # generation 46: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 74.0268 cost/residue, 318 clashes 0.0465635 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 75 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 589 ## OptSubtree 473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N96 jump= -0.999006 -0.0371054 -0.00382785 0.0244047 3.65021 -2.72086 -15.2816 # jumping subtree containing (T0187)A88 jump= 0.83147 -0.456183 0.237619 0.20998 2.54566 28.752 -58.6051 # jumping subtree containing (T0187)M1 jump= 0.492289 0.306139 0.716731 0.387592 44.2357 23.1151 -76.6263 # jumping subtree containing (T0187)K8 jump= -0.93376 0.344722 -0.0642486 -0.0716304 7.71002 22.5298 -30.0384 # jumping subtree containing (T0187)A44 jump= -0.904016 -0.00141825 -0.426311 0.0318169 71.8568 -13.8636 -24.9421 # Removing break before 87 # jumping subtree containing (T0187)A88 jump= 0.77568 0.408203 0.416547 0.241205 45.9474 -30.5489 -85.9495 # Removing break before 43 # jumping subtree containing (T0187)A88 jump= 0.984858 0.112335 -0.0805585 -0.104621 4.23446 -27.0548 10.5276 # jumping subtree containing (T0187)A147 jump= -0.853787 -0.0676411 0.367982 0.362025 -34.3452 -30.68 -16.4486 # generation 47: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9934 cost/residue, 321 clashes 0.0488082 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 75 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 602 ## OptSubtree 483 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= -0.900807 -0.17091 0.155515 0.367629 -61.8873 -53.237 -23.8703 # jumping subtree containing (T0187)A44 jump= 0.424355 -0.569175 -0.671623 -0.21186 -84.002 85.1545 -121.243 # jumping subtree containing (T0187)A147 jump= 0.396357 0.619174 0.677827 0.00869009 64.9663 -53.4545 -125.341 # Removing break before 23 # jumping subtree containing (T0187)A44 jump= -0.733389 -0.384939 -0.288419 -0.480392 22.8702 -27.6456 3.31898 # jumping subtree containing (T0187)A88 jump= -0.543217 0.83668 0.0437194 -0.0545002 -20.6826 -15.9078 -106.932 # Removing break before 43 # jumping subtree containing (T0187)S126 jump= 0.682065 -0.363986 -0.301259 0.558162 -129.666 28.7653 -56.5568 # jumping subtree containing (T0187)A147 jump= -0.166034 0.0480917 -0.143285 -0.974469 -103.146 24.4554 1.70712 # generation 48: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9934 cost/residue, 321 clashes 0.0488082 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 75 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 611 ## OptSubtree 499 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # jumping subtree containing (T0187)M1 jump= -0.481203 0.531343 -0.22265 -0.660715 -104.133 -6.26407 -80.6776 # jumping subtree containing (T0187)A147 jump= -0.479174 0.111722 0.399743 -0.77338 -67.5045 -77.9659 -72.5204 # jumping subtree containing (T0187)P24 jump= -0.547437 -0.0701523 0.644112 0.529633 -77.5956 30.8468 -4.94212 # jumping subtree containing (T0187)A44 jump= -0.918388 -0.18674 0.0658565 -0.34257 -8.56989 -49.2177 -9.49743 # Removing break before 112 # jumping subtree containing (T0187)S126 jump= -0.974893 0.0829083 -0.199547 0.0537604 39.612 20.0042 -24.7976 # Removing break before 112 # jumping subtree containing (T0187)L133 jump= -0.904813 0.392923 0.104982 0.126111 -13.1748 31.5662 -61.5431 # generation 49: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9912 cost/residue, 321 clashes 0.0488082 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 76 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 626 ## OptSubtree 519 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= -0.0645565 0.592199 0.0942398 0.797654 36.5466 -36.1759 -35.8381 # Removing break before 43 # jumping subtree containing (T0187)T145 jump= -0.779853 0.449959 -0.326465 0.287725 43.8952 18.7143 -61.7416 # jumping subtree containing (T0187)S126 jump= -0.213278 -0.728984 0.0488492 0.648621 -73.832 -84.7762 -60.818 # jumping subtree containing (T0187)S126 jump= 0.998244 -0.0411561 0.00448881 -0.0423687 -12.6619 -13.478 -21.1665 # jumping subtree containing (T0187)A44 jump= -0.0741938 0.577752 0.791288 0.185907 28.0848 8.17357 -118.158 # jumping subtree containing (T0187)A88 jump= -0.588273 -0.406194 0.696323 -0.0638429 -82.5268 -65.8509 -98.628 # jumping subtree containing (T0187)E113 jump= 0.385315 0.485783 -0.770292 0.148989 -110.611 -82.013 -107.899 # Removing break before 43 # generation 50: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9911 cost/residue, 321 clashes 0.0488082 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 76 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 647 ## OptSubtree 529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # jumping subtree containing (T0187)A88 jump= 0.806469 -0.528831 -0.115543 0.237899 -45.9236 82.0619 -84.8451 # jumping subtree containing (T0187)A88 jump= -0.177683 -0.183248 -0.76402 0.592555 31.4299 -106.133 -150.052 # jumping subtree containing (T0187)A147 jump= 0.392657 -0.790119 0.414525 -0.222937 15.6674 15.6482 -87.7406 # jumping subtree containing (T0187)S126 jump= 0.938211 0.254719 0.229909 0.0449427 35.5188 -7.21383 -15.3049 # generation 51: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9909 cost/residue, 321 clashes 0.0488083 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 6 ## CrossAndInsert 76 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 671 ## OptSubtree 538 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.994687 -0.0678822 0.0469629 0.0615238 3.60195 -1.83955 -27.2709 # jumping subtree containing (T0187)M1 jump= 0.129785 0.899444 0.400709 -0.116568 9.09667 -58.0874 -150.838 # jumping subtree containing (T0187)P24 jump= 0.99649 -0.041749 -0.0721513 -0.00773332 -23.8867 -14.5142 -16.3548 # jumping subtree containing (T0187)A88 jump= -0.431396 -0.632945 0.642467 0.0226775 -117.001 -120.536 -106.318 # jumping subtree containing (T0187)S126 jump= 0.252969 -0.937728 0.235266 -0.0363601 18.2344 -8.98191 -187.74 # jumping subtree containing (T0187)E113 jump= 0.923161 -0.337415 0.0420229 0.179332 -49.148 43.5437 -55.8518 # generation 52: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9907 cost/residue, 321 clashes 0.048808 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 76 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 684 ## OptSubtree 554 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 43 # jumping subtree containing (T0187)A88 jump= 0.854995 -0.407185 -0.135666 -0.291168 31.9325 65.5624 -29.9032 # jumping subtree containing (T0187)S126 jump= -0.563027 -0.339356 0.557924 -0.506517 -143.623 -141.291 -53.4044 # jumping subtree containing (T0187)E113 jump= -0.990847 -0.00356859 0.0174024 0.133816 27.6984 -13.8829 0.239783 # jumping subtree containing (T0187)S126 jump= 0.0817961 -0.505229 -0.636075 -0.577461 55.7721 46.3273 -95.0145 # generation 53: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9907 cost/residue, 321 clashes 0.048808 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 76 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 695 ## OptSubtree 572 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.41973 0.839384 -0.241843 0.246524 10.7199 -162.252 -123.254 # Removing break before 43 # jumping subtree containing (T0187)E113 jump= -0.778366 -0.162774 -0.603268 0.0609803 110.848 -48.6308 -159.604 # Removing break before 23 # jumping subtree containing (T0187)S126 jump= -0.992926 -0.0269928 -0.0957197 0.0648689 24.4104 -19.9805 -3.95821 # jumping subtree containing (T0187)A147 jump= 0.999483 0.0112427 -0.0295257 0.00591453 -13.7753 4.60095 25.4968 # Removing break before 112 # jumping subtree containing (T0187)L37 jump= 0.557711 -0.185052 0.788666 0.180886 18.7269 31.2877 -131.097 # generation 54: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9903 cost/residue, 321 clashes 0.0488084 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 69 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 76 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 698 ## OptSubtree 593 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.990913 -0.0730388 -0.103089 0.0461368 -32.6781 29.2947 -3.65467 # jumping subtree containing (T0187)A147 jump= 0.0682991 0.31322 -0.116019 -0.940089 -165.026 -58.5111 -25.0735 # jumping subtree containing (T0187)P24 jump= -0.998304 -0.0462578 -0.024293 0.025693 -4.30069 -0.937426 -5.25032 # jumping subtree containing (T0187)T145 jump= -0.671949 0.200684 0.051818 -0.711003 -134.782 26.4662 -54.1614 # Removing break before 43 # Removing break before 43 # generation 55: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9629 cost/residue, 340 clashes 0.0442674 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 70 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 76 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 704 ## OptSubtree 612 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 23 # generation 56: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.9628 cost/residue, 340 clashes 0.0442674 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 70 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 77 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 714 ## OptSubtree 632 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.342414 -0.316358 -0.311732 0.827945 -72.8526 -141.71 -84.8881 # Removing break before 112 # jumping subtree containing (T0187)T145 jump= -0.919499 -0.0530047 -0.363994 -0.138641 42.6542 -2.5658 -48.0662 # generation 57: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.8781 cost/residue, 321 clashes 0.086338 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 71 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 77 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 727 ## OptSubtree 651 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.882799 0.100111 0.396426 0.231279 72.1329 3.06186 -60.941 # jumping subtree containing (T0187)T145 jump= 0.322453 -0.264487 -0.336085 -0.844463 -34.4673 0.454659 18.9446 # jumping subtree containing (T0187)T145 jump= -0.990887 0.106465 0.015239 0.0810914 7.59881 -1.00779 -20.7991 # jumping subtree containing (T0187)A88 jump= 0.785498 0.212521 0.556173 0.168819 59.7679 2.50295 -87.2765 # jumping subtree containing (T0187)T145 jump= -0.94956 -0.0459458 0.294494 -0.0974583 -61.7591 -11.4956 -6.38228 # jumping subtree containing (T0187)A88 jump= -0.268145 0.242285 0.896506 0.256267 -124.248 80.0253 -180.496 # generation 58: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.8679 cost/residue, 336 clashes 0.0464752 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 72 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 739 ## OptSubtree 666 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.938402 0.130196 -0.0848911 -0.308617 -26.0132 -29.5155 -24.1965 # jumping subtree containing (T0187)E113 jump= 0.990056 0.0392833 -0.110471 -0.0777329 4.96916 -19.1802 16.1899 # jumping subtree containing (T0187)S126 jump= -0.554017 -0.685623 0.460192 0.105873 -146.099 -147.497 -150.322 # Removing break before 23 # generation 59: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.8259 cost/residue, 318 clashes 0.0860359 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 754 ## OptSubtree 682 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.866872 -0.0510649 -0.272331 -0.414441 36.9496 6.36339 1.27927 # jumping subtree containing (T0187)E113 jump= 0.992182 0.0655985 0.0377787 0.0992235 -11.5733 -18.0526 14.4735 # jumping subtree containing (T0187)T145 jump= 0.995523 0.0128361 0.083182 0.0430082 11.7638 7.04774 -16.7454 # jumping subtree containing (T0187)A88 jump= 0.713784 0.103686 0.550798 -0.419981 134.808 -105.744 -145.709 # jumping subtree containing (T0187)Y86 jump= 0.68196 -0.635221 0.0546514 -0.358381 47.1858 72.6568 -99.4884 # jumping subtree containing (T0187)A147 jump= 0.271895 0.286712 0.918594 -0.00734918 80.2082 -8.46873 -306.672 # Removing break before 112 # generation 60: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.8259 cost/residue, 318 clashes 0.0860359 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 771 ## OptSubtree 700 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L121 jump= -0.571047 -0.703281 -0.357223 0.227361 45.384 -216.692 -194.143 # jumping subtree containing (T0187)T145 jump= 0.104434 0.094169 -0.971386 0.191404 -55.578 -56.0651 -333.656 # Removing break before 43 # Removing break before 43 # jumping subtree containing (T0187)A147 jump= -0.513942 -0.835243 0.194666 0.0183884 -33.868 -201.719 -203.89 # jumping subtree containing (T0187)A88 jump= -0.033643 0.726306 0.0126895 0.686431 149.791 -82.5038 -177.287 # jumping subtree containing (T0187)A88 jump= -0.843679 0.33694 0.0554141 0.414253 48.431 77.6576 -69.495 # generation 61: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.8256 cost/residue, 318 clashes 0.086036 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 7 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 782 ## OptSubtree 718 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.788707 -0.492894 -0.0128537 -0.367194 93.7239 50.5759 -117.581 # jumping subtree containing (T0187)S137 jump= 0.232999 0.521809 0.0829074 0.816427 63.4631 -82.6334 -63.0013 # jumping subtree containing (T0187)K66 jump= -0.688143 0.614289 -0.384711 0.033249 90.8632 107.464 -197.381 # jumping subtree containing (T0187)A88 jump= -0.140848 -0.641025 0.306718 0.689327 -166.328 -47.9483 -140.77 # jumping subtree containing (T0187)A49 jump= -0.737553 0.500963 0.441036 0.102656 -41.1295 122.061 -171.971 # jumping subtree containing (T0187)A88 jump= 0.211491 0.232067 -0.837214 0.44776 -59.692 -150.824 -275.732 # generation 62: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.8255 cost/residue, 318 clashes 0.0860359 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 8 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 789 ## OptSubtree 735 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A44 jump= 0.673112 -0.459583 0.559556 0.150336 63.1255 82.639 -215.697 # jumping subtree containing (T0187)A147 jump= 0.165173 0.909173 -0.238756 -0.298525 -120.46 -87.624 -304.162 # Removing break before 23 # jumping subtree containing (T0187)S126 jump= -0.771256 0.078575 0.628028 -0.067608 -182.212 11.0893 -98.0475 # jumping subtree containing (T0187)E113 jump= 0.925276 -0.178755 0.307426 0.131913 95.2107 74.6778 -80.1934 # jumping subtree containing (T0187)A147 jump= -0.0745833 -0.0711671 0.197262 0.974915 -2.0833 -25.4921 22.4378 # Removing break before 43 # generation 63: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6488 cost/residue, 305 clashes 0.0799132 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 9 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 794 ## OptSubtree 752 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= -0.568831 0.51424 -0.641864 0.000528848 24.3437 15.4108 -268.208 # jumping subtree containing (T0187)A88 jump= -0.270491 0.464703 -0.183376 0.822958 46.4689 -85.171 -68.2231 # jumping subtree containing (T0187)M1 jump= -0.990002 -0.00594716 0.0897977 -0.108611 -31.2778 19.0047 3.41206 # jumping subtree containing (T0187)A88 jump= 0.313791 0.223111 0.459018 0.800662 71.8814 46.0632 -58.8917 # jumping subtree containing (T0187)E113 jump= 0.73287 0.164376 0.6602 -0.00425582 146.591 -42.833 -198.881 # jumping subtree containing (T0187)E113 jump= -0.893211 0.442544 -0.0599876 -0.0522524 -17.286 100.377 -87.0831 # jumping subtree containing (T0187)S126 jump= -0.238004 0.596531 0.266351 0.718723 161.249 57.6906 -139.418 # generation 64: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6488 cost/residue, 305 clashes 0.0799132 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 9 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 802 ## OptSubtree 771 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.592808 0.415839 -0.495708 0.47951 -108.111 -228.457 -134.171 # jumping subtree containing (T0187)A49 jump= 0.896145 -0.130102 0.202375 0.372883 15.4965 64.9888 -13.6949 # jumping subtree containing (T0187)A147 jump= -0.883688 -0.424913 0.0303651 -0.193964 -0.399261 -133.682 12.3517 # jumping subtree containing (T0187)P24 jump= 0.102985 0.260359 -0.41422 -0.866042 -143.699 -18.1205 -23.7616 # jumping subtree containing (T0187)A147 jump= -0.579767 0.397891 0.645953 -0.297151 -179.899 -2.62614 -247.611 # jumping subtree containing (T0187)P24 jump= 0.866862 0.211346 -0.44276 0.0885786 -132.804 -72.1044 -39.7805 # Removing break before 112 # generation 65: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6488 cost/residue, 305 clashes 0.0799132 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 9 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 821 ## OptSubtree 785 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.910813 -0.264599 0.316857 0.00296793 51.6431 60.2164 -113.049 # jumping subtree containing (T0187)T145 jump= 0.290202 -0.24361 -0.223559 0.89803 -152.729 -115.064 -43.8067 # jumping subtree containing (T0187)A147 jump= -0.827797 0.375362 -0.154217 -0.387392 -57.1696 102.113 -110.447 # jumping subtree containing (T0187)L107 jump= 0.404865 -0.474211 0.72638 -0.289105 54.8754 -83.507 -290.081 # jumping subtree containing (T0187)A147 jump= -0.545441 -0.672691 0.355752 0.351314 -133.182 -164.616 -75.5379 # jumping subtree containing (T0187)Y57 jump= 0.69656 -0.258446 -0.648772 -0.164638 -115.919 92.8739 -152.962 # generation 66: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6488 cost/residue, 305 clashes 0.0799132 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 9 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 825 ## OptSubtree 805 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.544572 0.0231792 0.643564 0.537335 -100.174 81.8477 -71.844 # jumping subtree containing (T0187)L107 jump= -0.174442 0.955578 0.200035 0.128169 58.7014 -20.4825 -319.284 # jumping subtree containing (T0187)T145 jump= 0.19496 0.434418 0.878757 -0.0325301 35.871 -37.1597 -308.792 # jumping subtree containing (T0187)L107 jump= 0.352488 -0.888427 0.199131 -0.216326 64.775 36.4308 -310.209 # jumping subtree containing (T0187)T145 jump= 0.143551 -0.0866941 0.310422 -0.93569 -3.0465 -157.859 -40.2991 # jumping subtree containing (T0187)L107 jump= 0.942862 -0.113975 -0.194384 -0.24543 -47.4953 17.7231 -23.9547 # jumping subtree containing (T0187)V136 jump= 0.227181 -0.078587 -0.702959 -0.669374 -109.331 85.566 -104.334 # jumping subtree containing (T0187)S126 jump= 0.8013 -0.399625 0.337366 -0.290521 130.011 5.65752 -121.09 # jumping subtree containing (T0187)S126 jump= 0.834673 -0.349972 -0.389839 0.169901 -127.473 98.3691 -101.092 # generation 67: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6487 cost/residue, 305 clashes 0.0799132 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 9 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 832 ## OptSubtree 822 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.101047 0.329935 0.8698 -0.352676 -17.9219 -132.219 -316.839 # jumping subtree containing (T0187)T145 jump= -0.106205 0.245115 0.812809 -0.517669 -135.387 -131.146 -266.412 # jumping subtree containing (T0187)T97 jump= 0.939117 0.302152 0.0168801 -0.162723 -2.66818 -110.2 -11.0544 # Removing break before 87 # jumping subtree containing (T0187)L107 jump= -0.719517 0.164578 0.0489242 -0.672916 -101.048 10.2302 -33.9075 # jumping subtree containing (T0187)A147 jump= -0.0482833 0.484879 0.779874 -0.392884 -69.6536 -103.261 -338.947 # jumping subtree containing (T0187)I64 jump= -0.266583 -0.411411 -0.868426 0.0742385 96.7603 -78.2424 -287.396 # jumping subtree containing (T0187)A49 jump= -0.72642 -0.487129 0.310606 0.372215 -128.05 -148.352 -44.3913 # generation 68: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6485 cost/residue, 305 clashes 0.0799133 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 10 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 844 ## OptSubtree 833 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D38 jump= 0.361446 0.479616 -0.476853 -0.641823 -168.451 -26.9166 -105.44 # jumping subtree containing (T0187)M1 jump= 0.300454 -0.845857 0.344981 0.274302 -83.3416 -0.991183 -291.813 # jumping subtree containing (T0187)P24 jump= 0.629601 0.454499 -0.509132 -0.371238 -196.06 -105.125 -103.522 # jumping subtree containing (T0187)T145 jump= -0.543603 -0.304294 0.164227 -0.764807 -28.5276 -165.014 -15.8802 # jumping subtree containing (T0187)A88 jump= -0.417601 0.880681 0.182032 -0.129901 -67.7245 51.9513 -283.86 # jumping subtree containing (T0187)T145 jump= 0.499284 0.323052 -0.0464696 -0.802617 -92.6497 -150.781 -25.5732 # jumping subtree containing (T0187)A147 jump= 0.883262 0.389039 -0.162905 0.204838 -24.6142 -130.487 -27.6731 # jumping subtree containing (T0187)P24 jump= 0.0201822 -0.447993 0.755445 -0.4777 -5.91694 -163.987 -296.535 # jumping subtree containing (T0187)L107 jump= -0.485442 -0.167651 0.00637302 0.85802 -66.41 -93.9752 -30.7483 # jumping subtree containing (T0187)L107 jump= 0.481878 0.186383 0.851581 -0.0886899 100.775 -46.4943 -285.047 # jumping subtree containing (T0187)P24 jump= 0.999956 0.00252662 0.00727973 0.00535381 0.896511 23.2552 -10.7653 # jumping subtree containing (T0187)S122 jump= 0.943904 -0.0739636 -0.319578 -0.0380061 -128.073 29.921 -24.6914 # Removing break before 23 # jumping subtree containing (T0187)A147 jump= -0.612156 0.0753957 0.319553 -0.719351 -165.291 -78.812 -61.7581 # generation 69: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6485 cost/residue, 305 clashes 0.0799133 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 11 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 849 ## OptSubtree 851 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= -0.36969 -0.20829 0.901092 -0.0893151 -162.647 -42.4957 -256.972 # jumping subtree containing (T0187)L107 jump= -0.896509 0.24623 -0.0332658 0.36679 76.3683 40.6527 -41.6157 # jumping subtree containing (T0187)A49 jump= -0.6453 -0.128838 -0.736037 -0.158867 146.839 40.2706 -175.324 # jumping subtree containing (T0187)Y57 jump= 0.525982 -0.557574 0.266185 -0.584465 135.395 -51.0965 -183.299 # jumping subtree containing (T0187)L107 jump= -0.660803 0.463276 -0.304598 0.5059 145.583 -5.97984 -136.587 # jumping subtree containing (T0187)Y57 jump= -0.243866 -0.904938 -0.335339 -0.09573 82.0466 -140.353 -299.34 # generation 70: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6485 cost/residue, 305 clashes 0.0799133 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 11 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 852 ## OptSubtree 872 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y57 jump= -0.21171 -0.741464 -0.143291 0.620384 -141.65 -205.721 -190.649 # jumping subtree containing (T0187)S126 jump= -0.184874 -0.767145 -0.0594818 0.611369 -140.329 -141.919 -211.232 # jumping subtree containing (T0187)L107 jump= 0.894299 0.18581 -0.376502 0.154758 -142.825 -70.1904 -38.8257 # jumping subtree containing (T0187)Y57 jump= -0.973471 -0.158936 0.131636 0.0988176 -34.3826 -50.9062 14.7615 # jumping subtree containing (T0187)P24 jump= 0.986333 -0.00450344 -0.0456289 0.158256 -54.9231 6.40518 8.88232 # jumping subtree containing (T0187)L107 jump= -0.595221 0.199376 0.170399 -0.759556 -137.255 -84.413 -53.6862 # jumping subtree containing (T0187)E113 jump= -0.803436 -0.226876 0.482125 -0.265657 -140.916 -98.6037 -63.252 # jumping subtree containing (T0187)D38 jump= 0.673618 0.592978 -0.168622 -0.407654 -84.614 -184.404 -72.0701 # jumping subtree containing (T0187)T145 jump= -0.427486 0.403003 -0.237776 0.773503 105.172 -108.829 -73.7694 # generation 71: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6485 cost/residue, 305 clashes 0.0799133 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 11 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 853 ## OptSubtree 895 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E113 jump= 0.796702 -0.458812 0.184224 0.347591 -32.3567 93.7207 -119.891 # jumping subtree containing (T0187)A88 jump= 0.0421316 -0.387185 -0.364665 -0.845773 99.5817 5.25244 -43.8345 # jumping subtree containing (T0187)P24 jump= -0.73999 -0.263942 0.361737 -0.501893 -118.986 -159.063 -63.6197 # jumping subtree containing (T0187)P24 jump= 0.911115 0.309005 -0.0968 0.254982 -20.2795 -112.958 17.3122 # jumping subtree containing (T0187)P24 jump= -0.992389 -0.0922437 -0.0363818 -0.073019 3.59916 -15.588 5.48445 # jumping subtree containing (T0187)P24 jump= 0.937532 0.147925 -0.171975 0.263776 -103.225 -57.6285 2.85979 # jumping subtree containing (T0187)L107 jump= -0.81541 -0.267804 -0.112668 0.500693 5.45654 -135.668 -1.90934 # jumping subtree containing (T0187)A147 jump= -0.50347 -0.823755 0.198946 0.168423 -93.9238 -223.16 -200.572 # generation 72: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6485 cost/residue, 305 clashes 0.0799134 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 11 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 858 ## OptSubtree 914 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.343041 -0.161313 -0.904347 0.196103 72.8509 -79.0996 -307.576 # jumping subtree containing (T0187)L107 jump= 0.587052 -0.0789976 -0.742748 0.312177 -179.312 -80.88 -193.688 # jumping subtree containing (T0187)T145 jump= 0.59942 0.54663 -0.533355 0.239632 -102.577 -190.189 -161.32 # jumping subtree containing (T0187)I85 jump= -0.997456 -0.0279909 -0.0411767 -0.0510117 16.3742 -32.4395 -4.11913 # jumping subtree containing (T0187)L107 jump= -0.597487 -0.580538 0.478779 0.277049 -165.166 -146.53 -97.3382 # jumping subtree containing (T0187)L107 jump= 0.784648 -0.210707 -0.390861 0.432618 -140.266 -29.1989 -88.7472 # jumping subtree containing (T0187)A147 jump= 0.312217 -0.541784 -0.429161 -0.651775 132.473 66.581 -126.221 # jumping subtree containing (T0187)P24 jump= 0.481372 -0.0977784 0.446623 -0.747829 103.529 -185.629 -136.008 # jumping subtree containing (T0187)P24 jump= 0.801975 0.0722497 -0.0950655 0.585302 -72.3529 -47.8994 6.99525 # jumping subtree containing (T0187)L107 jump= -0.561983 0.373154 0.736951 -0.0428236 -114.04 38.065 -226.174 # jumping subtree containing (T0187)P24 jump= 0.933361 0.0358827 0.346721 -0.0856442 113.903 -0.834436 -61.6607 # jumping subtree containing (T0187)L107 jump= 0.99968 -0.0224027 -0.0110627 0.00392031 -27.8359 -5.43666 -14.166 # generation 73: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6485 cost/residue, 305 clashes 0.0799134 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 12 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 865 ## OptSubtree 930 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.203131 -0.421624 0.342112 0.814819 -151.355 -35.7951 -53.6188 # jumping subtree containing (T0187)A49 jump= 0.38498 0.631161 0.503343 0.447294 171.145 -37.4157 -147.233 # jumping subtree containing (T0187)P24 jump= -0.938335 -0.016369 0.0369819 0.343353 22.7703 -13.5741 -17.9005 # jumping subtree containing (T0187)S126 jump= 0.0140192 -0.791246 -0.147969 0.59316 -194.58 -177.258 -291.337 # jumping subtree containing (T0187)L107 jump= -0.355294 -0.407525 0.711657 -0.44859 -56.0029 -195.134 -222.654 # jumping subtree containing (T0187)S126 jump= 0.823986 -0.0550153 0.403782 0.393676 39.6378 46.2319 -71.9816 # jumping subtree containing (T0187)L107 jump= -0.55163 -0.770722 -0.178375 0.264339 -10.3426 -210.362 -187.17 # jumping subtree containing (T0187)P24 jump= -0.990568 -0.0458818 -0.1171 -0.0543867 38.3553 -18.1444 -20.7411 # jumping subtree containing (T0187)Y57 jump= -0.993896 0.0251528 -0.0451312 -0.0974709 20.0022 1.2738 15.5328 # jumping subtree containing (T0187)L107 jump= 0.769029 0.605711 0.14607 0.14273 72.4621 -164.175 -66.3749 # jumping subtree containing (T0187)P24 jump= -0.24062 -0.0121703 -0.820918 -0.517734 -13.1886 138.765 -201.48 # generation 74: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.6485 cost/residue, 305 clashes 0.0799134 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 74 ## TwoFragment 16 ## CrossOver 13 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 874 ## OptSubtree 944 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.120726 -0.532419 -0.797377 0.257188 -62.7433 -59.1856 -317.902 # jumping subtree containing (T0187)P24 jump= -0.160054 0.472687 0.456678 -0.736475 -150.202 -109.452 -148.734 # jumping subtree containing (T0187)K29 jump= 0.196206 -0.249261 0.833999 0.451461 -61.7344 112.174 -277.754 # jumping subtree containing (T0187)N96 jump= 0.519748 0.656423 0.544638 0.048378 142.647 -165.413 -166.144 # jumping subtree containing (T0187)L107 jump= -0.677639 -0.344738 -0.0771211 -0.644991 41.9285 -117.646 11.9301 # generation 75: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.5097 cost/residue, 338 clashes 0.107105 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 13 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 874 ## OptSubtree 967 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= -0.433906 -0.456076 -0.693059 -0.351269 158.231 7.43795 -181.668 # jumping subtree containing (T0187)L107 jump= 0.1884 0.621818 0.540266 0.534753 119.928 -7.06194 -136.854 # generation 76: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.5097 cost/residue, 338 clashes 0.107105 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 14 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 880 ## OptSubtree 984 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E113 jump= 0.999931 0.0096834 0.00279215 -0.00608152 -7.04876 1.8685 28.0243 # jumping subtree containing (T0187)I85 jump= -0.0633625 0.0959707 0.719219 0.6852 -4.82359 110.782 -87.838 # jumping subtree containing (T0187)I85 jump= -0.0343345 -0.228334 0.341964 -0.910904 -2.46277 -236.068 -94.6367 # jumping subtree containing (T0187)A49 jump= -0.634858 -0.15855 0.117343 0.747026 -25.0084 -96.058 24.9415 # jumping subtree containing (T0187)I85 jump= -0.591328 -0.771993 0.145692 0.182023 -64.7454 -234.846 -148.765 # jumping subtree containing (T0187)T145 jump= 0.944191 -0.0185435 -0.15291 0.291165 -98.8612 -14.0741 -2.07106 # jumping subtree containing (T0187)L107 jump= 0.691003 0.703114 -0.166421 -0.0211929 -39.1787 -236.496 -122.522 # generation 77: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3631 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 15 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 15 ## JiggleSubtree 894 ## OptSubtree 1003 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.0978587 0.140113 0.135292 0.975955 28.2756 -74.2602 -4.30343 # jumping subtree containing (T0187)I85 jump= 0.319911 -0.648309 -0.574098 -0.3844 67.8224 44.5201 -197.3 # jumping subtree containing (T0187)M1 jump= 0.993403 -0.0322833 -0.0757707 0.0797899 -29.046 -4.97568 -21.7962 # jumping subtree containing (T0187)E113 jump= 0.649389 -0.407298 0.535603 -0.354305 116.633 -36.9238 -239.525 # jumping subtree containing (T0187)I85 jump= -0.589074 0.486663 -0.044014 0.643595 159.467 -23.5184 -97.2843 # jumping subtree containing (T0187)K29 jump= -0.760531 0.071129 0.0922107 0.638773 33.6199 -47.2496 16.3548 # jumping subtree containing (T0187)K29 jump= 0.918468 -0.391089 -0.0513063 0.0288623 -28.7713 110.81 -82.9024 # jumping subtree containing (T0187)P24 jump= -0.399395 0.730795 -0.420249 -0.360294 -114.613 73.9726 -289.862 # jumping subtree containing (T0187)K29 jump= 0.999049 0.0220794 -0.0320351 -0.019699 -21.4388 -0.696243 4.59728 # jumping subtree containing (T0187)K29 jump= 0.673765 0.636622 -0.37452 0.0220834 -102.8 -190.892 -142.748 # jumping subtree containing (T0187)A56 jump= -0.826681 0.489998 -0.196062 -0.195091 -4.13235 117.198 -173.526 # generation 78: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3621 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 16 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 908 ## OptSubtree 1015 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.997574 0.025571 -0.0174762 -0.0623382 -1.21489 32.0775 -20.6042 # jumping subtree containing (T0187)I85 jump= 0.0374429 0.163793 0.845483 0.506881 50.8642 122.975 -182.247 # jumping subtree containing (T0187)L107 jump= 0.385618 -0.72068 0.537805 -0.206604 68.4277 -35.0142 -344.913 # jumping subtree containing (T0187)M1 jump= 0.406991 0.171647 0.388403 -0.808727 22.3169 -266.904 -146.384 # jumping subtree containing (T0187)I85 jump= 0.0792627 0.140131 0.826269 0.539779 9.27242 88.457 -182.684 # generation 79: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.362 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 16 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 929 ## OptSubtree 1031 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.0623538 0.350678 0.934225 -0.0190152 17.6599 -30.2793 -367.751 # jumping subtree containing (T0187)I85 jump= 0.929705 -0.063688 0.120929 0.342006 -23.8567 43.5055 -22.7799 # jumping subtree containing (T0187)T145 jump= 0.195645 0.69377 0.527173 -0.449995 -46.723 -198.333 -317.011 # jumping subtree containing (T0187)K29 jump= 0.981578 -0.0288599 -0.133702 0.133397 -75.6434 22.0393 14.729 # jumping subtree containing (T0187)A147 jump= -0.512074 0.163714 -0.146929 -0.830295 -150.326 16.5476 -14.2709 # jumping subtree containing (T0187)A147 jump= -0.907092 0.0342442 0.364105 0.208421 -109.443 26.0464 3.58047 # jumping subtree containing (T0187)L107 jump= 0.708067 -0.107489 -0.69425 -0.0714398 -185.924 42.7489 -125.839 # jumping subtree containing (T0187)A147 jump= 0.895631 0.429154 -0.0922903 -0.0718022 -39.866 -158.238 -17.7803 # jumping subtree containing (T0187)A147 jump= 0.549315 0.256624 -0.0776492 -0.791434 -32.1023 -129.107 -3.31799 # jumping subtree containing (T0187)A49 jump= 0.848573 -0.260266 -0.0811805 -0.453426 39.1715 58.4807 -25.1731 # jumping subtree containing (T0187)I85 jump= -0.988489 0.0114784 -0.0389153 -0.145749 -10.3047 2.45337 -28.0166 # jumping subtree containing (T0187)D38 jump= -0.837814 -0.437414 0.127035 -0.300996 -58.5218 -163.167 -21.384 # jumping subtree containing (T0187)I85 jump= 0.644859 0.493534 -0.299465 -0.500901 -129.417 -151.079 -52.137 # generation 80: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.362 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 16 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 936 ## OptSubtree 1050 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V70 jump= -0.966131 -0.117426 0.229376 -0.0137572 -63.7115 -50.0359 9.50857 # jumping subtree containing (T0187)G135 jump= -0.670985 0.10416 -0.0771723 0.730051 136.489 -81.0748 -30.7697 # jumping subtree containing (T0187)A88 jump= 0.608791 -0.613094 0.428058 0.265059 -6.15713 109.407 -253.375 # jumping subtree containing (T0187)A147 jump= -0.67459 -0.334904 0.396667 0.524808 -185.45 -99.8481 -29.829 # generation 81: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3617 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 17 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 942 ## OptSubtree 1067 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.99094 0.0134729 -0.110571 -0.0750331 -22.2491 -2.79044 30.1586 # jumping subtree containing (T0187)M1 jump= -0.86282 0.26578 -0.429975 -0.00488643 130.785 95.4589 -146.18 # jumping subtree containing (T0187)I85 jump= -0.962368 -0.0208936 -0.233914 -0.136732 50.6913 0.195684 -23.4557 # jumping subtree containing (T0187)Y57 jump= 0.632018 0.375891 -0.641936 0.217205 -145.292 -166.054 -145.726 # jumping subtree containing (T0187)L107 jump= 0.314437 -0.295628 0.846396 0.312006 -16.3914 79.158 -276.543 # jumping subtree containing (T0187)Y57 jump= 0.887423 0.14317 0.0590574 -0.434159 35.7665 -125.421 -15.7166 # jumping subtree containing (T0187)T145 jump= -0.882279 -0.243671 0.341629 0.213305 -122.05 -90.4181 -21.3111 # jumping subtree containing (T0187)I85 jump= 0.0365276 -0.814171 0.344183 0.466187 -145.93 -79.2357 -245.861 # jumping subtree containing (T0187)S126 jump= 0.815021 0.336244 -0.382384 -0.27652 -156.287 -121.614 -26.7469 # jumping subtree containing (T0187)E113 jump= 0.250596 0.782637 0.0541694 -0.567227 -149.403 -201.407 -200.879 # jumping subtree containing (T0187)I85 jump= 0.886659 0.160281 0.332613 -0.278414 148.773 -112.43 -75.1262 # jumping subtree containing (T0187)Y57 jump= -0.26972 0.925937 -0.0135009 0.264024 77.7747 -46.3926 -301.177 # jumping subtree containing (T0187)A147 jump= 0.839179 0.119347 0.179888 -0.499174 88.0075 -100.323 1.26068 # generation 82: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3616 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 20 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 946 ## OptSubtree 1084 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y57 jump= 0.0991017 0.195836 0.865943 0.449411 16.5709 99.0481 -228.109 # jumping subtree containing (T0187)M1 jump= -0.726348 -0.322756 0.123821 0.594066 -76.5168 -158.21 -32.6022 # jumping subtree containing (T0187)T145 jump= 0.573333 -0.368507 0.506525 -0.528133 199.644 -90.0821 -227.049 # jumping subtree containing (T0187)I85 jump= -0.996226 0.0464791 0.0592608 0.0431405 -19.7508 26.1569 -19.5714 # jumping subtree containing (T0187)E106 jump= -0.979305 -0.0539204 0.194975 0.00626425 -58.0711 -8.07738 0.999199 # jumping subtree containing (T0187)I85 jump= -0.71005 0.0525448 0.59784 -0.368315 -175.199 -61.6173 -154.326 # jumping subtree containing (T0187)I85 jump= 0.55574 -0.68487 0.260383 -0.39282 111.801 0.440103 -230.914 # generation 83: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3616 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 22 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 948 ## OptSubtree 1104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.887898 0.0023081 -0.416945 0.194395 -166.47 -16.9293 -42.3152 # jumping subtree containing (T0187)E113 jump= -0.985308 -0.0518326 -0.0161309 -0.161929 -23.9409 -39.7656 -4.9094 # jumping subtree containing (T0187)D38 jump= -0.744716 -0.0523387 0.319462 0.583612 -55.8837 -16.1916 -25.5386 # jumping subtree containing (T0187)D38 jump= -0.794781 0.475766 -0.375082 0.0358086 72.7547 69.7688 -195.873 # jumping subtree containing (T0187)D38 jump= 0.740266 -0.468798 -0.399745 0.269145 -147.033 69.9784 -154.954 # jumping subtree containing (T0187)I85 jump= -0.975011 -0.133786 -0.0642081 0.165327 34.9783 -79.253 -3.18592 # jumping subtree containing (T0187)D38 jump= 0.013772 -0.49859 -0.816782 -0.289976 56.6863 53.3823 -257.485 # jumping subtree containing (T0187)K29 jump= 0.809895 0.348091 -0.380049 0.280116 -106.731 -164.024 -83.8425 # jumping subtree containing (T0187)I85 jump= 0.63291 -0.0150563 0.541182 -0.553462 133.565 -188.422 -175.677 # jumping subtree containing (T0187)I85 jump= 0.358803 0.0383277 -0.556839 -0.748146 -149.505 98.3364 -71.7095 # jumping subtree containing (T0187)S126 jump= 0.398498 -0.298917 0.867067 -0.00657768 33.8215 27.7943 -422.422 # jumping subtree containing (T0187)S126 jump= -0.976176 0.0531418 0.055058 -0.20304 -46.9059 38.7596 8.31096 # jumping subtree containing (T0187)L107 jump= -0.985051 0.151987 -0.0789903 -0.0182988 6.8596 29.2916 -26.9037 # jumping subtree containing (T0187)P24 jump= 0.473301 0.690549 -0.110486 0.535651 84.2635 -239.863 -147.514 # generation 84: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3605 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 24 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 952 ## OptSubtree 1122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.23717 -0.395923 0.35843 -0.811494 -19.5104 -279.4 -88.761 # jumping subtree containing (T0187)L107 jump= 0.755109 0.111406 -0.050359 0.644099 -93.8777 -87.4987 10.8293 # jumping subtree containing (T0187)S126 jump= 0.229017 0.69384 -0.487989 -0.477497 -200.022 -49.3205 -199.406 # jumping subtree containing (T0187)I85 jump= 0.999867 -0.0125941 -0.00236367 -0.0100766 -15.7536 -1.67362 -19.6768 # jumping subtree containing (T0187)P24 jump= 0.463584 -0.507376 0.677103 -0.263043 141.508 -31.2248 -317.945 # jumping subtree containing (T0187)S126 jump= 0.242027 -0.577364 -0.404288 -0.666803 113.183 95.909 -130.016 # jumping subtree containing (T0187)I85 jump= 0.983796 -0.159288 0.0796573 -0.0206791 9.77729 61.2829 -35.1014 # jumping subtree containing (T0187)A49 jump= 0.366005 0.120754 -0.479566 0.788337 -155.199 -230.502 -122.528 # generation 85: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3605 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 26 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 958 ## OptSubtree 1138 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S137 jump= -0.782879 0.0222755 0.0715232 -0.617647 -155.331 17.6092 11.2592 # jumping subtree containing (T0187)P24 jump= -0.8393 0.0960667 0.455112 0.28146 -135.232 40.9015 -20.5465 # jumping subtree containing (T0187)D38 jump= -0.901822 0.0961129 -0.100553 0.409107 55.9356 -15.9135 -4.97933 # jumping subtree containing (T0187)L107 jump= -0.684636 0.520587 0.447579 -0.244819 -203.561 63.5684 -273.226 # jumping subtree containing (T0187)S126 jump= -0.295032 -0.743288 -0.343862 0.492177 -72.1126 -252.745 -340.608 # jumping subtree containing (T0187)I85 jump= 0.710495 -0.689864 0.00415936 0.138805 -39.5744 146.525 -261.167 # jumping subtree containing (T0187)I85 jump= -0.663769 0.354918 -0.654334 -0.0727367 131.512 108.195 -354.533 # generation 86: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3605 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 27 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 965 ## OptSubtree 1154 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= -0.196358 0.96549 -0.0670544 -0.157403 -76.6637 -8.82942 -509.881 # jumping subtree containing (T0187)D38 jump= -0.868284 0.0882837 -0.366581 -0.322347 74.033 60.6074 -61.7994 # jumping subtree containing (T0187)T145 jump= 0.588143 0.700347 0.0329027 0.403137 64.1114 -232.881 -129.217 # jumping subtree containing (T0187)I85 jump= 0.900038 -0.387893 0.115858 -0.161395 84.3191 86.7109 -141.235 # jumping subtree containing (T0187)I85 jump= 0.969881 -0.158914 -0.118586 -0.141472 -20.3587 54.4863 -29.8351 # jumping subtree containing (T0187)I85 jump= 0.262448 0.54258 0.296204 -0.740939 -121.314 -245.026 -203.525 # jumping subtree containing (T0187)S126 jump= 0.664839 -0.0375845 0.724615 -0.177508 191.207 -56.6428 -310.786 # jumping subtree containing (T0187)S126 jump= -0.578597 0.269429 -0.124112 -0.759756 -168.491 58.507 -80.8424 # jumping subtree containing (T0187)S126 jump= 0.999222 0.0339643 0.0174437 0.00987502 26.2055 -11.7926 17.0696 # generation 87: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3605 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 28 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 966 ## OptSubtree 1176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.71932 -0.421605 -0.510557 0.210142 -207.515 75.9023 -199.907 # jumping subtree containing (T0187)I85 jump= -0.680431 0.368231 0.222875 -0.593082 -221.056 31.3424 -122.437 # jumping subtree containing (T0187)P24 jump= -0.919951 -0.0924997 0.36805 0.0983556 -150.623 -16.1653 -15.3579 # jumping subtree containing (T0187)M1 jump= 0.9207 -0.217632 -0.323952 -0.00191872 -134.566 66.0424 -41.142 # jumping subtree containing (T0187)S126 jump= 0.599356 0.630596 0.486557 0.079899 183.953 -171.546 -234.739 # jumping subtree containing (T0187)I85 jump= -0.0782792 -0.00473142 0.911829 -0.40301 -135.204 -196.418 -430.375 # jumping subtree containing (T0187)K29 jump= 0.920229 -0.213674 0.197884 -0.261465 115.896 0.0912743 -83.1502 # generation 88: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3605 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 28 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 976 ## OptSubtree 1190 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= -0.278954 0.579071 -0.757977 -0.11105 -53.5145 30.8396 -492.864 # jumping subtree containing (T0187)L107 jump= 0.00553585 -0.169578 -0.581703 -0.795509 13.3839 107.972 -73.3991 # jumping subtree containing (T0187)S126 jump= -0.0744796 -0.29371 0.335745 -0.891887 14.8073 -242.505 -89.2486 # jumping subtree containing (T0187)A49 jump= 0.946653 0.0404044 -0.14704 -0.283894 -79.0381 -39.4294 2.30264 # jumping subtree containing (T0187)S126 jump= -0.674368 0.0268533 0.704272 -0.220244 -274.398 -44.3857 -181.961 # jumping subtree containing (T0187)I85 jump= -0.75007 0.00884349 0.0888803 0.6553 -49.0737 -61.1876 25.4578 # jumping subtree containing (T0187)I85 jump= 0.967404 -0.201017 0.0641198 0.140037 -6.79692 123.966 -72.9206 # jumping subtree containing (T0187)I85 jump= 0.922474 0.154137 -0.228039 0.270707 -138.285 -87.5044 -3.62304 # generation 89: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3605 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 28 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 982 ## OptSubtree 1208 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D38 jump= 0.828792 -0.129733 0.489733 -0.23756 202.424 -48.7582 -179.303 # jumping subtree containing (T0187)A88 jump= -0.409705 -0.839422 0.279567 -0.222159 -0.690148 -280.317 -318.193 # jumping subtree containing (T0187)I85 jump= -0.664983 -0.567565 -0.322254 0.36307 -2.48297 -282.084 -241.299 # jumping subtree containing (T0187)I85 jump= 0.765887 -0.363908 -0.502815 -0.167824 -141.749 167.262 -151.294 # jumping subtree containing (T0187)I85 jump= -0.522564 0.504991 0.145256 0.671425 104.794 73.4911 -108.029 # jumping subtree containing (T0187)L107 jump= -0.908904 0.0946154 0.319917 0.25019 -100.026 46.9847 4.6544 # jumping subtree containing (T0187)I85 jump= 0.684157 -0.405775 0.555274 -0.242789 145.369 12.307 -267.128 # jumping subtree containing (T0187)E106 jump= -0.967433 -0.0671635 -0.232344 -0.0746962 123.867 -33.8377 -24.0049 # jumping subtree containing (T0187)L107 jump= 0.434312 0.209358 0.834997 0.265184 127.619 79.7366 -358.618 # jumping subtree containing (T0187)I85 jump= -0.202143 -0.367065 -0.694111 -0.58533 114.258 110.618 -191.241 # generation 90: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3605 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 28 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 987 ## OptSubtree 1227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= -0.433766 0.817318 0.36903 -0.0874902 -100.212 127.034 -414.87 # jumping subtree containing (T0187)K29 jump= 0.903972 -0.210543 0.0733037 0.364874 -43.7338 126.015 -63.5149 # jumping subtree containing (T0187)E95 jump= 0.378455 0.309802 0.676781 -0.550238 -31.113 -260.066 -344.896 # jumping subtree containing (T0187)A88 jump= -0.695552 0.0507405 -0.317785 -0.642375 -28.7682 149.904 -83.0684 # jumping subtree containing (T0187)I85 jump= -0.650297 -0.0478829 -0.0477352 -0.756665 -99.9056 -1.21181 7.51089 # jumping subtree containing (T0187)I85 jump= -0.709312 -0.157276 0.606883 0.322231 -263.671 -12.6803 -107.161 # jumping subtree containing (T0187)L107 jump= 0.978415 0.0493476 0.199834 0.0183013 112.069 -7.48143 -49.9829 # jumping subtree containing (T0187)M1 jump= 0.996131 -0.0868783 -0.00646898 0.0115482 12.4961 45.4766 3.61996 # generation 91: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3604 cost/residue, 319 clashes 0.107121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 75 ## TwoFragment 16 ## CrossOver 31 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 991 ## OptSubtree 1244 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.9876 -0.129636 0.0340592 0.0817326 13.276 51.9528 -49.5183 # jumping subtree containing (T0187)D38 jump= 0.88768 0.375868 0.149788 0.219798 104.195 -133.832 -51.1828 # jumping subtree containing (T0187)I85 jump= 0.326525 0.357535 -0.781189 0.394073 -198.248 -261.698 -345.854 # jumping subtree containing (T0187)D38 jump= 0.730797 0.255512 -0.428735 0.465657 -203.644 -221.889 -61.5153 # jumping subtree containing (T0187)A49 jump= 0.85081 -0.156102 -0.501347 0.0201461 -226.11 75.7781 -111.368 # jumping subtree containing (T0187)D38 jump= -0.981517 0.0358598 -0.164455 -0.0910714 83.0727 30.3514 -14.9435 # jumping subtree containing (T0187)E113 jump= -0.776809 -0.249618 0.545989 -0.190145 -243.744 -160.78 -88.7008 # generation 92: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3599 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 32 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 998 ## OptSubtree 1259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.618636 0.0845884 0.699097 -0.348421 131.812 -172.164 -280.266 # jumping subtree containing (T0187)D38 jump= 0.762463 -0.117228 0.0631935 -0.633178 70.3436 -85.1197 -36.4902 # jumping subtree containing (T0187)L107 jump= 0.934574 0.314757 -0.0697224 -0.150457 -60.5162 -160.167 -14.0848 # jumping subtree containing (T0187)D38 jump= 0.726184 -0.450156 -0.496662 0.152785 -230.972 149.407 -213.873 # jumping subtree containing (T0187)K29 jump= -0.597374 -0.673311 -0.35634 -0.250637 146.933 -171.54 -238.024 # jumping subtree containing (T0187)D38 jump= -0.74061 -0.461602 0.200683 0.445136 -164.474 -222.9 -90.6369 # jumping subtree containing (T0187)I85 jump= -0.149298 0.92756 0.197533 0.279864 98.1047 23.1712 -399.36 # jumping subtree containing (T0187)L107 jump= 0.638898 0.477223 0.458012 0.392801 176.468 -39.4628 -154.699 # jumping subtree containing (T0187)A147 jump= 0.987509 0.0587449 -0.0866835 -0.117735 -36.1378 -31.8145 30.1562 # jumping subtree containing (T0187)D38 jump= 0.435642 0.487184 -0.740498 -0.156623 -326.553 -140.773 -319.385 # jumping subtree containing (T0187)A49 jump= -0.999762 -0.00739677 -0.0135644 -0.0154243 26.3166 -4.43792 -3.07165 # jumping subtree containing (T0187)T145 jump= -0.442613 -0.76109 0.0152356 -0.473923 142.769 -294.452 -250.391 # generation 93: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3599 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 32 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1006 ## OptSubtree 1275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G74 jump= -0.971789 0.212412 0.0790917 0.0652038 -9.77418 89.9471 -8.29472 # jumping subtree containing (T0187)L107 jump= 0.91141 -0.0179711 -0.378235 -0.16108 -184.204 23.0431 -28.7647 # jumping subtree containing (T0187)S126 jump= -0.886299 -0.416637 -0.134816 0.150706 22.8704 -220.315 -79.7704 # jumping subtree containing (T0187)A49 jump= -0.202227 0.257621 -0.907939 0.261498 29.0972 -123.115 -447.823 # jumping subtree containing (T0187)I85 jump= 0.241553 0.939114 0.182994 -0.16196 -39.0137 -166.886 -449.686 # jumping subtree containing (T0187)I85 jump= -0.99518 -0.0134257 0.00079385 -0.0971368 -28.244 -6.96358 17.3802 # jumping subtree containing (T0187)Y57 jump= 0.978947 -0.0173595 0.140249 0.147281 70.2049 29.0944 -14.5622 # jumping subtree containing (T0187)I85 jump= -0.78187 -0.427102 -0.449126 -0.0674459 191.03 -152.734 -186.973 # jumping subtree containing (T0187)E113 jump= -0.060437 -0.485669 -0.849987 0.194924 -73.3509 -92.8946 -488.306 # generation 94: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3599 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 33 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1011 ## OptSubtree 1293 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D38 jump= 0.0533922 0.252917 0.666026 -0.699708 -150.203 -260.698 -336.368 # jumping subtree containing (T0187)P24 jump= -0.234779 -0.441896 -0.230556 0.834536 -186.82 -245.169 -168.529 # jumping subtree containing (T0187)I85 jump= -0.81946 -0.435308 0.315482 0.198652 -194.419 -213.598 -65.2197 # jumping subtree containing (T0187)S126 jump= 0.622043 0.571297 -0.439924 -0.305204 -239.179 -194.286 -179.454 # jumping subtree containing (T0187)V117 jump= 0.778293 0.226827 0.24852 0.53014 58.1155 -8.45542 -24.4071 # jumping subtree containing (T0187)I85 jump= 0.983208 0.126677 0.130781 -0.0123457 36.1712 -60.1258 -20.2383 # jumping subtree containing (T0187)L107 jump= 0.465254 -0.137285 -0.676319 -0.554332 -145.276 145.832 -121.726 # jumping subtree containing (T0187)A88 jump= 0.803153 -0.166694 0.185193 0.541167 -51.0743 159.872 -52.7156 # jumping subtree containing (T0187)S126 jump= 0.740904 0.599771 -0.259511 -0.154885 -142.877 -281.751 -134.306 # jumping subtree containing (T0187)Y57 jump= -0.813843 0.49897 0.126137 0.269774 38.9683 156.78 -128.294 # jumping subtree containing (T0187)A49 jump= -0.997476 0.056017 0.0382215 0.0210421 10.3885 17.1479 -15.5716 # jumping subtree containing (T0187)E113 jump= 0.457433 -0.641738 0.550274 -0.27591 122.28 -59.7974 -383.113 # jumping subtree containing (T0187)M1 jump= -0.796358 -0.190152 0.437014 -0.37239 -225.337 -140.646 -34.513 # jumping subtree containing (T0187)A147 jump= 0.711585 -0.297695 0.318763 -0.550831 187.808 -100.58 -130.337 # generation 95: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3599 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 33 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1015 ## OptSubtree 1313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.115217 -0.815474 -0.176358 -0.539097 174.457 -90.9191 -278.88 # jumping subtree containing (T0187)I85 jump= -0.726911 -0.0341078 0.384531 -0.567954 -233.381 -109.609 -69.0489 # jumping subtree containing (T0187)K29 jump= -0.353633 -0.752645 -0.0703751 -0.550923 178.43 -218.169 -181.66 # jumping subtree containing (T0187)A49 jump= 0.921001 -0.036117 -0.254558 -0.292666 -85.273 7.57132 -22.75 # jumping subtree containing (T0187)L107 jump= -0.122454 0.895183 0.301384 0.304664 130.355 2.94122 -385.888 # jumping subtree containing (T0187)K29 jump= 0.998799 -0.0285168 0.0221018 0.0331423 10.5212 -2.82044 -21.1779 # generation 96: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3559 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 34 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1023 ## OptSubtree 1328 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= -0.727677 0.128572 -0.63774 -0.217354 134.308 111.382 -271.866 # jumping subtree containing (T0187)A49 jump= -0.897995 -0.299567 -0.114109 -0.301403 39.7119 -84.4714 -36.1105 # jumping subtree containing (T0187)A147 jump= -0.652676 -0.0881831 0.590321 -0.466646 -247.747 -144.911 -121.325 # jumping subtree containing (T0187)K29 jump= -0.854718 -0.0161472 0.495406 -0.154172 -233.309 -24.7369 -107.596 # jumping subtree containing (T0187)A49 jump= 0.439974 0.557154 -0.689531 0.143352 -211.791 -228.981 -311.955 # jumping subtree containing (T0187)T145 jump= -0.866066 -0.406369 -0.290435 -0.0210054 106.053 -178.016 -103.772 # jumping subtree containing (T0187)I85 jump= -0.891289 -0.159388 -0.15675 -0.394498 66.9703 -27.6821 -21.9126 # jumping subtree containing (T0187)L107 jump= 0.160141 0.425414 0.758702 -0.466636 -97.4869 -209.789 -430.964 # generation 97: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3559 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 36 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1024 ## OptSubtree 1349 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.790241 0.0766062 0.557865 -0.24174 187.25 -110.306 -203.187 # jumping subtree containing (T0187)D38 jump= 0.934919 -0.0528847 0.349659 0.0294529 113.769 37.5454 -104.426 # Removing break before 23 # jumping subtree containing (T0187)S126 jump= -0.766924 -0.526921 -0.351649 -0.102595 136.028 -175.713 -184.412 # jumping subtree containing (T0187)A49 jump= -0.331333 -0.260405 0.571511 0.704118 -266.001 27.7998 -105.739 # jumping subtree containing (T0187)I85 jump= -0.934831 0.0198374 -0.228782 0.270843 94.2684 -51.4727 -61.7978 # jumping subtree containing (T0187)A49 jump= -0.999926 -0.0113174 -0.00423539 -0.00111294 7.13086 0.825249 -5.75828 # jumping subtree containing (T0187)A49 jump= -0.282551 0.298634 -0.869954 0.272327 61.5974 -133.97 -432.357 # jumping subtree containing (T0187)A49 jump= -0.224474 -0.398935 -0.786583 0.414427 -28.3051 -234.538 -422.439 # jumping subtree containing (T0187)M1 jump= 0.988272 -0.0798156 -0.0795656 -0.103039 -12.5672 29.2116 -2.56997 # jumping subtree containing (T0187)L107 jump= -0.84297 -0.490126 0.0100444 0.221532 -47.7256 -241.172 -82.3631 # jumping subtree containing (T0187)M1 jump= 0.504394 0.162651 -0.841022 0.108691 -240.262 -76.9836 -338.931 # generation 98: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.355 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 36 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1038 ## OptSubtree 1367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.723365 -0.59702 -0.119039 0.325792 -55.8759 -290.301 -152.36 # jumping subtree containing (T0187)A88 jump= 0.0618751 0.913476 0.39334 -0.0837623 5.33378 -131.779 -469.426 # jumping subtree containing (T0187)A147 jump= -0.0413701 -0.474108 -0.776051 -0.413829 79.3556 135.022 -375.319 # jumping subtree containing (T0187)A88 jump= 0.887106 0.42519 0.167804 0.0640226 110.579 -185.695 -71.6733 # jumping subtree containing (T0187)A49 jump= -0.0805092 -0.306715 0.644127 0.696093 -212.611 113.756 -227.446 # generation 99: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3549 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 37 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1043 ## OptSubtree 1385 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.831879 0.21464 -0.376935 -0.34616 -191.812 -70.5495 -45.7965 # jumping subtree containing (T0187)P24 jump= -0.111946 -0.526509 0.567266 -0.623271 7.90556 -270.471 -285.824 # jumping subtree containing (T0187)Y57 jump= 0.804033 0.191325 0.560752 0.0498308 210.398 -81.393 -128.409 # jumping subtree containing (T0187)D38 jump= -0.796133 0.0843596 0.559122 0.215493 -245.48 70.7517 -94.7913 # jumping subtree containing (T0187)T145 jump= 0.170066 0.37012 -0.522715 -0.748904 -268.351 59.5609 -189.936 # jumping subtree containing (T0187)I85 jump= -0.915935 0.296966 -0.173206 -0.20706 4.08788 139.165 -89.8958 # generation 100: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3545 cost/residue, 318 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 37 ## CrossAndInsert 77 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1046 ## OptSubtree 1406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.817438 -0.126571 0.559899 0.0478239 -272.397 -71.1535 -115.169 # jumping subtree containing (T0187)P24 jump= 0.302302 0.626262 0.702708 0.150371 171.209 -71.1778 -418.824 # jumping subtree containing (T0187)T145 jump= -0.283094 -0.196043 0.70474 -0.620295 -159.547 -285.972 -316.471 # jumping subtree containing (T0187)M1 jump= 0.616886 -0.50318 0.246909 -0.552538 253.13 29.9142 -222.675 # jumping subtree containing (T0187)E113 jump= -0.93956 -0.208344 -0.209348 0.173184 90.3722 -141.478 -44.6132 # jumping subtree containing (T0187)A49 jump= -0.547944 0.414074 0.360154 0.631339 16.1789 120.035 -85.2129 # generation 101: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3066 cost/residue, 316 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 37 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1046 ## OptSubtree 1429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D38 jump= -0.991333 -0.12525 0.0127832 -0.037522 -7.12831 -89.4286 12.1389 # jumping subtree containing (T0187)A88 jump= -0.179554 0.943884 0.277093 0.00787071 12.283 28.5338 -497.282 # jumping subtree containing (T0187)A147 jump= 0.977402 0.206497 -0.0435812 0.0120759 -6.03502 -109.47 0.327471 # jumping subtree containing (T0187)A49 jump= -0.195497 0.809853 -0.28269 -0.475401 -205.215 0.2313 -384.582 # jumping subtree containing (T0187)D38 jump= 0.730682 -0.0700387 -0.678711 -0.0234628 -288.605 44.4908 -155.442 # jumping subtree containing (T0187)A49 jump= 0.897036 0.255551 -0.322435 0.161417 -169.598 -151.542 -44.2161 # jumping subtree containing (T0187)A49 jump= -0.323375 0.324681 0.313408 -0.831737 -288.885 -150.008 -171.286 # jumping subtree containing (T0187)A147 jump= -0.691413 0.643228 -0.294536 0.146474 130.329 139.803 -349.071 # jumping subtree containing (T0187)Y57 jump= -0.70519 0.029208 0.247063 0.663938 -73.6935 -9.55729 -8.75883 # jumping subtree containing (T0187)I85 jump= 0.997308 -0.014111 0.061688 -0.0370388 27.6964 20.2915 -3.8799 # jumping subtree containing (T0187)A49 jump= -0.131211 0.789083 0.581131 0.149727 54.6441 67.7865 -523.168 # jumping subtree containing (T0187)A49 jump= 0.787697 0.0158087 0.596849 -0.151836 237.668 -58.0928 -237.441 # generation 102: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3062 cost/residue, 316 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 37 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1056 ## OptSubtree 1448 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.683487 -0.00638326 0.644981 -0.341766 271.128 -127.641 -257.341 # jumping subtree containing (T0187)A49 jump= -0.504729 0.754231 0.13795 -0.396678 -243.553 110.578 -370.033 # jumping subtree containing (T0187)A49 jump= -0.59785 -0.639621 0.457978 0.154002 -232.537 -247.328 -254.109 # jumping subtree containing (T0187)A49 jump= -0.368716 -0.713481 -0.257037 -0.537518 206.867 -120.471 -237.79 # jumping subtree containing (T0187)I85 jump= -0.0729052 0.111188 0.665551 0.734414 30.1763 194.592 -173.619 # jumping subtree containing (T0187)I85 jump= -0.696078 0.60762 -0.163797 -0.345607 -81.4024 180.059 -265.552 # jumping subtree containing (T0187)A55 jump= 0.991522 0.129188 -0.00459879 -0.0131316 -16.4168 -56.8609 -9.18426 # jumping subtree containing (T0187)P24 jump= -0.609979 0.565175 -0.418275 -0.365444 -53.8547 244.437 -335.833 # jumping subtree containing (T0187)S126 jump= -0.852877 -0.27968 0.0415377 -0.438925 -24.2039 -154.313 -6.40405 # jumping subtree containing (T0187)P24 jump= 0.403067 0.373942 -0.7184 -0.426152 -298.211 -23.357 -232.071 # generation 103: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.3059 cost/residue, 316 clashes 0.112143 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 76 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1065 ## OptSubtree 1470 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.463719 -0.547625 0.429858 0.54799 -329.272 -142.324 -199.242 # jumping subtree containing (T0187)A49 jump= 0.724291 0.172247 0.40638 -0.529706 96.4287 -232.435 -149.739 # jumping subtree containing (T0187)A49 jump= 0.102327 -0.912984 -0.242648 -0.311628 145.483 -9.69161 -471.138 # jumping subtree containing (T0187)A49 jump= -0.497871 0.787371 -0.360321 0.0483737 51.8454 96.116 -517.642 # jumping subtree containing (T0187)I85 jump= 0.290182 0.459538 0.220509 -0.809935 -208.14 -306.146 -186.658 # jumping subtree containing (T0187)Y57 jump= -0.997361 -0.016642 -0.0255965 0.0658762 8.79968 -19.0285 22.1912 # jumping subtree containing (T0187)Y57 jump= -0.957771 -0.0956 -0.270451 0.0197814 117.226 -70.7393 -63.8686 # jumping subtree containing (T0187)E113 jump= -0.903441 -0.234193 0.275169 -0.230717 -132.888 -138.698 -18.6237 # generation 104: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0987 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1069 ## OptSubtree 1495 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= 0.909575 -0.334394 0.184628 0.163608 37.0171 167.097 -134.241 # jumping subtree containing (T0187)A49 jump= 0.437986 0.282812 0.40128 -0.7531 -58.5689 -302.277 -164.979 # jumping subtree containing (T0187)P24 jump= 0.35609 -0.130991 0.878883 0.289147 112.615 156.688 -434.194 # jumping subtree containing (T0187)P24 jump= -0.577427 0.727864 0.170867 -0.328019 -187.182 200.717 -352.466 # jumping subtree containing (T0187)I85 jump= -0.990534 -0.109727 -0.0824247 0.00289513 24.2407 -49.4523 -30.5486 # jumping subtree containing (T0187)A88 jump= 0.837479 -0.33086 0.0855887 0.426421 -39.5362 165.975 -76.8151 # generation 105: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0981 cost/residue, 313 clashes 0.136347 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1075 ## OptSubtree 1516 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D38 jump= 0.215639 -0.755709 0.0550628 0.615932 -279.24 -33.4223 -334.353 # jumping subtree containing (T0187)A49 jump= -0.757387 0.551909 -0.212178 0.277023 203.08 158.897 -247.06 # jumping subtree containing (T0187)S126 jump= 0.1947 -0.0473315 -0.96373 -0.176284 -138.645 95.1243 -530.483 # jumping subtree containing (T0187)D38 jump= -0.489094 0.355599 0.745889 -0.27926 -261.521 -34.016 -417.05 # jumping subtree containing (T0187)A49 jump= -0.325709 -0.525972 0.0189576 0.785435 -239.874 -189.102 -136.162 # generation 106: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0979 cost/residue, 313 clashes 0.136347 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1084 ## OptSubtree 1539 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E113 jump= 0.205475 -0.809038 -0.330488 0.440472 -223.143 -54.6131 -442.729 # jumping subtree containing (T0187)M1 jump= -0.223951 0.707176 -0.557576 0.372635 155.405 -153.127 -487.007 # jumping subtree containing (T0187)A49 jump= -0.940656 0.0739224 0.0863625 0.319756 8.54584 49.5768 -17.6196 # jumping subtree containing (T0187)D38 jump= -0.38363 0.322666 -0.85044 0.159583 203.114 -10.0898 -525.814 # jumping subtree containing (T0187)I85 jump= 0.393404 0.663267 0.4588 0.441376 283.27 -48.2237 -356.804 # jumping subtree containing (T0187)P24 jump= 0.994961 -0.0106543 0.0924211 -0.0373882 55.4492 -26.2113 -12.5157 # jumping subtree containing (T0187)S126 jump= 0.940042 -0.29593 -0.149074 -0.0807634 -45.2743 130.636 -93.0286 # jumping subtree containing (T0187)A88 jump= -0.0833801 0.399811 -0.909354 0.0792098 25.9728 -56.966 -626.173 # jumping subtree containing (T0187)A49 jump= 0.181037 0.960707 0.0361249 0.207274 92.5876 -196.191 -503.938 # jumping subtree containing (T0187)A147 jump= -0.16307 0.782432 0.227048 0.556469 228.617 42.2862 -310.064 # generation 107: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0964 cost/residue, 313 clashes 0.136347 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1090 ## OptSubtree 1557 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.903612 -0.246159 -0.327953 0.123849 -228.042 98.2126 -109.825 # jumping subtree containing (T0187)M1 jump= 0.898745 -0.205284 0.0808036 -0.378928 112.856 88.0116 -17.4788 # jumping subtree containing (T0187)A88 jump= -0.87823 0.163909 -0.393211 -0.217327 169.876 142.87 -163.721 # jumping subtree containing (T0187)A49 jump= 0.983175 0.00563666 -0.163514 0.0812275 -103.861 -9.38721 17.5576 # jumping subtree containing (T0187)I85 jump= -0.931725 0.226071 0.158214 -0.23611 -129.999 116.283 -50.0634 # jumping subtree containing (T0187)E113 jump= -0.611042 -0.719808 -0.000151493 0.3294 -123.232 -306.785 -232.458 # jumping subtree containing (T0187)A147 jump= -0.931263 0.251438 -0.0449644 -0.259818 -17.4944 115.567 -58.9798 # jumping subtree containing (T0187)A49 jump= 0.269467 0.575817 -0.717336 0.285046 -74.9864 -235.791 -511.329 # jumping subtree containing (T0187)E113 jump= 0.448547 -0.374456 -0.681299 0.440931 -264.219 -111.916 -387.716 # jumping subtree containing (T0187)I85 jump= 0.412893 -0.691298 0.073325 -0.58843 258.179 78.9922 -300.302 # jumping subtree containing (T0187)A49 jump= 0.997173 0.0514968 0.0344093 0.04254 -3.15494 -45.8782 -4.11894 # generation 108: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0959 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1096 ## OptSubtree 1575 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.754719 0.0912114 0.464261 -0.454468 -274.418 -86.64 -144.867 # jumping subtree containing (T0187)L107 jump= 0.538453 0.21344 0.53959 0.611027 239.398 90.9795 -158.713 # jumping subtree containing (T0187)A147 jump= -0.79329 -0.462109 0.391576 0.0617709 -219.21 -231.392 -204.612 # jumping subtree containing (T0187)A49 jump= 0.245071 0.968098 -0.0299378 0.0427875 9.46738 -212.529 -586.301 # jumping subtree containing (T0187)A49 jump= 0.729476 -0.246232 -0.635577 0.0572389 -299.504 107.758 -316.045 # jumping subtree containing (T0187)Y57 jump= 0.99866 0.0312055 -0.0158873 0.0381063 -15.4539 6.68857 -3.36068 # jumping subtree containing (T0187)A147 jump= 0.898466 -0.382096 -0.0492976 0.210549 -98.5419 202.877 -150.141 # jumping subtree containing (T0187)A49 jump= -0.778726 0.230924 0.47375 -0.340325 -327.888 25.8154 -189.691 # jumping subtree containing (T0187)D38 jump= 0.661243 -0.0123943 -0.00700079 -0.750037 -30.4562 -59.437 -11.0002 # jumping subtree containing (T0187)A49 jump= 0.984795 -0.0460584 0.162594 -0.0402612 87.6838 35.472 -41.1253 # jumping subtree containing (T0187)K17 jump= -0.998262 0.0365918 -0.0299072 -0.0352207 -6.70078 13.5999 -22.8025 # jumping subtree containing (T0187)A147 jump= -0.741278 0.122315 0.26612 0.603925 -32.5431 77.3188 -26.2707 # generation 109: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0959 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1098 ## OptSubtree 1597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.163527 -0.831818 0.443343 -0.291178 132.739 -68.5456 -526.349 # jumping subtree containing (T0187)A49 jump= -0.943979 0.127839 -0.0802299 0.29347 87.5948 32.1399 -40.5712 # jumping subtree containing (T0187)P24 jump= -0.529582 -0.181349 0.617227 -0.552889 -215.927 -320.431 -276.139 # jumping subtree containing (T0187)A49 jump= -0.779791 0.275447 0.45748 -0.326752 -314.728 33.5127 -172.079 # jumping subtree containing (T0187)Y57 jump= 0.802446 -0.458909 -0.353154 -0.144105 -146.605 234.264 -204.744 # jumping subtree containing (T0187)Y57 jump= -0.834358 -0.234558 -0.278044 -0.41415 165.319 -67.382 -77.6381 # jumping subtree containing (T0187)Y57 jump= -0.131271 0.571962 -0.267016 0.764415 246.523 -154.68 -271.853 # jumping subtree containing (T0187)I85 jump= -0.759217 -0.508237 0.354068 0.199803 -264.81 -224.26 -205.843 # jumping subtree containing (T0187)A147 jump= 0.665266 0.234191 0.0994165 -0.701921 -48.6581 -199.671 -68.6109 # jumping subtree containing (T0187)P24 jump= -0.357004 0.501939 0.255041 -0.745359 -314.771 -59.6828 -236.161 # jumping subtree containing (T0187)M1 jump= 0.164643 0.222151 -0.0254394 0.960674 106.971 -69.3406 -33.978 # generation 110: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0959 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 38 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1102 ## OptSubtree 1617 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K17 jump= -0.825491 0.483745 0.263772 0.122393 -85.9424 261.361 -201.73 # jumping subtree containing (T0187)K17 jump= -0.423732 0.364895 -0.705991 0.434604 280.461 -101.651 -390.206 # jumping subtree containing (T0187)A49 jump= 0.0451995 -0.947008 0.285217 -0.140654 65.5043 -43.7878 -627.701 # jumping subtree containing (T0187)S126 jump= -0.828016 0.0574992 0.139177 -0.540104 -116.907 6.64461 3.94618 # jumping subtree containing (T0187)A147 jump= -0.466116 0.539136 0.127483 -0.689795 -347.705 65.0886 -231.379 # jumping subtree containing (T0187)Y57 jump= 0.559947 -0.536592 -0.48528 -0.403772 -8.69433 254.073 -320.123 # jumping subtree containing (T0187)A147 jump= 0.207473 0.783202 0.247633 -0.53125 -215.909 -264.398 -428.937 # jumping subtree containing (T0187)A49 jump= 0.992106 -0.0398493 0.104469 -0.0567853 84.0986 11.3903 -0.766564 # jumping subtree containing (T0187)A88 jump= 0.811784 -0.577293 0.074994 -0.0459999 74.9953 263.421 -224.037 # jumping subtree containing (T0187)Y57 jump= -0.0957325 -0.909312 0.399749 0.0647094 -65.2609 -106.844 -626.902 # generation 111: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0959 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 39 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1106 ## OptSubtree 1636 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.798119 -0.596093 0.0645672 0.0592459 14.9444 284.464 -219.265 # jumping subtree containing (T0187)A49 jump= 0.298967 -0.322083 0.34831 0.827986 -141.208 261.212 -157.595 # jumping subtree containing (T0187)I85 jump= -0.996979 0.0631727 0.0285507 0.0350306 -13.6113 47.7282 -18.5105 # jumping subtree containing (T0187)A147 jump= 0.997583 0.00950151 -0.0640696 0.0251479 -52.2996 -18.1074 14.3843 # jumping subtree containing (T0187)A147 jump= 0.558935 0.566332 -0.461385 0.392408 -66.0095 -312.494 -323.192 # jumping subtree containing (T0187)I85 jump= 0.239529 0.442979 -0.357761 0.786386 84.3625 -260.578 -152.574 # jumping subtree containing (T0187)A49 jump= -0.258014 -0.187849 0.940061 -0.12011 -188.968 -117.502 -569.164 # jumping subtree containing (T0187)A49 jump= 0.89918 -0.0638988 0.30495 0.307241 95.1347 112.272 -68.9679 # jumping subtree containing (T0187)T97 jump= 0.303132 -0.405656 -0.180516 -0.84319 139.908 97.9627 -96.2834 # generation 112: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0958 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 42 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1107 ## OptSubtree 1656 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E113 jump= -0.963812 0.102613 0.198816 -0.144943 -130.741 63.7527 -21.1734 # jumping subtree containing (T0187)A49 jump= -0.7849 0.25487 0.068166 -0.560648 -154.075 115.839 -45.786 # jumping subtree containing (T0187)P24 jump= -0.942183 -0.300053 0.130091 0.0730475 -86.74 -197.442 -60.088 # jumping subtree containing (T0187)A49 jump= -0.981587 0.145016 -0.112069 0.0538294 72.0284 63.5329 -36.7227 # jumping subtree containing (T0187)M1 jump= -0.0574096 0.0635159 0.4185 0.904172 -30.6652 202.752 -109.938 # jumping subtree containing (T0187)K17 jump= -0.285759 0.893499 -0.340899 -0.0615534 37.6311 146.473 -597.196 # jumping subtree containing (T0187)A49 jump= -0.884915 -0.111959 -0.29654 0.341255 117.049 -154.287 -90.4141 # jumping subtree containing (T0187)L107 jump= -0.338542 0.810876 0.156041 -0.451134 -265.031 80.6997 -467.449 # jumping subtree containing (T0187)A88 jump= -0.537334 -0.212807 -0.760554 0.295877 164.489 -192.89 -413.609 # jumping subtree containing (T0187)K29 jump= -0.998148 -0.0230537 -0.0312891 0.0468066 23.8923 -6.71698 12.8757 # generation 113: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0958 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 44 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1109 ## OptSubtree 1676 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A55 jump= -0.423451 -0.397529 -0.513555 0.631602 -49.6051 -332.7 -326.108 # jumping subtree containing (T0187)A49 jump= 0.883282 -0.0669793 -0.435436 -0.160382 -233.442 98.923 -109.938 # jumping subtree containing (T0187)A49 jump= -0.509817 0.27915 -0.238473 0.778005 184.823 -53.2197 -77.307 # jumping subtree containing (T0187)E113 jump= -0.236309 0.832622 0.425072 0.264977 100.302 142.459 -511.973 # jumping subtree containing (T0187)T97 jump= -0.872335 0.201936 0.143827 0.421387 -19.132 79.1065 -36.1486 # jumping subtree containing (T0187)S126 jump= -0.820826 -0.0475085 -0.155736 -0.54748 66.9798 53.8933 -24.4939 # jumping subtree containing (T0187)A147 jump= 0.874723 -0.191928 0.422455 -0.139838 239.043 45.0758 -137.773 # generation 114: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0958 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 45 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1697 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.756517 0.000847758 -0.139434 0.638936 -74.3682 -65.3989 -23.6183 # jumping subtree containing (T0187)A49 jump= -0.972661 0.184403 0.0784374 -0.11736 -71.0482 110.59 -40.4798 # jumping subtree containing (T0187)S126 jump= -0.0827335 -0.252097 0.783584 0.561782 -139.642 258.031 -408.774 # Removing break before 112 # jumping subtree containing (T0187)A49 jump= -0.913316 0.254123 -0.0967542 0.303173 98.5412 101.806 -40.0888 # jumping subtree containing (T0187)A49 jump= -0.986155 -0.00131085 0.165789 -0.00325996 -129.022 -12.8594 -13.7504 # jumping subtree containing (T0187)A49 jump= -0.0448779 -0.490071 -0.659376 -0.568365 187.98 229.587 -388.588 # jumping subtree containing (T0187)E113 jump= -0.104375 0.559602 -0.604398 -0.557364 -210.779 193.302 -422.875 # jumping subtree containing (T0187)M1 jump= 0.246961 0.929446 -0.105365 0.253059 136.458 -145.146 -496.284 # jumping subtree containing (T0187)S126 jump= -0.999631 -0.00271464 -0.0251703 0.00983245 4.05219 -20.2001 17.9814 # jumping subtree containing (T0187)E113 jump= -0.75292 0.421038 0.462321 0.205176 -131.181 233.272 -220.58 # generation 115: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0958 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 45 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1721 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.983225 -0.164675 0.0681895 0.0387449 -46.1962 -88.395 -4.3645 # jumping subtree containing (T0187)S126 jump= 0.553748 -0.15489 -0.718227 -0.391819 -240.786 215.159 -336.946 # jumping subtree containing (T0187)M1 jump= 0.160953 0.7267 0.58895 -0.314862 -98.2189 -190.018 -507.973 # jumping subtree containing (T0187)I85 jump= -0.987954 -0.00155314 0.146757 0.0490574 -92.605 4.85852 17.177 # jumping subtree containing (T0187)S126 jump= 0.956377 0.139121 -0.256514 0.0137496 -158.337 -66.6169 -37.5884 # jumping subtree containing (T0187)A49 jump= 0.44982 0.0615815 0.872407 0.181038 218.708 102.629 -516.044 # jumping subtree containing (T0187)A49 jump= 0.382944 -0.354565 -0.851853 -0.0445371 -200.513 116.587 -513.55 # generation 116: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0955 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 46 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1744 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.816365 0.169056 -0.445188 0.326766 253.143 -29.2466 -150.835 # jumping subtree containing (T0187)A49 jump= -0.991445 0.00147256 -0.00473369 -0.130434 -22.3999 7.59476 -16.6419 # jumping subtree containing (T0187)A49 jump= -0.92391 -0.262936 0.0633582 0.270629 -92.2983 -167.149 -40.6568 # jumping subtree containing (T0187)T97 jump= -0.719742 -0.362727 -0.152629 0.571931 -31.4949 -255.13 -117.806 # jumping subtree containing (T0187)D38 jump= 0.944053 -0.27002 0.142663 -0.124504 111.685 143.675 -78.1261 # jumping subtree containing (T0187)S126 jump= 0.994985 0.091396 0.0397753 0.00829065 47.0888 -72.7696 -13.0727 # jumping subtree containing (T0187)A49 jump= -0.629812 0.0948103 0.46416 0.615552 -150.848 190.064 -97.3232 # jumping subtree containing (T0187)A88 jump= 0.791023 -0.247092 0.335707 -0.447804 229.986 -16.7419 -154.527 # jumping subtree containing (T0187)A49 jump= -0.156304 0.490069 -0.723183 -0.460877 -130.492 249.272 -477.288 # jumping subtree containing (T0187)S126 jump= 0.466734 -0.2587 0.721702 -0.440885 258.728 -152.8 -365.433 # jumping subtree containing (T0187)A49 jump= -0.784127 0.570457 0.219247 0.107952 -80.6646 307.386 -232.94 # jumping subtree containing (T0187)A49 jump= 0.652248 -0.269774 0.00853361 0.708323 -156.694 139.101 -61.2477 # jumping subtree containing (T0187)A49 jump= 0.521814 -0.290419 0.114856 0.793836 -131.015 158.848 -67.4317 # generation 117: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0955 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 50 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1764 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D38 jump= 0.995176 0.0926208 0.00707101 0.0315628 8.89267 -79.3312 10.6692 # jumping subtree containing (T0187)A147 jump= 0.871658 -0.414477 -0.218029 -0.144514 -81.9616 241.821 -150.224 # jumping subtree containing (T0187)S126 jump= 0.930089 0.277353 0.201146 0.13248 123.007 -148.915 -92.6401 # jumping subtree containing (T0187)A49 jump= 0.999794 -0.01923 0.000503888 0.00655006 23.0526 6.53397 13.763 # jumping subtree containing (T0187)S126 jump= 0.812081 0.111553 0.571014 0.0449796 284.96 -34.8918 -247.52 # jumping subtree containing (T0187)S127 jump= -0.540567 0.772792 0.222516 0.247116 50.9247 272.23 -370.386 # jumping subtree containing (T0187)A49 jump= -0.570841 -0.170674 -0.681081 0.425606 165.905 -237.167 -314.265 # jumping subtree containing (T0187)T97 jump= 0.159852 -0.383071 0.896583 -0.154413 61.509 -97.091 -572.737 # jumping subtree containing (T0187)S126 jump= -0.44365 0.381419 -0.74898 -0.311002 114.747 237.663 -473.817 # jumping subtree containing (T0187)A49 jump= 0.32356 0.172805 -0.137212 -0.92012 -135.598 11.8573 -42.4432 # generation 118: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0955 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 53 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1785 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.949152 -0.20114 0.102849 -0.219261 -48.6144 -131.885 -9.65343 # jumping subtree containing (T0187)I85 jump= 0.71758 0.016119 -0.127969 0.684429 -118.424 -39.5702 -1.69164 # jumping subtree containing (T0187)A49 jump= -0.747684 0.071471 0.0227807 -0.659804 -65.2329 63.9412 -15.4677 # jumping subtree containing (T0187)M52 jump= -0.380503 -0.717696 -0.210387 0.543938 -199.513 -264.567 -392.57 # jumping subtree containing (T0187)S126 jump= -0.451365 0.354581 -0.0930385 -0.813564 -158.292 161.37 -98.2666 # jumping subtree containing (T0187)S126 jump= 0.0397152 0.0464018 -0.989152 0.133594 -73.9749 -72.1721 -598.159 # jumping subtree containing (T0187)A49 jump= -0.791429 -0.0153482 -0.484898 0.371859 209.674 -157.28 -178.731 # jumping subtree containing (T0187)S18 jump= 0.84437 0.284624 0.294466 0.345424 219.528 -61.4708 -139.251 # generation 119: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0954 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 56 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1806 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= -0.985141 -0.0245309 -0.115219 -0.12498 67.5058 19.0709 -33.2337 # jumping subtree containing (T0187)Y57 jump= -0.77164 0.51413 -0.348092 -0.138107 121.145 250.631 -269.994 # jumping subtree containing (T0187)Y73 jump= -0.307654 -0.0361821 0.894577 -0.322136 -225.773 -189.845 -463.833 # jumping subtree containing (T0187)A88 jump= 0.349955 0.049955 -0.00759872 -0.935403 -79.3039 -81.8288 5.13873 # jumping subtree containing (T0187)K29 jump= -0.719495 0.272688 0.480298 0.421049 -140.265 239.973 -161.209 # Removing break before 112 # jumping subtree containing (T0187)A49 jump= -0.995291 -0.0651248 -0.0567737 0.0439498 43.0403 -56.5033 -26.8173 # jumping subtree containing (T0187)S126 jump= -0.995717 0.0649506 -0.0580292 -0.0310218 28.9787 38.104 9.26734 # generation 120: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0954 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 59 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1827 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.0717035 0.607103 0.125326 0.781395 277.042 44.1359 -232.283 # Removing break before 23 # jumping subtree containing (T0187)A49 jump= -0.0169521 0.643232 -0.57953 -0.500109 -227.8 144.726 -476.067 # jumping subtree containing (T0187)A49 jump= -0.600511 -0.370125 -0.315733 -0.634592 244.525 -20.6164 -161.766 # generation 121: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0954 cost/residue, 313 clashes 0.136346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 61 ## CrossAndInsert 78 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1111 ## OptSubtree 1849 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.99759 -0.0541952 0.0142898 0.0409056 -14.2766 -8.43304 4.80747 # jumping subtree containing (T0187)S126 jump= 0.57412 0.0815786 -0.021431 -0.814415 -78.3544 -25.7882 -12.8792 # jumping subtree containing (T0187)M1 jump= -0.16709 -0.859507 -0.40938 -0.25639 176.273 -25.7868 -549.52 # jumping subtree containing (T0187)A88 jump= -0.799201 0.217269 -0.0644548 0.556702 109.641 33.1376 -13.8391 # jumping subtree containing (T0187)K29 jump= -0.960901 -0.110957 -0.246118 0.0615115 131.373 -87.9006 -45.6257 # jumping subtree containing (T0187)V136 jump= 0.0492292 0.121384 -0.280513 -0.95087 -87.2244 130.035 -68.334 # jumping subtree containing (T0187)A49 jump= 0.665012 -0.0872954 0.412916 0.616148 116.393 199.4 -135.463 # jumping subtree containing (T0187)K29 jump= -0.179823 -0.95582 0.167671 0.161118 -106.827 -135.505 -588.434 # jumping subtree containing (T0187)A49 jump= 0.814378 0.0861808 0.463247 0.338769 231.276 72.8758 -166.493 # jumping subtree containing (T0187)E139 jump= 0.971908 -0.132792 -0.173345 -0.0878263 -77.3861 106.826 -29.1585 # jumping subtree containing (T0187)A49 jump= 0.913744 -0.247126 0.153617 -0.283554 123.694 114.171 -61.3858 # jumping subtree containing (T0187)S126 jump= 0.869951 -0.469676 -0.00941622 0.150004 -71.1933 254.379 -140.293 # jumping subtree containing (T0187)S126 jump= 0.756173 -0.377398 -0.520797 0.120592 -276.167 116.752 -249.251 # jumping subtree containing (T0187)A49 jump= 0.857752 -0.204678 0.0600963 0.467714 -33.8849 133.722 -22.4123 # jumping subtree containing (T0187)S126 jump= 0.173718 0.206111 0.752005 -0.601522 -29.9924 -306.504 -385.755 # generation 122: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0908 cost/residue, 312 clashes 0.144835 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 63 ## CrossAndInsert 78 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1112 ## OptSubtree 1869 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.999797 -0.0147955 -0.0136563 -0.000805124 -4.45111 -16.8656 -9.3518 # jumping subtree containing (T0187)L107 jump= 0.708111 -0.667641 -0.214971 0.0813763 -124.88 245.643 -349.701 # jumping subtree containing (T0187)I85 jump= -0.983159 0.157434 0.0799938 -0.0470608 -62.826 125.7 -20.5394 # Removing break before 96 # jumping subtree containing (T0187)S126 jump= -0.410268 -0.447157 -0.758578 0.237257 119.808 -236.028 -480.694 # jumping subtree containing (T0187)K29 jump= 0.384202 -0.634648 0.42863 0.515642 -138.032 289.973 -423.329 # generation 123: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0908 cost/residue, 312 clashes 0.144835 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 63 ## CrossAndInsert 78 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1117 ## OptSubtree 1888 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.129584 0.243169 -0.934369 -0.225903 -124.87 117.92 -583.63 # jumping subtree containing (T0187)I85 jump= 0.920301 -0.315169 -0.1595 0.168151 -151.976 167.471 -73.7315 # jumping subtree containing (T0187)A147 jump= 0.0709738 0.246279 -0.383236 0.887378 86.6086 -233.235 -112.462 # jumping subtree containing (T0187)A88 jump= -0.999831 -0.0113853 -0.0143468 0.00150252 23.6849 -22.0017 -9.07876 # jumping subtree containing (T0187)I85 jump= 0.591561 -0.480387 -0.433649 0.480866 -351.952 49.9692 -260.359 # jumping subtree containing (T0187)M1 jump= -0.560319 -0.459246 0.364739 0.584895 -300.518 -70.4931 -202.366 # jumping subtree containing (T0187)I85 jump= -0.946127 -0.0688855 0.168389 0.267851 -107.507 -29.3754 -6.54906 # jumping subtree containing (T0187)T97 jump= 0.532083 -0.731263 0.330501 0.270022 -61.3997 248.523 -420.437 # generation 124: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0908 cost/residue, 312 clashes 0.144835 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 63 ## CrossAndInsert 78 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1132 ## OptSubtree 1904 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.776896 -0.292931 -0.0175998 -0.557059 77.663 141.998 -21.9935 # jumping subtree containing (T0187)K29 jump= -0.999974 -0.00466384 -0.00534778 0.00160503 -22.0595 -2.11453 -5.46443 # jumping subtree containing (T0187)A88 jump= -0.675846 0.727674 -0.0702136 -0.0937691 6.19066 286.274 -374.097 # jumping subtree containing (T0187)I85 jump= -0.740117 -0.604043 -0.0277484 -0.294261 97.8581 -254.502 -196.4 # jumping subtree containing (T0187)E113 jump= 0.837799 -0.238848 0.398643 0.286579 141.781 178.216 -149.752 # jumping subtree containing (T0187)I85 jump= 0.333981 0.356692 0.852406 0.186097 193.129 46.1051 -545.672 # jumping subtree containing (T0187)L107 jump= 0.0172774 0.931859 0.277697 0.232864 148.505 -2.20831 -550.722 # generation 125: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.045 cost/residue, 311 clashes 0.145976 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 64 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1137 ## OptSubtree 1923 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I85 jump= -0.96945 0.166937 -0.105576 0.145438 92.2361 94.8444 -52.2747 # jumping subtree containing (T0187)I85 jump= 0.134824 0.181773 -0.247744 0.942021 4.00108 -206.609 -70.7985 # jumping subtree containing (T0187)T97 jump= -0.818981 -0.571586 -0.0492482 -0.0115745 42.2647 -299.994 -174.127 # jumping subtree containing (T0187)A147 jump= -0.875901 0.0403862 0.393411 0.276394 -201.596 62.1459 -66.0399 # jumping subtree containing (T0187)A88 jump= -0.603971 -0.265153 0.0576918 0.749389 -157.548 -130.975 -36.8449 # jumping subtree containing (T0187)P24 jump= 0.986852 0.0445726 -0.13873 -0.0699242 -78.8652 -11.2164 -3.3554 # jumping subtree containing (T0187)I85 jump= -0.79194 -0.457827 0.00796972 0.403933 -88.047 -281.849 -103.044 # jumping subtree containing (T0187)L107 jump= -0.0259099 0.499182 -0.127995 -0.8566 -282.463 41.5925 -163.807 # jumping subtree containing (T0187)I12 jump= -0.726732 -0.10514 -0.169071 0.657435 -8.95952 -134.07 -21.7237 # generation 126: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0442 cost/residue, 311 clashes 0.145976 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 64 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1146 ## OptSubtree 1938 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.969074 0.0700326 0.0745978 0.22456 63.5676 -18.4042 13.9208 # jumping subtree containing (T0187)M1 jump= 0.0212149 0.135996 0.0890049 -0.986475 -148.2 -44.1001 -30.9537 # jumping subtree containing (T0187)I85 jump= 0.947492 0.0631207 -0.312433 0.0257149 -199.035 -21.4069 -35.2107 # jumping subtree containing (T0187)A147 jump= 0.915351 -0.186946 -0.206655 0.29065 -167.671 77.1218 -16.6081 # jumping subtree containing (T0187)A49 jump= 0.579924 -0.503185 -0.380667 0.51535 -345.035 83.8785 -264.256 # jumping subtree containing (T0187)A88 jump= -0.333966 -0.319145 0.882015 0.0930708 -231.087 -30.1673 -529.681 # jumping subtree containing (T0187)Q142 jump= 0.45331 0.834771 0.311743 0.0220104 97.5214 -209.196 -539.207 # jumping subtree containing (T0187)T97 jump= -0.236859 -0.0443237 -0.19255 0.95124 -41.2232 -131.704 -27.3731 # jumping subtree containing (T0187)Q142 jump= -0.750583 0.0246727 0.169356 0.638229 -94.4093 40.4076 -9.56854 # jumping subtree containing (T0187)Y57 jump= -0.838414 0.301431 0.264506 -0.369103 -252.881 93.1256 -106.427 # jumping subtree containing (T0187)A88 jump= 0.497624 -0.165534 -0.851434 -0.00534659 -245.381 44.6127 -434.314 # jumping subtree containing (T0187)A147 jump= 0.527857 -0.612325 0.577084 -0.115757 203.751 150.94 -449.209 # jumping subtree containing (T0187)Y57 jump= -0.465427 0.574325 -0.538269 -0.404717 -50.2322 273.334 -423.07 # jumping subtree containing (T0187)Y57 jump= 0.689221 -0.461151 -0.55713 -0.0438212 -234.722 198.631 -324.868 # jumping subtree containing (T0187)L107 jump= -0.81088 0.0134917 -0.532753 -0.241799 278.03 80.2558 -177.299 # jumping subtree containing (T0187)M1 jump= 0.0269888 0.321903 0.764047 0.558464 55.1537 287.91 -458.314 # generation 127: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0434 cost/residue, 311 clashes 0.145976 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 65 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1157 ## OptSubtree 1961 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.745245 0.308587 -0.454795 0.377552 -164.173 -222.833 -177.225 # jumping subtree containing (T0187)I85 jump= 0.210355 -0.642328 0.387559 0.626869 -229.28 206.238 -368.791 # jumping subtree containing (T0187)A88 jump= -0.89772 -0.397249 -0.128982 -0.140198 124.188 -204.729 -108.59 # jumping subtree containing (T0187)Y57 jump= 0.118946 0.314282 -0.760565 -0.555535 -205.907 234.636 -403.623 # jumping subtree containing (T0187)T97 jump= 0.539204 0.502173 -0.0102283 -0.676 -245.613 -172.087 -183.561 # jumping subtree containing (T0187)Y57 jump= 0.729778 -0.354212 0.580412 -0.0712722 273.294 121.822 -285.532 # jumping subtree containing (T0187)Y57 jump= 0.426669 0.723948 -0.388797 0.377744 95.7864 -247.371 -455.793 # jumping subtree containing (T0187)I85 jump= 0.409241 0.667649 0.258682 -0.565553 -186.563 -304.528 -348.477 # jumping subtree containing (T0187)A49 jump= 0.997921 -0.0496227 0.0222254 0.0346111 8.11216 21.1914 -23.5783 # jumping subtree containing (T0187)E113 jump= 0.308496 -0.29068 -0.797819 0.428742 -234.609 -160.056 -457.476 # generation 128: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 73.0434 cost/residue, 311 clashes 0.145976 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 77 ## TwoFragment 16 ## CrossOver 65 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1165 ## OptSubtree 1977 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A21 jump= -0.754468 0.59413 0.278726 0.00997059 -133.635 325.397 -287.239 # jumping subtree containing (T0187)Y57 jump= -0.753757 -0.360774 0.414584 -0.360295 -124.029 -278.444 -208.929 # jumping subtree containing (T0187)I85 jump= 0.767309 -0.624922 0.143683 -0.00803381 79.5414 276.743 -230.385 # jumping subtree containing (T0187)A88 jump= -0.444726 -0.307663 0.131025 -0.8309 66.0677 -143.316 -54.9207 # jumping subtree containing (T0187)P24 jump= 0.975669 0.21281 -0.052431 0.00565619 -33.9077 -131.968 -5.90224 # generation 129: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9596 cost/residue, 311 clashes 0.143647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 65 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1171 ## OptSubtree 1994 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.903461 0.379638 0.141014 0.140528 -54.9046 237.453 -96.0767 # jumping subtree containing (T0187)I85 jump= -0.949985 -0.296953 0.0269523 0.0928459 -44.5774 -199.727 -63.4265 # jumping subtree containing (T0187)Q142 jump= -0.999894 -0.00164891 -0.000842624 0.0144151 -21.6551 -0.572472 3.86528 # jumping subtree containing (T0187)S126 jump= -0.996506 -0.0150057 -0.0764688 0.0300498 52.9148 -27.1703 11.086 # jumping subtree containing (T0187)I85 jump= 0.950183 -0.295368 0.0938516 0.0331915 69.6608 185.577 -80.2017 # jumping subtree containing (T0187)I85 jump= 0.391452 0.625473 0.568112 -0.364415 -27.7819 -293.47 -462.298 # jumping subtree containing (T0187)P24 jump= -0.983169 -0.106204 -0.0901023 0.118244 32.3369 -76.7799 -34.8755 # jumping subtree containing (T0187)A88 jump= 0.44683 -0.125837 -0.549547 -0.694627 -126.976 241.538 -138.385 # jumping subtree containing (T0187)P93 jump= 0.0405167 -0.718945 0.537025 0.43941 -234.963 111.41 -513.06 # jumping subtree containing (T0187)A88 jump= 0.792454 0.172093 0.136181 0.569083 97.9613 0.953882 -39.8482 # jumping subtree containing (T0187)Y57 jump= -0.993836 -0.0343016 0.0982104 0.0383103 -78.2351 -37.4818 -4.55036 # jumping subtree containing (T0187)R39 jump= -0.88472 -0.264824 0.275042 -0.267377 -125.934 -199.783 -71.5896 # jumping subtree containing (T0187)A49 jump= 0.957759 -0.0116885 -0.161963 0.237339 -121.724 -28.3229 -9.66779 # jumping subtree containing (T0187)A88 jump= 0.981603 -0.154884 0.0756181 0.0821537 34.962 76.9415 -10.6488 # generation 130: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9596 cost/residue, 311 clashes 0.143647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 66 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1182 ## OptSubtree 2007 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.475372 -0.523 0.234476 0.667468 -200.943 288.324 -221.456 # jumping subtree containing (T0187)I85 jump= 0.761122 -0.296786 -0.563865 0.121108 -320.145 112.331 -235.672 # jumping subtree containing (T0187)A88 jump= 0.162584 -0.563682 -0.470418 -0.659194 171.098 253.67 -314.049 # jumping subtree containing (T0187)A49 jump= -0.986984 0.114916 0.0373885 -0.106104 -26.0494 71.2465 12.2102 # Removing break before 96 # jumping subtree containing (T0187)I85 jump= -0.911071 -0.178685 0.348514 -0.128682 -211.328 -137.09 -77.0762 # jumping subtree containing (T0187)A147 jump= 0.0208829 0.14617 0.640931 -0.753263 -93.7708 -291.19 -275.823 # jumping subtree containing (T0187)A147 jump= -0.548204 0.124354 -0.531546 -0.633615 66.0117 178.636 -140.145 # jumping subtree containing (T0187)P24 jump= 0.105913 0.436588 0.0465948 0.892189 217.324 -16.1247 -102.607 # jumping subtree containing (T0187)A147 jump= -0.910193 -0.0847702 -0.0676748 -0.39973 64.1789 -16.0614 8.03109 # jumping subtree containing (T0187)A88 jump= 0.156598 -0.0677367 0.935275 0.310079 -9.38103 189.4 -538.451 # generation 131: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9583 cost/residue, 311 clashes 0.143647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 66 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1195 ## OptSubtree 2026 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.977005 0.0440799 0.202778 -0.0489764 -120.549 6.7263 -26.9075 # jumping subtree containing (T0187)Q142 jump= 0.433632 -0.522552 -0.406267 -0.611433 26.4181 294.954 -242.681 # jumping subtree containing (T0187)A147 jump= 0.763865 0.490484 -0.330829 -0.257853 -249.667 -245.46 -220.663 # jumping subtree containing (T0187)A49 jump= -0.109041 0.866065 -0.0209373 0.487445 262.463 37.2142 -444.258 # jumping subtree containing (T0187)A147 jump= -0.891226 -0.0589347 -0.318019 0.317973 149.386 -127.562 -95.472 # generation 132: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9583 cost/residue, 311 clashes 0.143647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 66 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1202 ## OptSubtree 2044 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.603998 -0.309899 -0.0230583 0.733905 -197.922 144.859 -97.1162 # jumping subtree containing (T0187)A147 jump= 0.0557471 0.643631 -0.737781 -0.195733 -148.614 34.1099 -651.165 # jumping subtree containing (T0187)P24 jump= 0.137641 -0.118909 0.238937 -0.953847 58.1438 -147.301 -31.7334 # jumping subtree containing (T0187)Y57 jump= -0.484311 -0.545535 0.615372 0.298583 -341.662 -125.818 -410.486 # jumping subtree containing (T0187)M1 jump= 0.359735 -0.456068 0.813821 -0.0169997 168.333 68.7719 -560.295 # jumping subtree containing (T0187)Y57 jump= 0.974056 -0.0884546 0.0550593 0.200898 21.8321 83.5037 8.26971 # jumping subtree containing (T0187)S126 jump= -0.6433 0.0625207 0.569176 0.508227 -276.847 191.992 -188.393 # jumping subtree containing (T0187)S126 jump= -0.508838 0.320474 0.698079 -0.388673 -351.666 -47.8164 -369.637 # jumping subtree containing (T0187)A147 jump= -0.394102 0.473466 -0.570999 0.542653 290.074 -93.2772 -343.19 # jumping subtree containing (T0187)P24 jump= -0.126561 -0.206146 0.703667 0.668086 -222.845 266.703 -384.436 # jumping subtree containing (T0187)A88 jump= 0.669888 0.272987 -0.593005 0.353658 -214.479 -266.017 -241.018 # generation 133: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9582 cost/residue, 311 clashes 0.143647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 66 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1210 ## OptSubtree 2060 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.999907 -0.0115233 0.00596852 -0.00408454 4.33259 -2.89492 -25.3776 # jumping subtree containing (T0187)L107 jump= -0.323196 -0.666825 -0.177629 0.647563 -231.336 -166.681 -282.856 # jumping subtree containing (T0187)P24 jump= -0.507616 -0.495278 -0.464267 -0.53055 285.69 18.2578 -288.233 # jumping subtree containing (T0187)P24 jump= -0.122711 0.511097 -0.841115 0.127468 54.9107 -76.2083 -626.195 # jumping subtree containing (T0187)A49 jump= -0.268222 0.426334 0.436859 0.745286 67.0189 268.634 -201.053 # jumping subtree containing (T0187)A147 jump= 0.766854 -0.172521 -0.61802 -0.014907 -362.114 88.7962 -248.655 # jumping subtree containing (T0187)A88 jump= -0.597398 0.285976 -0.094685 -0.743215 -129.98 158.229 -86.4495 # jumping subtree containing (T0187)E106 jump= -0.82025 0.551764 -0.149465 -0.0201684 55.9601 280.184 -198.167 # generation 134: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9569 cost/residue, 311 clashes 0.143646 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 66 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1215 ## OptSubtree 2079 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.963973 -0.112732 0.168266 0.172437 -146.2 -53.2159 -8.98707 # jumping subtree containing (T0187)P24 jump= -0.556021 -0.829224 0.0481495 -0.0301768 4.90881 -309.413 -354.549 # jumping subtree containing (T0187)A147 jump= -0.620815 0.740703 0.0443616 -0.252941 -161.865 283.176 -350.747 # jumping subtree containing (T0187)P24 jump= 0.967765 0.154279 0.133501 -0.147672 78.4867 -96.6109 -16.0449 # jumping subtree containing (T0187)P24 jump= -0.66991 -0.1333 -0.129966 0.718721 -33.2626 -170.115 -55.9539 # jumping subtree containing (T0187)A49 jump= 0.259669 0.909949 0.317838 -0.0595273 36.7173 -151.258 -591.908 # jumping subtree containing (T0187)A147 jump= -0.90314 0.250285 -0.34809 0.0229839 176.281 128.727 -123.29 # jumping subtree containing (T0187)A147 jump= -0.979507 -0.129613 0.00228197 0.154146 -27.8421 -109.367 -25.1267 # jumping subtree containing (T0187)D38 jump= 0.999933 -0.00437104 -0.00820506 -0.0068388 3.73992 -19.8138 5.61293 # jumping subtree containing (T0187)A147 jump= 0.662021 0.386569 0.257179 -0.588347 -44.1935 -263.643 -163.903 # jumping subtree containing (T0187)A49 jump= 0.620933 -0.779024 0.073472 -0.0465467 40.6335 311.602 -403.935 # jumping subtree containing (T0187)K29 jump= -0.965152 -0.076821 -0.249501 0.018142 166.02 -34.0159 -70.8257 # jumping subtree containing (T0187)A49 jump= 0.575838 0.153956 0.598285 -0.535502 138.955 -275.923 -275.36 # jumping subtree containing (T0187)P24 jump= -0.922498 -0.0393363 0.131419 -0.360804 -83.0344 -27.7994 9.95167 # jumping subtree containing (T0187)A147 jump= 0.652335 0.137843 0.713475 0.215435 281.848 54.3036 -324.738 # jumping subtree containing (T0187)P24 jump= 0.999964 -0.00712841 0.0014953 0.00433975 -8.08211 -0.669128 -4.32584 # jumping subtree containing (T0187)A147 jump= 0.835444 0.26771 -0.0733721 0.474323 27.5489 -154.381 -29.3163 # jumping subtree containing (T0187)A49 jump= 0.82822 -0.446209 0.158342 0.299793 1.84086 275.925 -135.546 # generation 135: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9569 cost/residue, 311 clashes 0.143646 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 66 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1216 ## OptSubtree 2102 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.567643 -0.292437 -0.0260348 0.769145 -216.918 111.235 -89.8069 # jumping subtree containing (T0187)M1 jump= -0.837114 -0.540057 -0.0724938 -0.0481902 80.0587 -258.486 -211.515 # jumping subtree containing (T0187)G125 jump= 0.806352 -0.190019 0.208336 -0.51989 136.75 2.82208 -38.607 # jumping subtree containing (T0187)S126 jump= -0.121781 -0.985521 0.117965 -0.00166514 -8.5749 -89.8108 -599.969 # jumping subtree containing (T0187)Q142 jump= 0.928351 0.0653723 -0.0923522 -0.354064 -93.3943 -55.285 -10.3064 # jumping subtree containing (T0187)A147 jump= -0.19472 0.648411 -0.61103 0.41023 219.712 -105.426 -506.738 # jumping subtree containing (T0187)A147 jump= 0.0514832 0.451722 -0.111814 0.883625 193.439 -30.3438 -119.112 # jumping subtree containing (T0187)S126 jump= 0.864464 0.203691 -0.253249 -0.383505 -226.885 -63.6888 -63.9417 # jumping subtree containing (T0187)A147 jump= 0.993876 0.0213025 -0.0838282 -0.0687705 -47.6394 -0.889028 -18.4136 # jumping subtree containing (T0187)A49 jump= 0.243996 0.786296 -0.36368 0.435822 158.54 -222.497 -478.089 # jumping subtree containing (T0187)E113 jump= -0.841018 0.0694767 -0.381041 -0.377716 147.937 161.137 -117.669 # jumping subtree containing (T0187)A49 jump= 0.057526 -0.470953 0.658287 -0.584424 169.635 -267.315 -430.676 # jumping subtree containing (T0187)A88 jump= -0.701907 0.0593719 -0.701687 -0.10694 303.07 91.82 -381.142 # generation 136: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9569 cost/residue, 311 clashes 0.143646 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 78 ## TwoFragment 16 ## CrossOver 67 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1220 ## OptSubtree 2121 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.075799 0.188947 0.889513 0.409047 46.159 255.84 -578.154 # jumping subtree containing (T0187)P24 jump= 0.435757 -0.528309 0.634124 0.359014 17.7556 295.404 -509.152 # jumping subtree containing (T0187)A147 jump= -0.965802 0.0325537 0.111648 0.231736 -77.3007 16.1738 -3.1417 # jumping subtree containing (T0187)A88 jump= 0.511354 -0.120692 0.0899195 0.846088 -106.995 130.07 -47.27 # jumping subtree containing (T0187)A147 jump= 0.0565341 0.783601 -0.412427 -0.461169 -289.507 80.6687 -554.701 # jumping subtree containing (T0187)R39 jump= 0.974002 0.023651 0.162447 -0.156113 122.044 -46.6897 -33.2944 # jumping subtree containing (T0187)P24 jump= 0.431072 -0.729235 -0.0505852 0.528994 -269.447 232.174 -386.714 # jumping subtree containing (T0187)P24 jump= 0.869163 0.433588 0.237815 -0.000476848 137.617 -251.725 -164.941 # generation 137: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.933 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 67 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1225 ## OptSubtree 2139 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.999717 0.02089 -0.00362716 0.010811 21.8321 16.1467 6.87598 # jumping subtree containing (T0187)A147 jump= 0.824007 0.275217 -0.448328 0.210406 -212.616 -215.153 -137.181 # jumping subtree containing (T0187)P24 jump= 0.866873 0.405066 0.075025 0.280756 96.7506 -196 -116.566 # jumping subtree containing (T0187)M1 jump= -0.961195 -0.262397 0.0508507 0.0683058 -35.8996 -156.749 -42.3577 # jumping subtree containing (T0187)L107 jump= 0.405158 0.422775 -0.0854951 -0.806101 -324.151 -94.3423 -156.72 # jumping subtree containing (T0187)P24 jump= -0.928614 0.308708 -0.162018 0.126988 120.064 183 -87.2822 # jumping subtree containing (T0187)A21 jump= 0.968929 -0.0862724 0.231442 -0.0129524 140.876 35.845 -39.6788 # jumping subtree containing (T0187)Q142 jump= 0.13837 0.0729912 0.689595 0.707096 36.9876 378.574 -348.99 # Removing break moved up 3 to before 144 # jumping subtree containing (T0187)A147 jump= 0.625992 0.318622 -0.459371 -0.543684 -357.433 -5.17144 -233.32 # jumping subtree containing (T0187)A88 jump= -0.242302 0.295134 0.679412 -0.626566 -298.808 -223.223 -385.653 # jumping subtree containing (T0187)M1 jump= -0.372871 0.209149 0.350568 0.833262 -41.8909 267.553 -108.641 # jumping subtree containing (T0187)A147 jump= 0.806538 0.29706 0.266734 0.436011 233.224 -33.466 -128.505 # jumping subtree containing (T0187)L107 jump= -0.919116 -0.0776567 -0.334203 -0.19366 195.772 2.02872 -121.593 # generation 138: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.933 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 67 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1235 ## OptSubtree 2153 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.554128 -0.278743 -0.690294 0.372477 -383.506 -26.7815 -316.008 # jumping subtree containing (T0187)D38 jump= 0.735706 -0.395869 -0.450819 0.314304 -345.819 137.674 -231.637 # jumping subtree containing (T0187)A88 jump= -0.745789 0.648729 -0.0155967 -0.150683 -69.2406 331.012 -302.781 # jumping subtree containing (T0187)A147 jump= -0.326011 -0.87876 0.31564 0.147879 -149.379 -182.206 -615.894 # jumping subtree containing (T0187)A147 jump= -0.750666 -0.60389 0.238198 -0.1228 -63.5457 -303.024 -286.394 # jumping subtree containing (T0187)A49 jump= 0.929349 -0.265386 0.10982 -0.231992 129.552 138.98 -44.8518 # jumping subtree containing (T0187)P24 jump= -0.747565 0.14104 0.147977 0.631947 -47.3548 103.794 -26.897 # jumping subtree containing (T0187)A147 jump= -0.660433 0.240085 0.711468 0.000771227 -358.572 143.945 -332.472 # jumping subtree containing (T0187)S126 jump= -0.970441 0.00499374 0.16851 -0.172695 -114.811 -25.6342 -30.0466 # jumping subtree containing (T0187)A88 jump= -0.927085 -0.328215 0.121471 -0.134287 -49.8457 -192.688 -71.2335 # generation 139: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.933 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 67 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1246 ## OptSubtree 2176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.579892 -0.254929 -0.16339 -0.756333 123.363 92.2932 -67.0153 # jumping subtree containing (T0187)A147 jump= 0.559721 0.498903 -0.331508 0.572635 36.5071 -318.362 -191.534 # jumping subtree containing (T0187)P24 jump= -0.334904 0.526027 -0.518995 -0.584618 -127.984 302.042 -391.245 # jumping subtree containing (T0187)A147 jump= 0.882504 -0.297525 -0.10404 -0.349059 5.97075 161.603 -47.7941 # jumping subtree containing (T0187)L107 jump= 0.112268 -0.855798 0.257822 0.434204 -241.154 164.426 -601.361 # jumping subtree containing (T0187)A147 jump= -0.121775 -0.478931 -0.743184 -0.451081 142.065 237.694 -530.424 # jumping subtree containing (T0187)S126 jump= 0.636036 0.261105 0.696971 0.20375 293.407 -11.154 -418.524 # jumping subtree containing (T0187)A88 jump= 0.191928 -0.0507036 0.684185 0.701772 -42.0127 358.67 -355.824 # jumping subtree containing (T0187)P79 jump= -0.773486 0.474031 -0.417451 0.0524226 231.351 226.753 -264.838 # jumping subtree containing (T0187)A49 jump= 0.0409815 0.57328 -0.72042 0.388156 79.1307 -221.909 -542.441 # jumping subtree containing (T0187)A147 jump= -0.738567 -0.372779 0.0129732 0.561593 -193.139 -197.086 -95.4906 # jumping subtree containing (T0187)A88 jump= -0.335293 0.879194 0.300325 0.156209 -4.22926 273.31 -597.48 # jumping subtree containing (T0187)A147 jump= -0.298339 -0.208781 -0.329187 0.871229 -145.213 -210.105 -104.451 # jumping subtree containing (T0187)K143 jump= -0.717593 -0.464144 0.253329 0.453272 -291.587 -194.966 -229.89 # jumping subtree containing (T0187)P24 jump= -0.987159 0.0147079 0.0423927 -0.153309 -37.2807 23.8123 13.0425 # generation 140: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9328 cost/residue, 310 clashes 0.140571 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 68 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1251 ## OptSubtree 2194 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.976688 -0.0512854 -0.0985902 -0.18366 57.5799 -22.1421 -7.33853 # jumping subtree containing (T0187)S146 jump= 0.056145 -0.601051 -0.0982053 0.791165 -386.531 -32.9801 -308.439 # jumping subtree containing (T0187)P24 jump= -0.916189 0.190644 -0.351237 -0.0297549 210.41 117.232 -149.261 # jumping subtree containing (T0187)A147 jump= 0.957106 0.0108262 -0.138681 -0.254163 -89.9231 1.25402 5.17444 # jumping subtree containing (T0187)A88 jump= -0.123125 0.74224 0.0471714 0.657035 330.984 84.2717 -406.525 # jumping subtree containing (T0187)A88 jump= -0.958552 0.234813 -0.155304 -0.0438293 116.152 168.827 -72.0486 # jumping subtree containing (T0187)A49 jump= 0.336158 0.00346766 -0.260761 -0.90498 -113.8 83.6779 -34.5033 # generation 141: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9321 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 68 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1253 ## OptSubtree 2216 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S146 jump= -0.989774 -0.126879 0.0101343 0.0643866 13.6583 -98.0985 -7.5173 # jumping subtree containing (T0187)P24 jump= 0.730922 -0.163297 -0.629992 -0.205418 -369.297 192.429 -279.765 # jumping subtree containing (T0187)P24 jump= 0.85763 -0.178613 -0.374498 -0.30384 -202.419 172.23 -119.614 # jumping subtree containing (T0187)A147 jump= -0.99515 0.031499 0.0244344 -0.0899245 -22.0966 2.25205 -12.4335 # jumping subtree containing (T0187)T97 jump= -0.991192 -0.132387 -0.00244216 0.00248445 -15.1179 -80.0114 -8.23707 # jumping subtree containing (T0187)P24 jump= 0.310872 -0.622607 -0.312553 0.646552 -378.482 61.938 -364.67 # generation 142: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9311 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1256 ## OptSubtree 2236 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.48323 0.700159 0.289941 -0.438406 -338.14 169.505 -441.047 # jumping subtree containing (T0187)A88 jump= 0.00694214 0.703972 0.699364 0.123551 7.34977 133.009 -689.178 # jumping subtree containing (T0187)A147 jump= 0.110764 -0.367819 -0.0863964 0.919226 -295.8 14.6582 -106.896 # jumping subtree containing (T0187)A147 jump= 0.686297 0.191832 0.221549 -0.665667 -63.6076 -219.086 -66.1046 # jumping subtree containing (T0187)P24 jump= 0.995866 0.0677265 -0.054654 -0.0260318 -30.2771 -25.2179 16.7334 # jumping subtree containing (T0187)A49 jump= 0.845456 0.329548 0.0864134 -0.411261 -49.8937 -288.06 -120.243 # jumping subtree containing (T0187)P24 jump= -0.115997 -0.215919 -0.761431 0.600123 -48.4646 -365.885 -501.611 # generation 143: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.9311 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1262 ## OptSubtree 2254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.875734 -0.418863 -0.193155 0.142598 -210.328 260.892 -167.959 # jumping subtree containing (T0187)A88 jump= 0.408073 -0.00835855 0.484819 0.773536 113.226 266.766 -178.17 # jumping subtree containing (T0187)P24 jump= 0.985696 0.0539368 -0.131652 0.0903404 -79.7148 -21.2278 13.2579 # jumping subtree containing (T0187)P24 jump= -0.872122 -0.0796918 -0.395505 -0.276817 279.566 38.2841 -139.074 # jumping subtree containing (T0187)P24 jump= 0.981724 0.155847 0.105003 -0.0300719 74.1218 -83.3472 -13.9695 # jumping subtree containing (T0187)P24 jump= -0.793269 -0.260124 0.196204 -0.514358 -31.2179 -222.147 -66.9172 # jumping subtree containing (T0187)P24 jump= -0.754957 -0.382672 -0.451126 0.282997 155.484 -333.296 -318.172 # jumping subtree containing (T0187)A147 jump= 0.555473 -0.151684 -0.817576 -0.00335583 -342.299 80.2026 -491.295 # jumping subtree containing (T0187)M1 jump= 0.752627 -0.357659 -0.224009 0.505423 -293.359 158.451 -135.101 # generation 144: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.929 cost/residue, 310 clashes 0.140571 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1273 ## OptSubtree 2267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)Y57 jump= 0.298496 -0.522311 0.209352 0.770885 -245.025 211.017 -252.175 # jumping subtree containing (T0187)A147 jump= -0.925559 -0.361886 0.0650692 0.0902439 -76.1154 -261.823 -117.965 # jumping subtree containing (T0187)A88 jump= 0.983574 0.152246 -0.0683488 -0.0687933 -40.7153 -108.033 -38.1679 # jumping subtree containing (T0187)A88 jump= -0.663727 -0.0855652 -0.0131234 0.742949 -94.6746 -15.0647 14.3599 # jumping subtree containing (T0187)P24 jump= 0.995329 0.0332052 -0.0590841 -0.0687437 -41.3683 -36.5968 -15.7812 # jumping subtree containing (T0187)T97 jump= 0.734516 0.329306 0.0774137 -0.588261 -132.596 -234.431 -120.136 # generation 145: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.929 cost/residue, 310 clashes 0.140571 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1277 ## OptSubtree 2287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.924536 0.297319 -0.0404037 0.23495 19.2456 -179.552 -71.7665 # jumping subtree containing (T0187)A147 jump= 0.94276 -0.0464567 0.184215 -0.274061 135.309 6.63436 -11.5027 # jumping subtree containing (T0187)A147 jump= -0.306783 0.913343 -0.114477 -0.242042 -151.811 256.819 -648.87 # jumping subtree containing (T0187)P24 jump= -0.963386 0.0630105 0.260336 -0.0119453 -184.234 48.2299 -74.4919 # jumping subtree containing (T0187)Y57 jump= 0.713595 -0.324887 0.583773 0.210809 228.622 258.504 -364.59 # jumping subtree containing (T0187)E113 jump= 0.310887 -0.866098 -0.156439 -0.358818 186.602 262.233 -595.652 # jumping subtree containing (T0187)A147 jump= -0.426141 0.357786 0.109917 -0.823596 -291.488 100.647 -103.582 # jumping subtree containing (T0187)P24 jump= 0.483213 0.0354969 0.826618 -0.286265 218.714 -199.699 -519.922 # jumping subtree containing (T0187)P24 jump= 0.133739 0.242008 0.874949 -0.397506 15.4713 -309.519 -657.168 # jumping subtree containing (T0187)A88 jump= -0.923365 0.135321 -0.153673 -0.324761 59.5142 155.754 -27.7884 # generation 146: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.929 cost/residue, 310 clashes 0.140571 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1283 ## OptSubtree 2305 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.0236318 -0.807944 0.547553 0.216458 -158.991 48.5705 -783.417 # jumping subtree containing (T0187)A147 jump= -0.60717 0.47962 -0.384406 0.503528 336.67 106.92 -270.631 # jumping subtree containing (T0187)T97 jump= -0.738209 0.641123 -0.130566 -0.164199 -40.0501 377.014 -341.428 # jumping subtree containing (T0187)A88 jump= 0.905679 0.403269 -0.127763 -0.0282119 -96.5024 -257.556 -133.156 # jumping subtree containing (T0187)S126 jump= -0.930514 0.181442 -0.101597 -0.301499 18.3977 193.275 -70.7854 # generation 147: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.929 cost/residue, 310 clashes 0.140571 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1290 ## OptSubtree 2322 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.245107 -0.870718 -0.138637 0.403178 -251.73 80.8266 -568.283 # jumping subtree containing (T0187)A147 jump= -0.967147 -0.00855962 -0.200953 0.155469 163.19 -10.9885 -26.7553 # jumping subtree containing (T0187)S126 jump= 0.00666933 0.717614 -0.678545 -0.156723 -93.7004 81.6567 -742.265 # jumping subtree containing (T0187)P24 jump= -0.737727 0.439361 0.180017 0.47991 56.2238 314.033 -185.048 # jumping subtree containing (T0187)A147 jump= -0.380789 0.387593 -0.80059 0.252641 322.535 -23.8649 -608.217 # jumping subtree containing (T0187)E134 jump= 0.088566 -0.151618 0.449451 -0.875877 24.526 -370.486 -205.756 # jumping subtree containing (T0187)S137 jump= -0.903501 -0.274358 0.192905 0.266837 -176.928 -142.761 -103.77 # jumping subtree containing (T0187)P24 jump= 0.595628 0.714275 -0.301009 0.210789 -12.6607 -330.729 -441.093 # jumping subtree containing (T0187)E84 jump= 0.453637 -0.687184 0.478258 0.305386 -34.9159 302.304 -539.862 # jumping subtree containing (T0187)S126 jump= -0.575526 -0.339218 0.24665 0.702043 -359.624 -93.9431 -138.841 # generation 148: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.929 cost/residue, 310 clashes 0.140571 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1295 ## OptSubtree 2341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.920456 -0.037724 0.149247 -0.359253 -99.7692 -82.9555 -32.3246 # jumping subtree containing (T0187)K29 jump= 0.602139 -0.327331 -0.612029 0.394592 -369.171 6.07058 -336.227 # jumping subtree containing (T0187)P24 jump= 0.123726 0.0897466 -0.188101 0.970183 -49.5705 -96.9531 1.65231 # jumping subtree containing (T0187)L42 jump= 0.995648 0.0557368 -0.0646519 -0.0374067 -47.0923 -41.8354 -5.09514 # jumping subtree containing (T0187)A147 jump= 0.713008 0.283504 0.456734 0.450154 367.637 -9.9359 -244.322 # jumping subtree containing (T0187)E113 jump= 0.67865 0.611532 0.27196 -0.302492 12.5853 -340.735 -338.338 # jumping subtree containing (T0187)A49 jump= -0.688769 -0.523968 -0.0574615 0.497747 -184.67 -312.451 -231.835 # jumping subtree containing (T0187)P24 jump= -0.752429 0.423534 0.4812 -0.15138 -339.427 174.27 -278.011 # jumping subtree containing (T0187)A55 jump= -0.995839 -0.0895302 0.0169564 0.00104094 -3.94705 -79.5149 -9.21007 # jumping subtree containing (T0187)P24 jump= -0.915531 -0.208665 -0.310506 0.14781 184.779 -176.005 -155.404 # jumping subtree containing (T0187)Y57 jump= 0.646232 0.65253 0.38994 -0.0673576 198.929 -363.723 -461.987 # jumping subtree containing (T0187)P24 jump= 0.135959 -0.635719 -0.400167 -0.645944 219.981 303.635 -426.017 # jumping subtree containing (T0187)R39 jump= -0.996692 -0.0533082 0.0510756 0.0339935 -50.7859 -25.1012 -8.09195 # jumping subtree containing (T0187)A147 jump= 0.61354 0.0290357 -0.223732 -0.756749 -141.912 112.527 -34.4203 # generation 149: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.929 cost/residue, 310 clashes 0.140571 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1299 ## OptSubtree 2361 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y57 jump= 0.908549 -0.0158397 0.414514 0.0496515 290.823 8.28447 -129.354 # jumping subtree containing (T0187)A147 jump= -0.733083 0.383868 -0.170117 -0.535065 -64.5034 294.073 -136.769 # jumping subtree containing (T0187)A88 jump= 0.6376 0.401828 0.513089 0.41078 329.829 -12.542 -315.662 # jumping subtree containing (T0187)A88 jump= -0.957609 -0.0721838 0.0191063 -0.278227 7.994 -33.8016 4.14161 # jumping subtree containing (T0187)Y57 jump= -0.892103 -0.41815 0.154111 -0.0745135 -62.2333 -294.67 -171.628 # jumping subtree containing (T0187)A49 jump= 0.654631 0.11501 -0.571727 -0.480998 -329.918 140.833 -253.44 # jumping subtree containing (T0187)P24 jump= -0.519294 -0.434756 -0.500064 0.539682 -10.3592 -358.38 -354.516 # jumping subtree containing (T0187)M1 jump= -0.0440909 0.190161 0.122805 0.973044 132.357 126.471 -54.6729 # jumping subtree containing (T0187)S126 jump= -0.358726 0.306367 0.0618944 0.879559 100.376 161.215 -49.9663 # jumping subtree containing (T0187)A49 jump= -0.513403 0.00642938 -0.780785 0.35602 396.514 -230.313 -476.928 # generation 150: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.927 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1305 ## OptSubtree 2379 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= -0.954267 0.0229645 0.289242 0.0720163 -207.567 49.1583 -46.9401 # jumping subtree containing (T0187)A88 jump= -0.985789 -0.151924 0.0703399 -0.0138555 -57.2903 -130.086 -51.1364 # jumping subtree containing (T0187)P24 jump= 0.982027 -0.104826 -0.155797 -0.0190402 -134.444 68.6017 -20.2453 # jumping subtree containing (T0187)R39 jump= -0.590779 0.693234 -0.355716 0.209458 273.169 308.456 -415.014 # jumping subtree containing (T0187)P24 jump= -0.122619 -0.349211 0.0796948 -0.925562 331.935 -71.4588 -129.237 # jumping subtree containing (T0187)R39 jump= -0.748384 0.352441 -0.353351 -0.436863 105.39 336.822 -189.42 # jumping subtree containing (T0187)A49 jump= -0.999939 -0.00133892 0.0067474 0.00862443 -16.2308 12.3981 -13.8951 # jumping subtree containing (T0187)L107 jump= -0.586912 -0.370357 -0.61678 -0.371419 352.533 52.9844 -408.207 # jumping subtree containing (T0187)E140 jump= -0.941972 0.0585882 -0.112929 -0.310649 94.4474 80.6962 -23.6856 # generation 151: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.927 cost/residue, 310 clashes 0.14057 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1310 ## OptSubtree 2398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A88 jump= 0.859949 -0.327523 -0.169251 0.352945 -201.626 209.006 -77.9977 # jumping subtree containing (T0187)A147 jump= -0.956682 0.207923 -0.193793 -0.0630214 158.468 183.175 -36.5929 # jumping subtree containing (T0187)A147 jump= 0.0810474 0.164655 0.285548 -0.940629 -46.0028 -225.97 -59.6138 # jumping subtree containing (T0187)A147 jump= 0.870064 0.309838 -0.138245 -0.3576 -202.927 -196.55 -116.942 # jumping subtree containing (T0187)A147 jump= 0.792467 -0.480976 0.332083 0.174295 150.929 347.758 -271.152 # jumping subtree containing (T0187)P24 jump= -0.999433 -0.00883939 0.00409169 -0.032229 3.37318 -3.00511 -1.35943 # jumping subtree containing (T0187)G78 jump= -0.989193 -0.0556218 0.0907103 -0.100871 -72.1928 -39.6294 2.03167 # jumping subtree containing (T0187)A147 jump= -0.996387 -0.0386125 0.0537389 0.0532291 -46.8274 1.46581 -3.55933 # jumping subtree containing (T0187)Y57 jump= 0.846847 0.487441 -0.170781 -0.126825 -194.298 -318.142 -209.086 # jumping subtree containing (T0187)A49 jump= 0.60896 0.426866 0.665598 0.062711 261.46 -147.574 -525.508 # jumping subtree containing (T0187)P24 jump= -0.805785 -0.584871 0.0305721 0.0877629 -74.7882 -314.594 -264.133 # jumping subtree containing (T0187)P24 jump= 0.790687 0.179579 -0.468761 -0.350468 -340.264 39.9598 -238.168 # generation 152: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6768 cost/residue, 364 clashes 0.134826 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1316 ## OptSubtree 2415 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.836723 -0.532108 0.116123 -0.0571955 114.029 344.631 -201.842 # jumping subtree containing (T0187)L107 jump= -0.214932 -0.95846 -0.162769 -0.0930887 98.233 -123.953 -738.966 # jumping subtree containing (T0187)A49 jump= -0.233637 0.514497 0.723134 0.397219 81.9326 322.466 -664.012 # jumping subtree containing (T0187)A49 jump= -0.667968 -0.0784949 0.61469 0.412084 -362.999 149.004 -277.969 # jumping subtree containing (T0187)K143 jump= 0.849728 -0.39804 -0.0573335 -0.340938 21.9856 259.634 -95.1432 # jumping subtree containing (T0187)A49 jump= -0.996207 -0.0481441 -0.0702007 0.0180265 57.4302 -12.9295 -3.56428 # generation 153: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6768 cost/residue, 364 clashes 0.134826 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1324 ## OptSubtree 2431 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.992433 -0.000870127 -0.117016 0.0371872 -80.9109 -15.0308 8.76668 # jumping subtree containing (T0187)P24 jump= -0.613183 0.318186 -0.529779 0.492036 365.677 -50.156 -275.002 # jumping subtree containing (T0187)K143 jump= -0.819432 0.0466541 -0.321031 0.47254 201.718 -80.3772 -79.8446 # jumping subtree containing (T0187)P24 jump= -0.574164 -0.373619 -0.0816506 0.723932 -197.197 -175.649 -106.851 # jumping subtree containing (T0187)A147 jump= 0.616499 0.404972 -0.448276 0.504951 -40.7606 -334.546 -268.328 # jumping subtree containing (T0187)P24 jump= -0.827909 0.12796 -0.299976 0.456297 184.601 -6.72574 -77.5146 # jumping subtree containing (T0187)A147 jump= 0.237157 -0.712643 -0.648423 -0.124276 -85.1953 191.66 -705.041 # jumping subtree containing (T0187)A88 jump= -0.79688 -0.447673 -0.341182 0.219467 142.053 -331.781 -253.628 # jumping subtree containing (T0187)P24 jump= -0.857836 -0.0538186 -0.204039 0.468604 98.9607 -115.93 -52.0454 # generation 154: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6768 cost/residue, 364 clashes 0.134826 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 69 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1337 ## OptSubtree 2452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A55 jump= 0.992415 -0.09074 -0.0402922 0.0724897 -34.2187 55.9235 18.1456 # jumping subtree containing (T0187)L42 jump= 0.967886 0.0315662 -0.234163 -0.0858396 -164.142 -3.0955 -40.3758 # jumping subtree containing (T0187)P24 jump= -0.999873 -0.00218884 0.0129165 0.00906802 -11.7988 3.72582 23.982 # jumping subtree containing (T0187)P24 jump= 0.19459 0.875081 0.33093 0.294707 236.763 -28.3484 -667.112 # jumping subtree containing (T0187)I19 jump= -0.176529 -0.15392 0.540065 -0.808379 10.9717 -307.055 -209.504 # jumping subtree containing (T0187)A49 jump= -0.255863 -0.280639 0.161215 -0.910926 173.487 -122.674 -61.7689 # jumping subtree containing (T0187)R39 jump= 0.353546 -0.480951 -0.648526 -0.472339 -30.7137 392.652 -507.08 # jumping subtree containing (T0187)P24 jump= -0.89941 0.424142 0.022708 0.103197 22.1916 277.077 -112.564 # jumping subtree containing (T0187)Y57 jump= 0.132135 -0.706996 0.140145 0.680483 -339.142 144.41 -394.924 # jumping subtree containing (T0187)A49 jump= 0.378338 0.687733 0.445316 -0.430788 -114.035 -316.594 -535.226 # jumping subtree containing (T0187)A49 jump= 0.0698328 0.378947 -0.824491 -0.414412 -172.623 230.893 -625.327 # jumping subtree containing (T0187)A49 jump= -0.943646 0.250532 0.193653 -0.0962469 -157.417 176.489 -70.926 # generation 155: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6768 cost/residue, 364 clashes 0.134826 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 70 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1343 ## OptSubtree 2469 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I19 jump= -0.419191 0.0854907 -0.88709 0.173325 267.565 -84.9257 -576.877 # jumping subtree containing (T0187)P24 jump= 0.562255 0.178408 -0.657706 0.468469 -206.498 -313.517 -336.177 # jumping subtree containing (T0187)K29 jump= -0.35415 0.178027 0.75978 0.515382 -155.391 371.774 -445.043 # jumping subtree containing (T0187)P24 jump= 0.975643 0.166266 0.0902374 -0.111061 39.905 -146.312 -40.4572 # jumping subtree containing (T0187)T97 jump= -0.123609 -0.0147056 -0.585936 -0.800739 78.004 397.259 -270.356 # generation 156: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6765 cost/residue, 364 clashes 0.134827 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 79 ## TwoFragment 16 ## CrossOver 70 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1346 ## OptSubtree 2490 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R39 jump= 0.795308 0.326075 0.506782 0.0658193 371.656 -184.167 -263.916 # jumping subtree containing (T0187)P24 jump= 0.0259311 0.664847 -0.411283 -0.623019 -343.579 244.403 -503.799 # jumping subtree containing (T0187)S126 jump= 0.811073 -0.272749 0.00164287 0.517461 -94.7135 169.159 -78.5449 # jumping subtree containing (T0187)P24 jump= 0.791944 0.382573 -0.471334 -0.0656333 -292.412 -181.863 -279.967 # jumping subtree containing (T0187)P24 jump= 0.817321 0.0736585 0.0953866 0.563437 98.6014 8.88423 -40.3142 # jumping subtree containing (T0187)S126 jump= 0.927252 0.213194 0.109905 -0.28753 20.1084 -197.334 -45.637 # jumping subtree containing (T0187)Y57 jump= 0.212283 0.0634762 -0.973085 0.0633462 -156.167 -67.2896 -694.699 # jumping subtree containing (T0187)P24 jump= 0.726675 0.264597 -0.424287 0.471075 -126.838 -295.358 -162.423 # generation 157: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6765 cost/residue, 364 clashes 0.134827 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 80 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1355 ## OptSubtree 2503 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.0206363 -0.785422 -0.561267 -0.260126 146.762 133.035 -715.211 # jumping subtree containing (T0187)P24 jump= -0.32526 -0.451141 0.825948 -0.0921228 -108.175 -153.207 -656.916 # jumping subtree containing (T0187)P91 jump= -0.475948 -0.674213 0.498703 0.264963 -305.195 -119.633 -518.757 # jumping subtree containing (T0187)G61 jump= -0.633141 0.0687938 -0.7661 -0.0865499 374.694 103.144 -500.358 # jumping subtree containing (T0187)S126 jump= 0.749643 0.0183869 -0.54096 0.380867 -299.007 -159.949 -193.82 # jumping subtree containing (T0187)I80 jump= -0.68078 -0.727589 0.0225956 0.0815022 -59.0653 -352.05 -431.264 # jumping subtree containing (T0187)P24 jump= -0.285337 -0.886313 -0.244158 0.270961 -129.863 -231.535 -629.578 # generation 158: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6765 cost/residue, 364 clashes 0.134827 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 80 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1362 ## OptSubtree 2520 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.273226 0.320344 0.715452 0.557545 250.587 237.819 -457.495 # jumping subtree containing (T0187)A21 jump= -0.881118 -0.256925 0.122814 -0.37754 3.74949 -181.414 -42.8775 # jumping subtree containing (T0187)R39 jump= 0.976352 -0.173934 0.106507 -0.0716953 79.1621 130.993 -16.4946 # jumping subtree containing (T0187)P24 jump= 0.288224 -0.65476 -0.60195 0.354786 -324.072 21.1942 -610.449 # jumping subtree containing (T0187)P24 jump= -0.981676 0.0571347 0.0146212 -0.181202 -29.0443 58.7749 17.1473 # jumping subtree containing (T0187)P24 jump= 0.991986 -0.0371548 0.10042 0.0670779 55.7527 38.5536 -28.44 # jumping subtree containing (T0187)I80 jump= -0.402969 0.665395 -0.364415 -0.511925 -134.675 379.211 -423.777 # generation 159: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6765 cost/residue, 364 clashes 0.134827 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 80 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1365 ## OptSubtree 2541 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.673786 0.461225 0.181691 0.547971 281.256 -127 -214.862 # jumping subtree containing (T0187)A147 jump= 0.257728 0.91762 -0.127015 -0.274622 -220.229 -122.594 -658.127 # jumping subtree containing (T0187)P24 jump= -0.181351 0.955568 0.209095 0.101397 21.5495 183.677 -738.571 # jumping subtree containing (T0187)M1 jump= 0.50125 0.38913 -0.727859 0.259899 -193.123 -309.987 -518.358 # jumping subtree containing (T0187)S126 jump= 0.591954 -0.726423 0.23557 0.257694 -24.8302 382.155 -451.576 # jumping subtree containing (T0187)P24 jump= 0.841398 -0.155984 -0.413422 0.311128 -316.742 20.4126 -103.144 # jumping subtree containing (T0187)L107 jump= 0.959688 -0.15362 0.202991 0.119144 156.988 129.822 -25.6449 # jumping subtree containing (T0187)P24 jump= 0.0930305 -0.124656 0.748724 -0.644374 92.1308 -380.624 -434.851 # generation 160: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6465 cost/residue, 362 clashes 0.139753 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 80 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1366 ## OptSubtree 2563 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.680343 0.673309 -0.142479 0.251966 192.402 340.934 -338.721 # jumping subtree containing (T0187)P24 jump= 0.37643 0.17057 0.884556 -0.216256 195.956 -212.596 -617.08 # jumping subtree containing (T0187)P24 jump= -0.668006 0.175284 0.321651 -0.647753 -230.965 -50.4982 -89.1351 # jumping subtree containing (T0187)S126 jump= -0.156823 -0.958383 0.196787 -0.134843 72.2685 -75.2186 -726.849 # jumping subtree containing (T0187)P24 jump= -0.997172 0.0330576 0.0359189 0.0571369 -43.7755 26.8253 1.96622 # jumping subtree containing (T0187)E113 jump= -0.310672 0.662181 0.680018 0.0507453 -137.866 187.042 -666.048 # jumping subtree containing (T0187)P24 jump= 0.95391 0.0457359 0.281979 0.0919327 219.257 -3.56376 -93.7032 # jumping subtree containing (T0187)S126 jump= 0.7929 0.240508 -0.273245 0.488674 -47.542 -197.636 -89.6031 # jumping subtree containing (T0187)A49 jump= -0.1988 0.417061 -0.870515 0.169535 151.799 -55.282 -707.501 # jumping subtree containing (T0187)K143 jump= -0.748802 0.224369 -0.498442 -0.374845 224.155 272.031 -216.99 # jumping subtree containing (T0187)A49 jump= 0.630223 -0.365645 -0.245471 0.639426 -324.326 101.936 -142.294 # jumping subtree containing (T0187)P24 jump= 0.0175971 0.774507 -0.110518 -0.622587 -397.999 67.4686 -485.3 # jumping subtree containing (T0187)P24 jump= -0.673448 0.436237 0.234941 0.548605 21.9818 343.64 -147.276 # jumping subtree containing (T0187)G61 jump= -0.998294 0.0322165 -0.0389291 -0.0292458 38.3405 16.8566 19.3777 # generation 161: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.6465 cost/residue, 362 clashes 0.139753 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 80 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1376 ## OptSubtree 2579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.275218 -0.299109 0.563465 0.719233 -344.676 282.789 -345.959 # jumping subtree containing (T0187)P24 jump= 0.820996 0.0688923 -0.389495 -0.41172 -278.963 69.2704 -91.543 # Removing break before 112 # jumping subtree containing (T0187)R39 jump= 0.729291 -0.459741 -0.499348 0.0861636 -335.075 237.557 -277.006 # jumping subtree containing (T0187)P24 jump= 0.524939 -0.387253 0.127374 0.747161 -152.861 280.011 -143.506 # jumping subtree containing (T0187)P24 jump= 0.433192 -0.432554 -0.790565 -0.015765 -309.788 201.772 -625.167 # jumping subtree containing (T0187)P24 jump= -0.91412 -0.269606 0.232039 -0.194564 -123.372 -237.844 -88.2813 # generation 162: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.588 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1383 ## OptSubtree 2602 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.974082 -0.152657 -0.061159 -0.155306 -55.8403 117.006 -4.29763 # jumping subtree containing (T0187)E113 jump= -0.0409977 0.359661 0.155727 0.919082 271.22 96.498 -131.519 # jumping subtree containing (T0187)P24 jump= -0.689805 -0.554802 0.267961 -0.380211 8.03325 -362.647 -313.235 # jumping subtree containing (T0187)P24 jump= -0.819203 -0.0831592 0.461635 -0.329975 -250.91 -152.612 -143.826 # jumping subtree containing (T0187)P91 jump= -0.763435 0.239757 -0.54637 0.247313 339.366 40.4776 -300.665 # jumping subtree containing (T0187)A49 jump= 0.926796 -0.297072 -0.12863 0.1904 -140.277 209.882 -59.7424 # jumping subtree containing (T0187)K29 jump= -0.491484 0.309829 0.167836 0.796417 109.071 237.952 -111.881 # Removing break before 112 # jumping subtree containing (T0187)P24 jump= 0.886204 -0.314724 -0.0751322 -0.331581 11.6903 249.025 -57.911 # generation 163: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.588 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1384 ## OptSubtree 2626 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.393349 0.321633 0.666175 0.54593 309.156 203.954 -478.071 # jumping subtree containing (T0187)P24 jump= -0.841213 -0.397436 -0.0954713 0.353963 -75.7444 -295.422 -127.741 # jumping subtree containing (T0187)A147 jump= 0.480067 0.825457 0.276157 0.109059 157.367 -253.088 -603.917 # jumping subtree containing (T0187)Y57 jump= -0.228729 0.281523 0.912894 0.187221 -143.831 181.909 -727.632 # jumping subtree containing (T0187)R39 jump= -0.92574 0.0902197 -0.2246 0.290554 191.244 3.91733 -21.3172 # jumping subtree containing (T0187)P91 jump= 0.893053 -0.126375 0.271729 -0.335632 209.423 19.6132 -43.9056 # jumping subtree containing (T0187)S126 jump= -0.597618 0.749095 -0.272752 -0.0855332 65.5718 376.115 -452.002 # jumping subtree containing (T0187)S126 jump= -0.0662522 -0.0574807 0.787215 -0.610409 -43.3366 -340.038 -436.213 # jumping subtree containing (T0187)A147 jump= -0.550245 0.314289 -0.68551 0.358509 362.457 -90.353 -454.412 # jumping subtree containing (T0187)M1 jump= 0.861643 -0.0974272 0.194063 0.458715 92.9894 100.982 -39.95 # jumping subtree containing (T0187)Y57 jump= 0.78271 -0.144914 0.457095 -0.396774 341.378 -31.6029 -169.278 # jumping subtree containing (T0187)P91 jump= -0.987238 -0.0190772 -0.0134306 -0.157535 9.10534 -24.6907 -5.9555 # jumping subtree containing (T0187)G78 jump= 0.0761857 0.248709 -0.907398 -0.330104 -158.326 212.534 -688.044 # jumping subtree containing (T0187)P24 jump= -0.981764 -0.11378 -0.0617572 -0.139214 74.6057 -84.1393 4.96347 # jumping subtree containing (T0187)Y73 jump= 0.97744 -0.0430367 -0.0784685 -0.191317 -48.3645 22.6633 15.3609 # generation 164: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.588 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1393 ## OptSubtree 2650 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.995608 -0.0922389 -0.0159017 0.0018805 34.919 -72.3878 6.41165 # jumping subtree containing (T0187)P24 jump= -0.135211 -0.70304 0.190176 -0.671778 365.775 -131.227 -386.806 # jumping subtree containing (T0187)S126 jump= 0.969042 0.204157 0.0178815 -0.137688 -12.9612 -138.717 -14.3052 # jumping subtree containing (T0187)Y57 jump= 0.739523 -0.10106 -0.183289 0.639764 -170.666 -35.8025 -19.6599 # jumping subtree containing (T0187)L107 jump= -0.291017 0.316866 -0.834549 -0.344142 87.8527 297.074 -639.446 # jumping subtree containing (T0187)P24 jump= 0.957733 0.0880411 -0.193914 -0.193372 -158.489 -57.4678 -40.0193 # jumping subtree containing (T0187)A147 jump= 0.462835 -0.188594 0.352691 0.791092 1.67845 304.637 -109.765 # jumping subtree containing (T0187)A147 jump= 0.297279 0.0104883 -0.817846 0.492589 -184.561 -277.969 -507.017 # jumping subtree containing (T0187)P24 jump= 0.719955 -0.416223 -0.53658 0.143195 -368.732 173.572 -316.69 # jumping subtree containing (T0187)P24 jump= -0.550414 -0.59962 0.227141 0.534703 -376.262 -137.222 -330.7 # jumping subtree containing (T0187)P91 jump= 0.999998 0.000456557 -0.00075022 0.00201216 15.8538 -5.40738 -21.9429 # generation 165: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.588 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1401 ## OptSubtree 2666 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.270201 -0.0677164 -0.959247 -0.0474524 139.825 31.3928 -709.51 # jumping subtree containing (T0187)Y73 jump= 0.842792 -0.0530656 -0.496617 0.200643 -339.129 -46.9205 -200.891 # jumping subtree containing (T0187)P24 jump= 0.222655 -0.0811721 0.424076 0.874069 10.0081 339.532 -183.424 # jumping subtree containing (T0187)L107 jump= -0.787309 0.308174 0.0744734 -0.528797 -178.242 144.575 -79.4453 # jumping subtree containing (T0187)P24 jump= 0.699795 0.118186 -0.200514 0.675362 -16.1867 -135.054 -52.1226 # jumping subtree containing (T0187)A147 jump= 0.678146 0.204302 -0.609453 -0.356295 -387.97 35.7804 -324.887 # jumping subtree containing (T0187)T97 jump= -0.497238 -0.272589 -0.708513 -0.42007 347.717 160.74 -456.951 # jumping subtree containing (T0187)A147 jump= -0.366273 -0.467334 -0.787354 0.165882 167.918 -239.855 -638.783 # jumping subtree containing (T0187)P91 jump= -0.684267 -0.427641 -0.570515 -0.153021 320.726 -157.61 -387.241 # generation 166: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.588 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1407 ## OptSubtree 2684 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.416392 0.0122304 0.627622 -0.657692 -247.06 -288.682 -282.703 # jumping subtree containing (T0187)A49 jump= 0.843608 0.24964 -0.366366 -0.302955 -302.879 -100.18 -165.064 # jumping subtree containing (T0187)P24 jump= 0.965906 0.14208 -0.212472 0.0411619 -142.874 -114.349 -67.7725 # jumping subtree containing (T0187)P24 jump= 0.452272 0.0802908 0.829327 0.318153 303.602 202.547 -543.639 # jumping subtree containing (T0187)K143 jump= 0.590101 -0.719043 -0.28421 0.232342 -263.397 295.81 -443.854 # jumping subtree containing (T0187)P91 jump= -0.99976 0.0195652 0.0049648 -0.008507 -17.8356 17.5387 -9.24176 # jumping subtree containing (T0187)A147 jump= -0.688296 0.423335 0.575565 0.125544 -286.992 269.928 -371.265 # jumping subtree containing (T0187)P24 jump= -0.00156918 -0.257276 -0.851074 -0.45769 51.2956 295.705 -603.948 # generation 167: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.5875 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1409 ## OptSubtree 2706 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= 0.00962986 0.0585133 0.99645 0.0597601 -38.7153 49.9652 -785.367 # jumping subtree containing (T0187)P24 jump= -0.188642 -0.571205 -0.0250545 0.798443 -389.693 -55.645 -245.451 # jumping subtree containing (T0187)P24 jump= 0.983719 0.165508 -0.0680439 -0.0165491 -51.7913 -116.383 -49.184 # jumping subtree containing (T0187)T97 jump= 0.588631 -0.685352 0.111195 0.414056 -186.844 339.417 -389.054 # jumping subtree containing (T0187)T97 jump= -0.128858 0.418924 -0.455075 0.775116 292.687 -254.955 -332.454 # jumping subtree containing (T0187)P91 jump= -0.21386 0.837447 -0.0309888 0.501983 317.638 121.874 -561.443 # jumping subtree containing (T0187)D81 jump= -0.448412 0.239263 0.821101 -0.259754 -340.411 -56.589 -548.132 # jumping subtree containing (T0187)P24 jump= 0.470926 -0.638454 0.380302 -0.47537 365.871 80.367 -382.78 # Removing break before 23 # jumping subtree containing (T0187)Y57 jump= -0.999096 0.0253962 0.00426311 0.033831 4.95817 43.4046 1.45494 # jumping subtree containing (T0187)Y73 jump= 0.992559 0.0310801 -0.116948 -0.0135896 -77.5411 2.53376 -17.5656 # jumping subtree containing (T0187)Y73 jump= -0.507828 0.231231 -0.0483984 0.828432 164.788 67.8297 -33.3905 # jumping subtree containing (T0187)P24 jump= 0.418297 -0.682678 0.420337 0.42696 -73.4352 399.838 -535.535 # generation 168: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.5875 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1411 ## OptSubtree 2728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.976785 -0.100705 -0.0552884 -0.180812 -29.866 89.3745 -11.3754 # jumping subtree containing (T0187)P24 jump= 0.954466 -0.109519 0.247664 0.125147 177.589 100.744 -63.4248 # jumping subtree containing (T0187)P24 jump= -0.541187 -0.378026 -0.666849 0.345724 141.44 -333.816 -496.567 # jumping subtree containing (T0187)P24 jump= -0.998869 -0.0325474 -0.0322933 -0.0126208 20.9113 -32.1124 0.876513 # jumping subtree containing (T0187)P24 jump= 0.510598 -0.624901 -0.130643 -0.575952 206.415 339.827 -304.809 # jumping subtree containing (T0187)R39 jump= -0.638578 -0.592793 -0.391184 -0.296293 346.468 -183.219 -419.78 # jumping subtree containing (T0187)P24 jump= -0.0419913 0.449972 -0.726816 0.517204 187.312 -282.287 -569.059 # jumping subtree containing (T0187)P24 jump= -0.813859 -0.21974 -0.52209 0.129499 304.189 -210.463 -281.246 # jumping subtree containing (T0187)S126 jump= -0.869469 0.192196 0.194942 0.411197 -89.0792 190.573 -24.1013 # jumping subtree containing (T0187)P24 jump= -0.640146 -0.161499 0.220968 0.717847 -213.998 52.8812 -61.0233 # jumping subtree containing (T0187)Y73 jump= 0.129984 0.591609 -0.655137 -0.451552 -288.765 178.201 -617.099 # jumping subtree containing (T0187)P91 jump= -0.666667 -0.632936 -0.215496 -0.329405 289.339 -247.897 -339.926 # generation 169: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.5853 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1415 ## OptSubtree 2748 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y57 jump= -0.972153 -0.0352361 0.050713 -0.226063 -31.2722 -46.1497 -3.51384 # jumping subtree containing (T0187)Y73 jump= -0.53507 0.235314 -0.349632 -0.732178 -16.4591 308.45 -135.107 # jumping subtree containing (T0187)P24 jump= 0.833374 -0.404209 -0.194562 0.322876 -232.104 233.64 -115.109 # jumping subtree containing (T0187)A49 jump= 0.772407 -0.149567 -0.536406 0.305427 -349.561 -42.002 -206.928 # jumping subtree containing (T0187)Y57 jump= -0.855658 0.485068 -0.164952 0.073137 126.29 304.207 -212.317 # jumping subtree containing (T0187)P24 jump= 0.588714 -0.643849 -0.164208 0.460336 -304.43 254.551 -336.034 # jumping subtree containing (T0187)A49 jump= 0.59246 0.763983 0.160698 -0.198741 -38.8628 -360.878 -504.226 # jumping subtree containing (T0187)P24 jump= 0.677629 0.459889 0.293528 -0.493114 -52.6788 -344.29 -252.512 # jumping subtree containing (T0187)A49 jump= -0.992899 0.0714152 0.0940884 -0.0141108 -60.3455 76.7582 4.5948 # jumping subtree containing (T0187)I19 jump= -0.745571 0.0374409 -0.424992 0.511961 232.285 -154.975 -157.777 # jumping subtree containing (T0187)P24 jump= -0.918973 -0.0158901 -0.390156 -0.0549062 265.037 2.88624 -126.66 # jumping subtree containing (T0187)L107 jump= -0.974293 -0.0239794 0.158998 -0.157788 -117.353 -22.1518 -40.8978 # jumping subtree containing (T0187)S126 jump= 0.999698 0.0143246 -0.0189565 0.00620361 0.701179 3.11983 10.1644 # jumping subtree containing (T0187)P24 jump= -0.291527 0.641313 -0.687865 0.174849 232.367 57.4925 -657.764 # jumping subtree containing (T0187)P24 jump= -0.776913 0.594972 0.18136 0.0975862 -66.4654 369.31 -278.532 # jumping subtree containing (T0187)S126 jump= -0.581248 0.220023 0.325039 0.712804 -53.7821 263.23 -103.255 # jumping subtree containing (T0187)P24 jump= 0.259179 0.789332 0.00459627 0.556562 335.35 -126.612 -499.467 # generation 170: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.5853 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1421 ## OptSubtree 2766 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.644773 0.347414 -0.551729 -0.398956 190.879 372.725 -355.198 # jumping subtree containing (T0187)P91 jump= -0.999651 -0.00734143 -0.0164788 0.0193036 31.0349 4.35008 14.5169 # jumping subtree containing (T0187)I19 jump= 0.341209 0.632335 0.537555 0.441321 316.514 76.7255 -570.15 # jumping subtree containing (T0187)P24 jump= -0.674682 -0.454931 -0.000508444 0.581242 -236.908 -234.46 -208.305 # jumping subtree containing (T0187)A44 jump= 0.967908 0.208529 0.139652 0.0129255 110.834 -155.736 -46.1354 # jumping subtree containing (T0187)E113 jump= 0.830039 -0.225215 -0.485273 -0.157555 -286.827 209.494 -246.948 # jumping subtree containing (T0187)S126 jump= 0.529935 -0.237216 -0.809391 -0.0882271 -341.781 134.758 -543.412 # jumping subtree containing (T0187)E113 jump= 0.565804 -0.52702 0.634113 0.00403065 274.038 256.517 -488.151 # jumping subtree containing (T0187)P91 jump= 0.167527 0.222265 0.498588 0.82094 176.309 290.816 -211 # jumping subtree containing (T0187)R39 jump= 0.162244 0.162819 -0.757143 -0.611475 -180.882 328.793 -490.466 # jumping subtree containing (T0187)E87 jump= -0.341596 -0.809332 -0.225247 -0.421377 320.765 -106.998 -550.092 # jumping subtree containing (T0187)A49 jump= -0.969723 0.151781 -0.0503261 0.184572 42.2428 83.8135 -25.9536 # jumping subtree containing (T0187)T97 jump= -0.852855 -0.180907 0.369891 0.321078 -271.475 -45.4418 -107.706 # jumping subtree containing (T0187)S126 jump= 0.879194 0.0796324 0.447563 0.142704 310.543 -20.1995 -180.714 # jumping subtree containing (T0187)P24 jump= 0.995613 0.0605172 -0.0242406 0.0671122 -8.04661 -56.9773 21.632 # jumping subtree containing (T0187)A147 jump= -0.525756 -0.456872 -0.701214 -0.152141 340.88 -101.873 -559.106 # generation 171: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.5853 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 71 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1424 ## OptSubtree 2787 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y73 jump= -0.99739 0.0132666 -0.0699745 0.0118369 55.138 32.0277 -7.09625 # jumping subtree containing (T0187)E113 jump= 0.840846 -0.386296 -0.356855 -0.128094 -181.352 296.562 -221.825 # jumping subtree containing (T0187)S126 jump= -0.352225 -0.345342 -0.113707 0.862408 -217.415 -116.35 -119.021 # jumping subtree containing (T0187)S126 jump= -0.977009 0.204743 0.0481422 0.0348831 -28.6571 159.109 -15.5811 # jumping subtree containing (T0187)K143 jump= -0.807942 -0.527358 -0.205501 0.163989 39.3243 -342.592 -276.89 # jumping subtree containing (T0187)P24 jump= 0.364948 0.286277 -0.774202 0.430661 -119.363 -339.136 -489.136 # jumping subtree containing (T0187)A147 jump= 0.478252 -0.262954 0.732989 0.406027 184.566 329.456 -466.157 # jumping subtree containing (T0187)A49 jump= -0.85625 0.117351 0.304125 0.400715 -189.063 186.702 -83.3013 # jumping subtree containing (T0187)P24 jump= 0.997509 0.0285575 -0.0598153 0.0241325 -29.5162 -36.2502 -12.4526 # generation 172: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.5853 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 72 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1424 ## OptSubtree 2810 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.298438 -0.491399 -0.817421 0.0358426 -213.917 91.8088 -662.487 # jumping subtree containing (T0187)L107 jump= 0.945331 -0.0452059 -0.309078 -0.0936802 -256.343 74.6182 -80.4702 # jumping subtree containing (T0187)K66 jump= -0.662053 0.741525 -0.0143704 -0.107794 -70.318 383.799 -445.307 # jumping subtree containing (T0187)R39 jump= -0.454626 0.789573 0.397663 0.108416 -78.1797 310.794 -619.934 # jumping subtree containing (T0187)R39 jump= 0.301172 -0.08702 -0.92673 0.207112 -223.263 -134.749 -661.286 # jumping subtree containing (T0187)E113 jump= 0.919604 0.19541 -0.0761657 0.332177 12.3187 -159.421 -48.0057 # jumping subtree containing (T0187)P24 jump= 0.579614 -0.014919 -0.144676 0.801807 -85.75 -42.5961 -11.3053 # jumping subtree containing (T0187)P24 jump= 0.5121 0.768992 0.348609 -0.157726 13.3269 -332.583 -574.63 # jumping subtree containing (T0187)P24 jump= -0.996424 0.0790359 -0.0201149 0.0220898 -8.91856 49.4803 -2.74904 # jumping subtree containing (T0187)P24 jump= -0.158687 0.211546 0.781945 0.564472 -26.9607 402.246 -537.003 # jumping subtree containing (T0187)M1 jump= -0.531075 0.759737 -0.368339 -0.0713118 124.151 338.514 -537.131 # jumping subtree containing (T0187)P24 jump= -0.974704 0.00886798 -0.223319 -0.00168316 152.265 24.7512 -40.6777 # jumping subtree containing (T0187)K143 jump= 0.0114434 -0.122866 0.268187 0.955431 -81.1326 231.512 -84.6596 # jumping subtree containing (T0187)E113 jump= -0.125339 -0.682525 0.145972 -0.705083 388.752 -160.18 -424.643 # jumping subtree containing (T0187)H75 jump= -0.276908 0.282057 0.918479 0.0127686 -211.709 81.1738 -682.033 # generation 173: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.5853 cost/residue, 360 clashes 0.138358 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 81 ## TwoFragment 16 ## CrossOver 72 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 1428 ## OptSubtree 2830 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.339615 -0.891674 -0.0172113 -0.298803 210.027 257.192 -599.177 # jumping subtree containing (T0187)P24 jump= 0.687571 0.218775 0.188321 0.666272 254.43 25.9204 -66.4689 # jumping subtree containing (T0187)A49 jump= 0.992237 0.0454005 0.0343924 -0.110556 29.3216 -46.9422 -5.84093 # jumping subtree containing (T0187)P24 jump= -0.72904 0.421227 -0.196981 0.502262 248.004 186.856 -127.584 # jumping subtree containing (T0187)R39 jump= 0.462203 -0.749084 -0.448318 -0.15573 -65.8731 335.663 -601.398 # jumping subtree containing (T0187)A49 jump= 0.692682 -0.21632 -0.649025 -0.228394 -349.791 226.834 -324.798 # jumping subtree containing (T0187)T97 jump= 0.704056 -0.388009 0.353147 0.478582 23.8693 321.185 -198.402 # jumping subtree containing (T0187)E113 jump= 0.878375 -0.1499 -0.0483212 0.451278 -56.7962 94.223 -36.6501 # jumping subtree containing (T0187)P24 jump= -0.169412 -0.968985 0.0710462 -0.165286 142.739 -90.8213 -759.386 # jumping subtree containing (T0187)P24 jump= -0.907623 -0.228894 0.0816511 -0.342288 14.5875 -154.108 -71.3722 # jumping subtree containing (T0187)T97 jump= -0.982771 0.0413659 -0.143541 0.108836 117.327 8.43247 -41.4509 # jumping subtree containing (T0187)P24 jump= 0.686665 -0.258378 -0.559106 -0.386176 -270.144 338.043 -309.606 # jumping subtree containing (T0187)P24 jump= 0.295707 0.212213 -0.692672 -0.622678 -305.759 312.613 -442.16 # jumping subtree containing (T0187)S126 jump= -0.985923 -0.0265755 0.0647728 -0.151838 -39.779 -34.2105 -2.97478 # generation 174: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4181 cost/residue, 373 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 82 ## TwoFragment 16 ## CrossOver 73 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 1437 ## OptSubtree 2842 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y73 jump= 0.884871 -0.0309718 -0.429743 0.177103 -313.813 -14.7217 -150.771 # jumping subtree containing (T0187)Y57 jump= -0.811338 -0.396122 -0.420614 -0.0888918 301.802 -200.717 -254.019 # jumping subtree containing (T0187)A147 jump= 0.30358 0.393367 0.767698 0.40465 273.309 134.013 -587.929 # jumping subtree containing (T0187)P24 jump= 0.553379 -0.815354 -0.170077 -0.00659895 -75.0536 363.971 -529.08 # jumping subtree containing (T0187)A147 jump= 0.850325 -0.0273423 -0.377307 -0.365839 -257.427 151.391 -104.512 # jumping subtree containing (T0187)S126 jump= -0.260526 0.860193 0.0744438 0.432032 263.19 232.543 -557.798 # jumping subtree containing (T0187)H90 jump= 0.531304 0.738651 -0.25462 -0.327535 -312.246 -249.44 -467.633 # jumping subtree containing (T0187)L107 jump= 0.960636 -0.173151 -0.0059165 0.217168 -41.5617 127.859 3.39609 # jumping subtree containing (T0187)P24 jump= 0.969798 -0.04915 0.169603 0.168256 129.217 60.4476 -21.3647 # jumping subtree containing (T0187)A49 jump= 0.695132 -0.214725 -0.465353 -0.504115 -184.428 315.655 -188.786 # generation 175: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4181 cost/residue, 373 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 73 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 1441 ## OptSubtree 2861 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y57 jump= -0.93777 -0.107411 0.253602 -0.211508 -156.674 -108.007 -62.2194 # jumping subtree containing (T0187)S126 jump= -0.985231 -0.0164841 0.0540619 0.161632 -74.7569 0.0909929 -8.59901 # jumping subtree containing (T0187)S126 jump= -0.994084 0.0724373 -0.00157892 0.0809169 11.5835 26.725 -11.8722 # Removing break before 112 # jumping subtree containing (T0187)L107 jump= 0.0857677 -0.14166 -0.658813 -0.733854 44.4902 391.754 -361.29 # jumping subtree containing (T0187)Y73 jump= -0.464345 -0.560317 -0.306159 -0.613755 366.169 -30.3442 -312.28 # jumping subtree containing (T0187)Y73 jump= -0.955118 -0.00829417 0.295705 -0.0154537 -223.507 -36.2911 -71.9164 # jumping subtree containing (T0187)P24 jump= 0.498321 0.684804 0.0201041 0.531333 290.112 -210.343 -362.209 # jumping subtree containing (T0187)L107 jump= 0.476125 0.717274 -0.0652328 0.504547 255.9 -268.541 -403.519 # jumping subtree containing (T0187)T97 jump= -0.741179 0.327622 -0.00943421 -0.585857 -173.045 196.529 -89.7417 # jumping subtree containing (T0187)Y57 jump= 0.983791 0.110818 -0.0336922 0.136891 -15.4488 -94.9271 -3.66897 # generation 176: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4181 cost/residue, 373 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 73 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 17 ## JiggleSubtree 1449 ## OptSubtree 2888 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.512235 0.739895 0.43597 0.0100281 -162.04 307.679 -588.715 # jumping subtree containing (T0187)S126 jump= 0.834785 0.31114 -0.0454919 0.451947 92.0711 -194.187 -52.9729 # jumping subtree containing (T0187)A147 jump= 0.903344 0.00118938 -0.310733 0.295656 -200.708 -89.3498 -56.3103 # jumping subtree containing (T0187)Y57 jump= 0.532254 0.606546 -0.266252 -0.527179 -379.505 -161.356 -332.058 # jumping subtree containing (T0187)L60 jump= -0.526808 0.360613 0.666618 -0.384775 -352.703 -86.7543 -463.934 # jumping subtree containing (T0187)T97 jump= 0.721403 0.195153 0.644437 -0.161843 309.143 -205.091 -348.272 # jumping subtree containing (T0187)Y57 jump= -0.969481 0.243049 -0.0178982 0.0267014 11.9106 173.011 -70.6877 # jumping subtree containing (T0187)S126 jump= 0.939384 -0.142162 -0.118871 0.288474 -122.001 76.216 5.14403 # jumping subtree containing (T0187)S126 jump= 0.986416 0.038661 -0.0821452 0.136897 -57.4421 -37.7434 -3.09859 # jumping subtree containing (T0187)S126 jump= -0.560152 0.395425 0.0375549 0.726951 178.322 230.803 -114.784 # jumping subtree containing (T0187)Y57 jump= 0.99554 -0.048081 -0.0766659 0.026647 -51.8476 33.7704 -30.3688 # jumping subtree containing (T0187)P91 jump= -0.979269 -0.107404 -0.171687 -0.00444512 117.858 -83.5303 -51.2913 # generation 177: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4181 cost/residue, 373 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 73 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 18 ## JiggleSubtree 1453 ## OptSubtree 2907 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y73 jump= 0.6652 0.704596 0.241017 -0.0544376 48.6898 -318.214 -441.028 # jumping subtree containing (T0187)S126 jump= -0.903043 -0.214954 0.138766 -0.34504 -30.6384 -167.791 -35.687 # jumping subtree containing (T0187)E140 jump= -0.577059 -0.796835 -0.129826 0.123295 -14.0063 -327.996 -467.096 # jumping subtree containing (T0187)S126 jump= -0.657872 0.59458 0.238253 0.396125 79.1402 418.698 -345.864 # jumping subtree containing (T0187)L60 jump= -0.739206 -0.355288 0.219621 -0.52831 3.05568 -289.166 -103.245 # jumping subtree containing (T0187)S126 jump= 0.36111 -0.914645 0.0178494 0.180849 -95.5769 301.7 -635.359 # jumping subtree containing (T0187)L107 jump= 0.269805 0.556684 0.453242 0.641778 385.451 120.328 -408.93 # jumping subtree containing (T0187)A147 jump= 0.835967 0.142733 0.426747 0.314124 331.636 14.7595 -149.712 # jumping subtree containing (T0187)L149 jump= 0.000577024 0.570681 0.678425 0.462669 200.945 253.096 -620.758 # jumping subtree containing (T0187)Y73 jump= 0.859995 -0.122459 0.309675 0.386671 150.848 196.113 -114.32 # jumping subtree containing (T0187)S126 jump= 0.806243 -0.291713 -0.463531 0.223642 -322.073 102.26 -195.493 # generation 178: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4169 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 75 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 1458 ## OptSubtree 2923 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E113 jump= 0.0359361 0.33868 0.932172 -0.122715 -10.2211 -93.7075 -731.803 # jumping subtree containing (T0187)E113 jump= 0.953066 0.203539 -0.218629 0.0493747 -134.529 -165.042 -77.9864 # jumping subtree containing (T0187)Y73 jump= -0.895822 -0.238111 -0.315607 -0.202975 255.117 -134.204 -112.586 # jumping subtree containing (T0187)S126 jump= 0.998868 0.0187072 0.0415597 0.0136171 31.5053 -17.2647 -24.7673 # jumping subtree containing (T0187)S127 jump= 0.993839 -0.0395029 -0.10355 -0.000324528 -67.6033 9.76665 0.974513 # jumping subtree containing (T0187)A147 jump= -0.999037 0.00806139 -0.0399163 -0.0163344 19.4781 -5.92687 9.51637 # jumping subtree containing (T0187)R39 jump= 0.98374 -0.117562 -0.127959 0.0453996 -110.596 87.7465 -26.4824 # jumping subtree containing (T0187)S126 jump= 0.181887 -0.767017 0.293763 -0.540653 346.115 35.1139 -481.901 # jumping subtree containing (T0187)A147 jump= -0.979911 -0.0314449 0.195706 0.0220422 -145.359 -5.47634 -63.715 # jumping subtree containing (T0187)A147 jump= 0.261117 0.0943698 0.849997 0.44768 179.464 283.866 -589.718 # jumping subtree containing (T0187)S126 jump= -0.615033 0.620753 -0.485868 -0.0182613 210.097 291.405 -469.951 # jumping subtree containing (T0187)A147 jump= 0.00764145 0.306311 -0.94774 0.0889098 14.5434 -64.489 -762.049 # jumping subtree containing (T0187)A147 jump= 0.943441 -0.235103 0.157903 0.172374 83.3608 209.986 -77.879 # Removing break before 72 # jumping subtree containing (T0187)T97 jump= -0.971232 -0.14769 -0.0447881 -0.181356 64.1927 -105.326 -6.92609 # jumping subtree containing (T0187)R39 jump= 0.706574 0.137853 0.118478 0.683896 127.092 4.34349 -33.701 # jumping subtree containing (T0187)A147 jump= -0.108194 0.617394 -0.222265 -0.746804 -359.207 202.845 -355.818 # generation 179: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4169 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 75 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 1463 ## OptSubtree 2942 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.825337 -0.256838 0.370589 0.339877 -310.728 -73.5823 -146.569 # jumping subtree containing (T0187)P91 jump= 0.666352 -0.303447 0.194856 0.65263 -65.5362 267.214 -126.948 # jumping subtree containing (T0187)Y73 jump= 0.997804 -0.0573928 0.00707724 0.032298 22.3446 33.3296 1.06371 # jumping subtree containing (T0187)S126 jump= 0.959689 -0.153027 -0.03449 0.233216 -36.4809 95.4564 -1.11456 # jumping subtree containing (T0187)R39 jump= 0.992153 0.109068 -0.0320686 -0.0520471 -17.2653 -73.8322 -20.6981 # jumping subtree containing (T0187)R39 jump= -0.844199 0.390664 -0.212597 0.299187 210.92 197.402 -168.773 # jumping subtree containing (T0187)M1 jump= 0.288435 -0.203015 0.850354 0.390497 87.5983 276.45 -588.54 # jumping subtree containing (T0187)S126 jump= -0.493769 -0.705524 0.425467 0.278219 -335.108 -174.723 -535.012 # jumping subtree containing (T0187)T97 jump= -0.625268 -0.199878 -0.486772 0.576317 104.835 -339.758 -235.929 # jumping subtree containing (T0187)M1 jump= -0.12588 -0.93806 -0.187472 -0.262776 201.824 -2.02591 -650.078 # jumping subtree containing (T0187)S76 jump= 0.991539 -0.0732437 0.098199 -0.0429325 76.2294 35.4233 10.8792 # generation 180: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4155 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 75 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1466 ## OptSubtree 2962 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= -0.891008 0.0251282 -0.298856 0.34082 190.606 -60.8249 -42.2103 # jumping subtree containing (T0187)S126 jump= 0.865637 -0.0748007 -0.491189 -0.0617354 -319.014 50.8162 -172.509 # jumping subtree containing (T0187)T97 jump= 0.805614 0.158098 -0.0204895 0.570589 47.8639 -102.887 -17.2206 # jumping subtree containing (T0187)M1 jump= 0.0691808 -0.714174 0.695201 0.0431803 53.4252 104.755 -814.143 # jumping subtree containing (T0187)M1 jump= -0.95916 -0.249221 -0.107484 0.0796704 45.5123 -160.485 -68.4967 # jumping subtree containing (T0187)P91 jump= 0.341647 0.698956 -0.499602 -0.380967 -350.554 -62.7994 -583.51 # jumping subtree containing (T0187)S126 jump= -0.257253 0.543936 0.306557 0.737548 227.251 332.431 -303.174 # jumping subtree containing (T0187)S126 jump= 0.494495 -0.254287 -0.712845 -0.427394 -229.812 318.169 -443.816 # jumping subtree containing (T0187)K29 jump= 0.99387 -0.0393294 -0.0889491 -0.0525707 -54.0861 14.2856 -1.28145 # jumping subtree containing (T0187)Y73 jump= 0.450125 0.447476 -0.770848 0.0542715 -255.771 -211.272 -608.341 # jumping subtree containing (T0187)G74 jump= 0.28141 -0.886151 0.355023 0.0974834 3.97831 217.191 -747.856 # jumping subtree containing (T0187)R39 jump= -0.185795 0.827987 0.411532 0.332505 173.976 216.079 -664.319 # jumping subtree containing (T0187)S126 jump= 0.468543 -0.696938 0.50036 0.210677 80.6283 317.654 -581.513 # jumping subtree containing (T0187)S126 jump= 0.0907652 -0.278449 -0.881258 0.37096 -148.859 -212.972 -611.931 # jumping subtree containing (T0187)M1 jump= -0.0621103 -0.820602 -0.456475 -0.338209 223.026 113.453 -665.58 # jumping subtree containing (T0187)A147 jump= -0.255637 -0.719306 -0.00198747 -0.645944 381.208 -115.624 -416.134 # generation 181: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4155 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 75 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 1473 ## OptSubtree 2978 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R39 jump= 0.573242 -0.273776 -0.700342 -0.325518 -247.573 286.245 -426.718 # jumping subtree containing (T0187)R39 jump= 0.998565 -0.0358106 0.039763 0.00194026 41.2975 10.4896 -21.1723 # jumping subtree containing (T0187)A147 jump= -0.2662 0.209216 0.901501 0.269561 -152.073 234.153 -634.098 # jumping subtree containing (T0187)R39 jump= 0.522967 -0.60137 -0.351695 0.491091 -389.272 156.907 -363.134 # jumping subtree containing (T0187)G125 jump= -0.993059 0.104064 -0.0360867 -0.0412657 24.2939 81.3931 -27.2297 # jumping subtree containing (T0187)M1 jump= -0.364692 0.821641 0.410704 0.15241 -11.9882 282.185 -608.087 # jumping subtree containing (T0187)R39 jump= 0.261508 -0.164319 0.930898 -0.195041 229.48 -95.0364 -698.085 # jumping subtree containing (T0187)T97 jump= -0.184355 -0.546314 0.670363 0.467084 -275.097 186.551 -614.471 # jumping subtree containing (T0187)P132 jump= 0.996641 -0.0618325 0.00983682 -0.0527978 -18.8992 35.1194 -0.615217 # jumping subtree containing (T0187)R39 jump= 0.986261 0.155541 0.0548328 -0.00943463 47.4548 -114.106 0.778875 # jumping subtree containing (T0187)A147 jump= 0.402342 -0.464225 -0.319367 0.72154 -365.654 4.0772 -264.071 # jumping subtree containing (T0187)R39 jump= -0.274815 0.657131 -0.505898 -0.486542 -164.905 351.909 -554.345 # jumping subtree containing (T0187)A147 jump= -0.67893 -0.0553111 0.303 -0.666473 -101.26 -157.395 -63.3445 # generation 182: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4155 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 77 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 1474 ## OptSubtree 2999 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= -0.194082 -0.791347 0.417612 0.402123 -303.033 7.69161 -624.694 # jumping subtree containing (T0187)P91 jump= 0.184377 -0.180463 0.190777 0.947123 -147.766 154.03 -71.3509 # jumping subtree containing (T0187)R39 jump= 0.124506 -0.433765 0.524466 0.721999 -193.405 350.058 -385.656 # jumping subtree containing (T0187)A49 jump= 0.280758 0.762717 0.57974 -0.0577884 63.6335 -161.292 -719.959 # jumping subtree containing (T0187)R39 jump= 0.078456 -0.432687 -0.504332 0.743152 -286.569 -284.917 -340.19 # jumping subtree containing (T0187)R39 jump= -0.928729 -0.354342 0.0783337 0.0759438 -59.3877 -255.306 -96.3667 # jumping subtree containing (T0187)R39 jump= 0.795247 0.551772 0.214266 0.131226 206.077 -296.222 -272.032 # jumping subtree containing (T0187)A147 jump= 0.246349 -0.0119337 -0.905227 0.346025 -189.238 -248.949 -686.171 # generation 183: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4148 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 79 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 1476 ## OptSubtree 3019 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.827399 -0.490723 -0.225661 0.153882 -194.021 314.985 -229.805 # jumping subtree containing (T0187)A44 jump= 0.712743 -0.0976083 -0.605958 -0.339536 -302.478 189.895 -279.975 # jumping subtree containing (T0187)A44 jump= 0.963531 0.0665189 0.187012 0.179471 164.367 -10.2256 -10.5764 # jumping subtree containing (T0187)R39 jump= 0.651653 -0.126423 -0.729186 0.166293 -422.528 -23.0954 -432.334 # jumping subtree containing (T0187)A147 jump= -0.197275 0.176138 -0.924629 -0.274081 109.076 217.639 -686.492 # jumping subtree containing (T0187)R39 jump= -0.713969 0.647405 0.221215 -0.148923 -206.791 320.756 -385.102 # jumping subtree containing (T0187)R39 jump= 0.747079 0.345727 0.393834 0.408951 347.55 -75.6726 -200.314 # jumping subtree containing (T0187)T97 jump= -0.432661 0.43043 0.655003 0.44554 -75.6379 385.902 -520.277 # jumping subtree containing (T0187)V68 jump= -0.953565 0.232807 -0.16282 -0.100021 96.7692 174.017 -88.4787 # jumping subtree containing (T0187)P91 jump= 0.99487 -0.0687528 -0.0549457 0.0498774 -30.2027 58.4494 -8.90515 # jumping subtree containing (T0187)A147 jump= -0.514127 -0.428788 0.64702 -0.364937 -121.068 -317.047 -447.595 # jumping subtree containing (T0187)R39 jump= -0.99989 0.00684104 0.00248727 -0.0129305 3.11442 31.7267 -3.74396 # jumping subtree containing (T0187)A49 jump= 0.998064 0.0557404 0.00966653 0.0258536 -10.4506 -36.4058 12.1798 # jumping subtree containing (T0187)L107 jump= -0.830466 0.031185 -0.356399 0.427005 262.186 -105.891 -103.517 # jumping subtree containing (T0187)R39 jump= -0.740345 -0.133318 0.154332 0.640545 -156.084 -16.5551 -10.2092 # jumping subtree containing (T0187)R39 jump= -0.999388 0.0209858 -0.0250716 0.0124557 42.8767 6.70403 3.62824 # jumping subtree containing (T0187)A147 jump= -0.726135 -0.536498 -0.0867101 0.421163 -137.427 -311.178 -243.943 # jumping subtree containing (T0187)Y73 jump= 0.326131 0.842838 -0.314175 -0.290787 -254.399 -159.152 -608.053 # jumping subtree containing (T0187)R39 jump= -0.407219 0.0471899 -0.894303 0.179352 291.598 -99.7152 -653.29 # jumping subtree containing (T0187)T97 jump= -0.493385 -0.821403 -0.159672 0.23743 -80.0766 -338.528 -593.993 # jumping subtree containing (T0187)R39 jump= 0.895693 -0.212545 -0.177765 0.347791 -190.592 106.277 -85.2531 # jumping subtree containing (T0187)R39 jump= -0.18639 0.0630239 -0.446318 -0.872976 20.3245 319.149 -167.702 # jumping subtree containing (T0187)L107 jump= 0.977769 0.0898536 0.087494 -0.168045 53.926 -73.6321 -35.4501 # jumping subtree containing (T0187)K143 jump= 0.999846 0.00350699 0.00530108 -0.0163763 28.4739 -8.94583 10.8377 # generation 184: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4148 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 80 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 1477 ## OptSubtree 3041 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.992991 -0.0106139 -0.111938 -0.0364074 89.5131 10.5122 -15.6646 # jumping subtree containing (T0187)A147 jump= -0.651289 -0.359541 0.010819 -0.668159 180.412 -183.436 -124.474 # jumping subtree containing (T0187)A49 jump= 0.723362 0.333097 -0.410967 0.443734 -90.2263 -321.427 -213.714 # jumping subtree containing (T0187)A147 jump= -0.0568023 0.113033 0.822449 -0.554593 -79.521 -330.098 -507.816 # jumping subtree containing (T0187)R39 jump= 0.283752 -0.525599 0.00445608 0.802004 -363.907 129.123 -215.381 # jumping subtree containing (T0187)P91 jump= 0.873063 0.181918 -0.296312 -0.341856 -273.499 -38.7369 -93.3697 # jumping subtree containing (T0187)A49 jump= 0.973093 -0.19767 -0.026671 -0.115351 -26.6391 168.854 -33.1867 # jumping subtree containing (T0187)E113 jump= -0.499173 -0.559306 -0.661159 0.0295316 228.88 -249.583 -589.491 # jumping subtree containing (T0187)R39 jump= 0.727911 0.114012 -0.568634 0.365789 -288.801 -226.448 -241.94 # jumping subtree containing (T0187)M1 jump= -0.973442 0.180309 0.0778412 0.117649 -71.8052 141.336 -27.706 # jumping subtree containing (T0187)A147 jump= -0.844731 -0.316782 0.155056 -0.402537 -20.268 -243.089 -101.691 # generation 185: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4144 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 80 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 1477 ## OptSubtree 3065 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A49 jump= -0.44605 0.151719 0.76477 0.439485 -264.64 316.401 -459.117 # jumping subtree containing (T0187)R39 jump= -0.86401 -0.20627 -0.440603 -0.129645 332.875 -113.72 -176.563 # jumping subtree containing (T0187)A147 jump= 0.999508 0.00752848 0.018015 -0.0245327 25.0243 5.4718 -8.01223 # jumping subtree containing (T0187)L107 jump= 0.860525 0.182831 0.115149 0.461314 127.091 -99.3733 -43.2832 # jumping subtree containing (T0187)S126 jump= -0.99717 -0.00179057 -0.0598288 -0.0454826 62.6927 -7.10981 -13.0803 # jumping subtree containing (T0187)S126 jump= -0.992777 0.0873636 -0.0140085 0.0810303 4.95957 57.3178 -25.6109 # jumping subtree containing (T0187)T97 jump= -0.133625 0.403835 0.0991329 -0.899575 -286.787 -66.5592 -147.468 # jumping subtree containing (T0187)G74 jump= 0.945595 -0.0955955 0.266591 -0.160128 186.859 35.2202 -50.1858 # jumping subtree containing (T0187)A147 jump= 0.183945 -0.804116 0.427779 -0.36955 302.281 -5.8488 -602.341 # jumping subtree containing (T0187)P91 jump= 0.627162 -0.201839 -0.723196 -0.20716 -294.862 206.769 -438.305 # jumping subtree containing (T0187)A147 jump= -0.247091 0.0501845 -0.965164 0.069895 193.3 -39.9345 -710.138 # jumping subtree containing (T0187)R39 jump= -0.959184 -0.0918529 -0.172965 -0.203989 144.979 -49.2502 -52.2744 # jumping subtree containing (T0187)K143 jump= 0.252038 0.346294 -0.327066 0.842369 169.248 -270.56 -152.513 # jumping subtree containing (T0187)R39 jump= -0.992665 0.0785385 -0.0810838 0.0432916 83.7211 61.5999 -18.3122 # generation 186: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4144 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 82 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 21 ## JiggleSubtree 1478 ## OptSubtree 3086 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.271991 -0.673506 -0.0678403 0.683965 -310.868 -169.359 -355.36 # jumping subtree containing (T0187)R39 jump= 0.99552 -0.0640109 0.0677567 -0.0158454 36.8169 62.4035 -23.9215 # jumping subtree containing (T0187)A147 jump= -0.658173 -0.570318 -0.0483577 -0.489089 241.587 -276.012 -257.365 # jumping subtree containing (T0187)G61 jump= -0.793128 0.0680538 -0.520258 -0.30927 319.014 133.385 -206.62 # jumping subtree containing (T0187)T97 jump= -0.959542 0.204177 0.168997 0.0950264 -80.4599 163.296 -66.4253 # generation 187: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.4144 cost/residue, 372 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 83 ## TwoFragment 16 ## CrossOver 83 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 1479 ## OptSubtree 3107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P91 jump= 0.556811 -0.506335 0.569732 -0.330139 400.723 62.5965 -463.972 # jumping subtree containing (T0187)A147 jump= 0.972381 0.00696019 -0.037647 -0.230238 -38.1703 -15.6799 2.36329 # jumping subtree containing (T0187)Y73 jump= 0.266488 -0.884991 -0.333652 -0.18561 57.7502 219.949 -712.411 # jumping subtree containing (T0187)S126 jump= -0.631296 0.342315 -0.631755 0.291843 385.502 41.8737 -400.737 # jumping subtree containing (T0187)S18 jump= -0.999616 -0.0161891 0.0113035 0.0194402 -14.2901 -16.0463 -19.2988 # jumping subtree containing (T0187)L7 jump= 0.734963 -0.206062 0.481734 -0.430464 323.289 -14.4644 -172.812 # generation 188: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3523 cost/residue, 372 clashes 0.144274 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 83 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 1479 ## OptSubtree 3130 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= -0.710952 0.114767 0.661893 -0.208021 -332.329 -48.1724 -336.572 # jumping subtree containing (T0187)L107 jump= -0.0400726 -0.0946494 -0.967964 -0.229086 103.637 164.817 -707.005 # jumping subtree containing (T0187)A147 jump= -0.313033 0.518598 -0.0689784 0.792659 339.148 89.0136 -198.011 # jumping subtree containing (T0187)S126 jump= 0.837912 0.164901 -0.454421 -0.253401 -335.098 -36.1826 -198.804 # jumping subtree containing (T0187)S18 jump= 0.984931 0.053998 0.0959352 0.133382 87.7653 -29.6866 -3.25419 # jumping subtree containing (T0187)A147 jump= 0.0791124 0.531149 0.742402 0.400577 209.639 177.35 -623.747 # jumping subtree containing (T0187)M1 jump= 0.997649 -0.00491233 0.0197177 0.0654428 4.55114 15.8374 -11.6508 # jumping subtree containing (T0187)A147 jump= -0.147554 0.542841 0.331458 -0.757421 -333.458 -130.058 -306.712 # jumping subtree containing (T0187)L107 jump= 0.999976 -0.00196488 -0.00652139 -0.00121905 2.43371 9.58769 -15.9585 # jumping subtree containing (T0187)A147 jump= -0.952541 -0.269373 0.0971982 0.103231 -82.8167 -173.129 -61.5532 # jumping subtree containing (T0187)A147 jump= 0.482944 0.384824 0.40085 -0.676753 -18.153 -326.48 -212.65 # jumping subtree containing (T0187)L107 jump= 0.969318 -0.0202296 -0.0448372 0.240836 -39.8939 5.50814 -13.8165 # generation 189: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3523 cost/residue, 372 clashes 0.144274 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 83 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 1487 ## OptSubtree 3146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y73 jump= -0.398445 -0.557754 0.728116 -0.000117821 -226.697 -181.851 -674.46 # jumping subtree containing (T0187)A147 jump= -0.975422 0.179206 0.0324666 0.124027 -25.1633 124.65 -40.3091 # jumping subtree containing (T0187)S126 jump= -0.745332 0.199009 -0.635766 0.0260184 351.559 118.487 -299.487 # jumping subtree containing (T0187)S126 jump= -0.273963 0.0721166 0.398365 -0.872381 -111.87 -217.146 -135.283 # jumping subtree containing (T0187)A147 jump= -0.999682 -0.00373128 -0.000592385 -0.0249256 -5.28996 -15.8415 18.6745 # jumping subtree containing (T0187)L7 jump= 0.583184 -0.797929 0.0936766 -0.120129 90.8736 370.192 -480.839 # jumping subtree containing (T0187)A147 jump= 0.0957052 0.129353 0.459599 -0.873428 -77.3412 -295.338 -160.51 # jumping subtree containing (T0187)L107 jump= 0.948456 -0.0492848 -0.123769 -0.287547 -93.6777 70.7296 -18.7794 # Removing break before 72 # generation 190: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3508 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 84 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 1496 ## OptSubtree 3168 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.985161 -0.117624 -0.0981689 0.0773651 -83.843 55.7193 -36.6595 # jumping subtree containing (T0187)A147 jump= -0.907019 -0.0713011 0.401446 0.105228 -267.41 -2.17567 -161.727 # jumping subtree containing (T0187)A147 jump= 0.992308 0.0638405 -0.0786626 -0.071139 -56.907 -36.8637 -18.6307 # jumping subtree containing (T0187)R39 jump= 0.607685 0.651395 -0.428582 0.150734 -107.793 -377.274 -491.839 # jumping subtree containing (T0187)Y73 jump= -0.331962 0.449492 0.267587 -0.784956 -319.421 -65.8176 -201.38 # jumping subtree containing (T0187)E113 jump= -0.167136 0.0576867 -0.0463635 0.983152 68.0454 16.2963 3.3433 # jumping subtree containing (T0187)P91 jump= 0.99502 -0.00698408 -0.0921699 0.0372886 -89.9751 -1.10301 -20.2048 # jumping subtree containing (T0187)S126 jump= 0.383397 -0.729046 -0.0266605 -0.566382 297.58 228.051 -397.639 # jumping subtree containing (T0187)A147 jump= -0.324469 -0.109221 -0.817524 0.463081 193.487 -302.345 -497.657 # jumping subtree containing (T0187)Y73 jump= -0.909053 0.318742 -0.0858188 0.254284 121.279 201.089 -85.2568 # jumping subtree containing (T0187)R39 jump= -0.984054 -0.0251306 0.166144 0.0583294 -112.6 -0.313058 -35.5899 # generation 191: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3508 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 84 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1502 ## OptSubtree 3185 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.980367 -0.0535472 0.0244396 0.188189 17.8525 34.3411 -30.4321 # jumping subtree containing (T0187)P91 jump= -0.96851 -0.218471 0.108119 0.0506794 -84.1878 -133.861 -51.5335 # jumping subtree containing (T0187)V15 jump= -0.415106 -0.40794 0.180425 0.792918 -308.059 36.714 -160.74 # jumping subtree containing (T0187)A147 jump= 0.972105 0.22025 -0.0426263 -0.0684497 -50.6111 -178.321 -44.953 # jumping subtree containing (T0187)Y73 jump= -0.633304 -0.667939 -0.198114 0.336948 -86.7874 -390.549 -358.91 # jumping subtree containing (T0187)K29 jump= -0.933909 0.0234398 0.176733 -0.309888 -134.639 -31.8642 -15.1518 # jumping subtree containing (T0187)T97 jump= -0.452422 -0.382839 -0.0118426 0.805362 -210.704 -171.714 -115.056 # jumping subtree containing (T0187)R39 jump= 0.0171225 -0.115153 -0.808315 -0.577125 108.628 345.767 -526.753 # jumping subtree containing (T0187)R39 jump= -0.297235 0.186221 0.472007 -0.808816 -193.063 -259.966 -189.296 # jumping subtree containing (T0187)S126 jump= 0.875465 0.178036 0.410333 -0.183006 254.24 -178.521 -172.445 # generation 192: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3508 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 84 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1505 ## OptSubtree 3206 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D81 jump= -0.768228 0.573602 0.0531845 0.279245 106.697 354.57 -245.638 # Removing break before 142 # jumping subtree containing (T0187)M1 jump= -0.87947 -0.1817 -0.0277923 -0.439027 82.8865 -106.758 3.42536 # jumping subtree containing (T0187)S126 jump= -0.919922 -0.0693919 -0.385797 -0.00945296 292.991 -47.2366 -121.585 # jumping subtree containing (T0187)T97 jump= -0.45227 -0.715112 0.457811 0.272903 -307.76 -190.043 -551.974 # jumping subtree containing (T0187)Y73 jump= 0.997877 0.00878124 0.0225519 0.0604711 41.6746 3.37681 4.10437 # jumping subtree containing (T0187)K62 jump= 0.957705 0.150707 -0.230618 -0.0830895 -176.629 -85.7283 -54.5087 # jumping subtree containing (T0187)A49 jump= 0.898012 0.309638 0.312305 0.0128393 229.701 -228.221 -125.905 # jumping subtree containing (T0187)S126 jump= 0.311419 -0.631857 -0.204745 -0.679598 265.385 271.171 -313.003 # jumping subtree containing (T0187)T97 jump= 0.947863 -0.15946 -0.17328 0.214715 -154.529 103.059 -28.9358 # jumping subtree containing (T0187)A49 jump= 0.73159 -0.0694124 0.18547 -0.652348 138.081 -11.7285 -29.3722 # jumping subtree containing (T0187)L107 jump= -0.242144 0.670127 -0.592072 -0.376493 -61.6053 278.987 -591.098 # jumping subtree containing (T0187)A147 jump= -0.908879 0.376335 -0.116172 0.137167 102.898 227.893 -113.984 # generation 193: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3508 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 84 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1508 ## OptSubtree 3227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L121 jump= 0.18661 0.477793 -0.836008 0.194888 -52.3934 -169.785 -702.242 # jumping subtree containing (T0187)R39 jump= 0.998983 0.0228439 -0.0313329 -0.0229989 -20.8905 -41.5525 -9.06776 # jumping subtree containing (T0187)A88 jump= 0.326502 0.167316 0.650469 0.66505 277.081 275.566 -352.479 # jumping subtree containing (T0187)S126 jump= -0.924939 -0.313287 0.203342 0.0706444 -146.189 -189.316 -127.431 # jumping subtree containing (T0187)R39 jump= 0.20865 0.331014 -0.681481 0.618449 81.9789 -391.856 -476.587 # generation 194: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3506 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 86 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1508 ## OptSubtree 3249 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.947033 -0.147844 0.280855 0.0489007 199.68 112.189 -80.1964 # jumping subtree containing (T0187)P91 jump= 0.925819 0.227878 -0.168281 0.250225 -64.6366 -182.628 -64.9806 # jumping subtree containing (T0187)S126 jump= -0.314884 0.0589873 0.847263 -0.423691 -188.739 -273.438 -535.747 # jumping subtree containing (T0187)A49 jump= 0.8025 -0.43201 0.0462176 -0.408932 165.885 274.811 -115.378 # jumping subtree containing (T0187)T97 jump= 0.539086 0.269704 -0.565964 0.562433 -112.579 -371.37 -295.098 # jumping subtree containing (T0187)S126 jump= 0.997295 -0.0501537 0.0167615 -0.0510618 26.3891 27.5719 -5.14538 # jumping subtree containing (T0187)A49 jump= 0.827293 0.300912 0.473513 -0.0287124 295.694 -178.11 -246.628 # jumping subtree containing (T0187)Y73 jump= -0.649702 0.316497 0.170302 0.669861 97.5556 275.519 -131.977 # jumping subtree containing (T0187)Y73 jump= -0.956621 0.190778 -0.191633 0.108428 139.663 134.55 -44.6278 # jumping subtree containing (T0187)S126 jump= -0.967634 -0.242443 0.0109196 0.0691801 -1.74341 -150.684 -42.9852 # jumping subtree containing (T0187)H90 jump= 0.803087 0.189527 -0.552173 -0.119315 -377.011 -46.4261 -293.034 # jumping subtree containing (T0187)S126 jump= 0.999899 -0.0113583 0.00675991 -0.00522036 -7.51081 2.82349 10.595 # jumping subtree containing (T0187)S126 jump= 0.0883134 0.158107 0.834878 0.519789 126.364 298.204 -549.855 # jumping subtree containing (T0187)P91 jump= -0.853039 -0.271363 0.37907 0.234507 -302.797 -101.594 -196.183 # generation 195: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3506 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 86 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1508 ## OptSubtree 3273 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.434352 -0.246339 0.533907 0.682348 88.7216 358.292 -239.088 # jumping subtree containing (T0187)A147 jump= 0.77878 0.446023 -0.422004 -0.128364 -291.505 -236.472 -291.924 # jumping subtree containing (T0187)P91 jump= -0.952007 0.0959812 -0.170526 0.235355 143.091 35.7652 -22.4988 # jumping subtree containing (T0187)T97 jump= -0.124474 -0.944434 -0.284026 -0.108992 142.753 -86.5439 -753.381 # jumping subtree containing (T0187)S126 jump= -0.201759 0.300565 -0.784913 0.502858 246.888 -214.326 -514.653 # jumping subtree containing (T0187)E113 jump= -0.835517 0.198338 -0.511974 -0.0213511 334.688 154.5 -193.606 # jumping subtree containing (T0187)A147 jump= 0.152794 0.374448 0.316795 0.857953 309.653 153.387 -189.739 # jumping subtree containing (T0187)R39 jump= 0.616798 0.629245 -0.412429 -0.23133 -298.436 -185.296 -424.442 # jumping subtree containing (T0187)M1 jump= -0.148767 -0.390929 -0.776356 0.471501 -49.0161 -325.575 -586.141 # jumping subtree containing (T0187)S126 jump= 0.655785 -0.476167 -0.188986 -0.554522 94.4117 308.482 -195.735 # generation 196: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3506 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 87 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1508 ## OptSubtree 3296 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.705362 -0.633577 -0.308416 0.0769631 -178.423 324.257 -365.543 # jumping subtree containing (T0187)L138 jump= -0.526978 0.410316 -0.677002 0.309198 354.234 4.28931 -490.844 # jumping subtree containing (T0187)S126 jump= 0.518529 -0.596235 0.210429 -0.575631 327.916 172.477 -308.885 # jumping subtree containing (T0187)Y73 jump= 0.118299 0.327731 0.382868 -0.855576 -152.991 -307.541 -197.665 # jumping subtree containing (T0187)Y73 jump= -0.956349 0.0425236 -0.200568 -0.208232 160.061 53.3148 -41.6777 # jumping subtree containing (T0187)R39 jump= 0.377603 -0.721971 -0.105548 0.570117 -330.645 139.053 -398.063 # jumping subtree containing (T0187)A147 jump= 0.276715 -0.447315 0.387035 -0.757325 343.606 -99.4652 -254.993 # jumping subtree containing (T0187)M1 jump= -0.999934 0.004701 0.0090995 0.00519667 -4.9748 3.81631 15.589 # jumping subtree containing (T0187)M1 jump= 0.770773 -0.00375185 0.627196 -0.111897 346.176 -43.4928 -302.041 # jumping subtree containing (T0187)T97 jump= 0.98829 -0.105682 -0.101286 -0.0430845 -94.7978 78.6465 -9.05877 # jumping subtree containing (T0187)S126 jump= -0.475556 0.745327 -0.229004 0.407298 330.745 205.641 -453.932 # generation 197: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3504 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 89 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1508 ## OptSubtree 3318 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S18 jump= 0.55649 0.497443 0.116579 0.655193 314.708 -121.24 -238.128 # Removing break before 112 # jumping subtree containing (T0187)K17 jump= -0.884568 0.300732 0.0925468 -0.34429 -102.345 174.499 -60.0268 # jumping subtree containing (T0187)M1 jump= 0.992637 -0.0380165 -0.110998 0.0300871 -97.0709 19.2273 -30.963 # jumping subtree containing (T0187)A147 jump= 0.960082 0.0507999 -0.0969725 -0.257406 -70.6584 -8.36237 -36.7045 # jumping subtree containing (T0187)A147 jump= 0.878254 -0.325409 0.320618 0.141362 196.757 227.002 -133.187 # jumping subtree containing (T0187)R39 jump= -0.472014 0.612058 0.609952 0.174775 -101.764 298.472 -591.707 # jumping subtree containing (T0187)T97 jump= -0.915772 0.00308373 -0.192001 -0.352828 109.345 53.6748 -21.2451 # jumping subtree containing (T0187)K143 jump= 0.302122 0.65821 0.560348 0.40186 348.266 -13.7442 -544.432 # jumping subtree containing (T0187)E113 jump= 0.417096 0.35202 0.00611084 -0.837899 -184.769 -118.165 -93.2904 # jumping subtree containing (T0187)S126 jump= 0.915839 -0.0742256 0.379231 0.109151 258.95 81.0387 -114.544 # jumping subtree containing (T0187)E113 jump= 0.546255 0.125429 -0.809302 0.175793 -281.907 -184.855 -524.939 # jumping subtree containing (T0187)Y73 jump= -0.0487352 0.629262 0.618663 0.467878 257.14 220.009 -610.431 # generation 198: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3504 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 90 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1508 ## OptSubtree 3341 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A147 jump= 0.157436 -0.139294 -0.952857 0.218802 -115.019 -136.681 -670.161 # jumping subtree containing (T0187)D94 jump= -0.0518903 0.392259 0.870316 0.293241 71.9866 190.614 -693.253 # jumping subtree containing (T0187)T97 jump= 0.62164 -0.248652 0.615418 0.415928 190.197 324.401 -332.812 # jumping subtree containing (T0187)A147 jump= -0.947752 -0.162417 -0.14762 0.231507 56.5878 -145.908 -16.1878 # jumping subtree containing (T0187)K29 jump= -0.325375 -0.716361 0.124404 0.604551 -341.057 -84.3398 -376.131 # jumping subtree containing (T0187)A147 jump= 0.566536 0.604934 -0.376754 0.4137 16.261 -376.226 -393.98 # jumping subtree containing (T0187)Y73 jump= 0.191528 0.130112 0.889151 -0.394713 116.657 -295.742 -638.025 # jumping subtree containing (T0187)T97 jump= -0.137394 0.735737 0.44742 -0.48952 -324.033 -115.809 -571.208 # jumping subtree containing (T0187)Y73 jump= -0.430255 0.597647 0.199093 -0.646576 -365.42 60.6701 -298.359 # jumping subtree containing (T0187)A147 jump= 0.886708 -0.0570035 0.267952 0.372425 156.543 126.094 -39.4374 # jumping subtree containing (T0187)N36 jump= -0.115384 -0.944527 0.282658 0.121079 -107.649 -54.8248 -767.976 # generation 199: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3504 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 91 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1508 ## OptSubtree 3364 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.639742 -0.118869 -0.665096 0.366398 285.685 -190.794 -269.865 # jumping subtree containing (T0187)Y73 jump= 0.364919 -0.69562 -0.584601 -0.20295 -49.1509 265.668 -684.995 # jumping subtree containing (T0187)P91 jump= -0.0580975 -0.932104 0.351962 0.062696 -59.965 -14.0006 -768.641 # jumping subtree containing (T0187)A147 jump= 0.486247 0.0620244 -0.871615 -0.0021151 -311.539 -20.3039 -586.998 # jumping subtree containing (T0187)L120 jump= -0.92722 -0.111348 0.0120833 0.357376 -18.1053 -52.7554 -6.83718 # jumping subtree containing (T0187)P91 jump= -0.646013 -0.292748 0.0759756 0.700852 -198.47 -98.4762 -77.0187 # jumping subtree containing (T0187)T97 jump= 0.0853439 -0.73163 0.64129 -0.214897 167.202 -78.8154 -749.379 # jumping subtree containing (T0187)T97 jump= 0.995544 -0.00969516 -0.0668237 -0.0658296 -32.4143 8.49683 18.5842 # jumping subtree containing (T0187)S126 jump= 0.685471 0.076284 -0.689306 0.221738 -319.707 -130.516 -374.543 # jumping subtree containing (T0187)K143 jump= -0.846531 -0.247006 0.251755 -0.398738 -108.083 -240.83 -88.2435 # jumping subtree containing (T0187)E113 jump= 0.793493 -0.109969 -0.597315 -0.0386056 -329.083 55.1785 -283.472 # jumping subtree containing (T0187)V22 jump= 0.276504 -0.610811 0.337718 -0.660607 427.792 28.7071 -384.223 # jumping subtree containing (T0187)S126 jump= -0.997612 -0.0277288 -0.0440469 0.0453915 37.4037 -46.5024 -0.743329 # generation 200: best score out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi 72.3499 cost/residue, 363 clashes 0.136882 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 84 ## TwoFragment 16 ## CrossOver 93 ## CrossAndInsert 78 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 1510 ## OptSubtree 3384 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1774084441.pdb -s /projects/compbio/tmp/to_scwrl_1774084441.seq -o /projects/compbio/tmp/from_scwrl_1774084441.pdb -a /projects/compbio/tmp/from_scwrl_1774084441_a.pdb -b /projects/compbio/tmp/from_scwrl_1774084441_b.pdb > /projects/compbio/tmp/scwrl_1774084441.log # T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi-scwrl 72.0615 cost/residue 244 clashes 0.136882 breaks # iteration 1 # filling pool to have 40 conformations # best score in initial pool out of 40: T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi at pool[7] 81.1949 cost/residue, 182 clashes # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0187.try1-al10 80.394 cost/residue, 192 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 7 ## InsertFragment 5 ## TwoFragment 9 ## CrossOver 0 ## CrossAndInsert 4 ## ReduceClash 3 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al10 77.8566 cost/residue, 235 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 14 ## TwoFragment 10 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 7 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al10 77.8566 cost/residue, 235 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 20 ## InsertFragment 22 ## TwoFragment 13 ## CrossOver 1 ## CrossAndInsert 14 ## ReduceClash 8 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0187.try1-al10 77.6635 cost/residue, 266 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 25 ## InsertFragment 27 ## TwoFragment 15 ## CrossOver 1 ## CrossAndInsert 17 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 0 ## JiggleSubtree 5 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # Removing break before 73 # generation 5: best score out of 40: T0187.try1-al10 77.238 cost/residue, 277 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 32 ## TwoFragment 16 ## CrossOver 2 ## CrossAndInsert 18 ## ReduceClash 18 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 9 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al10 76.8909 cost/residue, 261 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 35 ## TwoFragment 16 ## CrossOver 3 ## CrossAndInsert 27 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 16 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # Removing break before 73 # Removing break before 73 # generation 7: best score out of 40: T0187.try1-al10 76.5459 cost/residue, 299 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 37 ## InsertFragment 38 ## TwoFragment 18 ## CrossOver 4 ## CrossAndInsert 33 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 20 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # jumping subtree containing (T0187)M1 jump= 0.829635 0.328771 0.321655 0.316472 -9.03457 13.0704 13.2415 # generation 8: best score out of 40: T0187.try1-al10 76.5459 cost/residue, 299 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 40 ## InsertFragment 41 ## TwoFragment 18 ## CrossOver 5 ## CrossAndInsert 37 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 28 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 115 # Removing break before 86 # jumping subtree containing (T0187)R65 jump= 0.577778 -0.398469 -0.667674 0.248207 6.93081 -8.23547 -40.6243 # Removing break before 81 # generation 9: best score out of 40: T0187.try1-al10 76.5459 cost/residue, 299 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 48 ## TwoFragment 18 ## CrossOver 5 ## CrossAndInsert 37 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 37 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 129 # Removing break before 129 # Removing break before 115 # generation 10: best score out of 40: T0187.try1-al10 76.4487 cost/residue, 300 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 47 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 5 ## CrossAndInsert 38 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 11 ## JiggleSubtree 44 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 51 # Removing break before 21 # generation 11: best score out of 40: T0187.try1-al10 76.4431 cost/residue, 357 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 48 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 7 ## CrossAndInsert 39 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 59 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 21 # Removing break before 106 # Removing break before 137 # Removing break before 21 # Removing break before 21 # generation 12: best score out of 40: T0187.try1-al10 76.4431 cost/residue, 357 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 49 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 9 ## CrossAndInsert 39 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 72 ## OptSubtree 26 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 115 # Removing break before 21 # Removing break before 75 # generation 13: best score out of 40: T0187.try1-al10 75.9803 cost/residue, 355 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 49 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 11 ## CrossAndInsert 40 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 88 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 73 # jumping subtree containing (T0187)G124 jump= 0.764803 -0.0843615 -0.153258 0.620057 -15.3983 -3.44351 -10.0746 # Removing break before 91 # Removing break before 75 # Removing break before 115 # Removing break before 91 # Removing break before 115 # jumping subtree containing (T0187)M1 jump= 0.598263 -0.0766503 -0.307951 -0.73578 28.4953 47.8477 0.248568 # Removing break before 115 # generation 14: best score out of 40: T0187.try1-al10 75.9803 cost/residue, 355 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 49 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 14 ## CrossAndInsert 40 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 23 ## JiggleSubtree 104 ## OptSubtree 32 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # jumping subtree containing (T0187)M1 jump= -0.325297 -0.677742 0.650649 0.107255 -0.858994 30.2151 6.74521 # Removing break before 77 # jumping subtree containing (T0187)V92 jump= 0.953947 -0.0610917 -0.0471736 -0.289877 7.45365 -1.86062 -13.3917 # Removing break before 91 # Removing break before 91 # generation 15: best score out of 40: T0187.try1-al10 75.9803 cost/residue, 355 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 49 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 14 ## CrossAndInsert 40 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 118 ## OptSubtree 44 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # Removing break before 91 # Removing break before 91 # jumping subtree containing (T0187)R26 jump= -0.310683 0.834413 -0.0549349 -0.4519 14.0204 -30.9121 -1.48535 # jumping subtree containing (T0187)L118 jump= 0.364378 -0.654765 0.603197 0.273247 11.2206 46.5429 16.9874 # Removing break before 122 # generation 16: best score out of 40: T0187.try1-al10 75.8025 cost/residue, 373 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 51 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 14 ## CrossAndInsert 40 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 29 ## JiggleSubtree 133 ## OptSubtree 51 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # jumping subtree containing (T0187)E5 jump= 0.697707 0.115021 0.692622 -0.1423 -4.32867 21.9713 39.7769 # Removing break before 106 # Removing break before 91 # Removing break before 40 # Removing break before 91 # Removing break before 91 # generation 17: best score out of 40: T0187.try1-al10 75.8025 cost/residue, 373 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 52 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 40 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 142 ## OptSubtree 63 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # Removing break before 40 # Removing break before 106 # Removing break before 91 # Removing break before 91 # Removing break before 91 # Removing break before 91 # Removing break before 91 # generation 18: best score out of 40: T0187.try1-al10 75.6679 cost/residue, 373 clashes 0.00329319 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 53 ## InsertFragment 54 ## TwoFragment 18 ## CrossOver 18 ## CrossAndInsert 40 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 37 ## JiggleSubtree 160 ## OptSubtree 69 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 91 # Removing break before 91 # Removing break before 91 # jumping subtree containing (T0187)V92 jump= -0.0466553 0.196595 -0.745828 -0.634756 -35.8718 34.9917 -36.347 # Removing break before 91 # Removing break before 91 # Removing break before 91 # jumping subtree containing (T0187)D115 jump= 0.406789 0.474996 0.635906 0.452245 48.5601 -4.37617 -24.4831 # Removing break before 91 # jumping subtree containing (T0187)K62 jump= 0.888331 -0.338132 -0.176849 -0.25546 -24.7197 5.59776 33.2978 # jumping subtree containing (T0187)V92 jump= 0.993821 0.10862 -0.0189357 -0.0127667 -6.07874 23.7744 -13.055 # jumping subtree containing (T0187)V92 jump= 0.999805 -0.0192421 -0.00446261 0.000697114 -3.79033 -10.2604 17.9717 # Removing break before 91 # Removing break before 91 # generation 19: best score out of 40: T0187.try1-al10 75.5652 cost/residue, 381 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 53 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 19 ## CrossAndInsert 41 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 42 ## JiggleSubtree 172 ## OptSubtree 77 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 56 # Removing break before 91 # Removing break before 91 # jumping subtree containing (T0187)F2 jump= -0.14527 0.162729 0.965802 -0.140148 0.812273 -10.1244 -82.4208 # Removing break before 91 # Removing break before 91 # Removing break before 91 # Removing break before 56 # Removing break before 56 # Removing break before 56 # Removing break before 56 # Removing break before 112 # Removing break before 91 # Removing break before 56 # Removing break before 56 # generation 20: best score out of 40: T0187.try1-al10 75.4891 cost/residue, 385 clashes 0.0116242 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 57 ## TwoFragment 18 ## CrossOver 19 ## CrossAndInsert 41 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 43 ## JiggleSubtree 191 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 133 # Removing break before 91 # Removing break before 112 # Removing break before 56 # Removing break before 112 # Removing break before 137 # Removing break before 56 # Removing break before 112 # jumping subtree containing (T0187)L35 jump= -0.342414 -0.489124 0.258289 -0.759472 5.93889 96.3651 3.88196 # Removing break before 91 # generation 21: best score out of 40: T0187.try1-al10 75.4316 cost/residue, 381 clashes 0.0032932 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 57 ## TwoFragment 18 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 45 ## JiggleSubtree 210 ## OptSubtree 96 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L118 jump= 0.972022 -0.0777553 0.221223 0.0137379 16.8333 -7.5112 -10.1218 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.842838 -0.516951 0.14951 -0.0057649 26.059 10.5115 0.0942104 # Removing break before 96 # Removing break before 91 # jumping subtree containing (T0187)F129 jump= 0.999891 -0.00340482 -0.00542977 -0.0132959 -5.97692 -21.1231 9.43907 # Removing break before 56 # jumping subtree containing (T0187)L118 jump= 0.855034 -0.124903 0.3516 -0.36013 1.29247 27.9583 10.8176 # jumping subtree containing (T0187)F129 jump= 0.369928 0.84861 0.132288 0.35428 13.4584 -20.9456 -50.8061 # Removing break before 56 # generation 22: best score out of 40: T0187.try1-al10 75.4316 cost/residue, 381 clashes 0.00329316 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 45 ## JiggleSubtree 227 ## OptSubtree 107 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 56 # Removing break before 96 # jumping subtree containing (T0187)Y57 jump= -0.705805 -0.236953 0.647741 -0.161628 48.5676 24.7328 -16.3068 # Removing break before 96 # jumping subtree containing (T0187)L118 jump= 0.889731 -0.177269 -0.418038 -0.0468903 -30.9714 3.86831 -23.7277 # Removing break before 56 # Removing break before 56 # jumping subtree containing (T0187)M1 jump= 0.42373 -0.255479 -0.199721 -0.845751 -44.5315 29.4669 -9.63852 # Removing break before 56 # jumping subtree containing (T0187)A49 jump= 0.152324 -0.281113 -0.234221 0.918103 -14.8409 -19.519 -21.7297 # Removing break before 96 # Removing break before 56 # generation 23: best score out of 40: T0187.try1-al10 75.3219 cost/residue, 385 clashes 0.0117284 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 45 ## JiggleSubtree 247 ## OptSubtree 118 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 56 # Removing break before 56 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)V92 jump= -0.997437 -0.0200492 -0.0430822 -0.0534901 -0.379059 11.2028 4.77337 # Removing break before 96 # generation 24: best score out of 40: T0187.try1-al10 75.3219 cost/residue, 385 clashes 0.0117284 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 45 ## JiggleSubtree 269 ## OptSubtree 124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 56 # Removing break before 91 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.919065 -0.256169 0.0493558 0.295401 28.5712 12.4469 11.2562 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 56 # Removing break before 56 # Removing break before 56 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # generation 25: best score out of 40: T0187.try1-al10 74.3639 cost/residue, 393 clashes 0.0116242 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 55 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 23 ## CrossAndInsert 42 ## ReduceClash 24 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 45 ## JiggleSubtree 288 ## OptSubtree 133 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.511922 -0.173749 0.698604 0.468721 18.2008 6.66785 -42.0353 # Removing break before 96 # jumping subtree containing (T0187)E140 jump= -0.992479 -0.0726852 0.00869753 0.0981121 -14.3812 -23.034 -4.98667 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # generation 26: best score out of 40: T0187.try1-al10 74.3612 cost/residue, 393 clashes 0.0116242 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 42 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 302 ## OptSubtree 147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T101 jump= -0.580607 -0.10811 0.786967 -0.178579 -28.4662 14.5368 -22.563 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.055597 -0.299996 0.766538 -0.565093 0.530787 -27.5265 -74.7617 # Removing break before 96 # generation 27: best score out of 40: T0187.try1-al10 74.3612 cost/residue, 393 clashes 0.0116242 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 42 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 323 ## OptSubtree 156 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)L37 jump= -0.821966 0.512497 -0.248255 0.00936643 9.14131 -7.76402 20.192 # jumping subtree containing (T0187)T97 jump= 0.939006 -0.279068 0.190079 0.0652629 4.60651 19.0914 1.649 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= -0.0394211 0.126091 0.738749 0.660906 39.4966 -7.61975 -17.9784 # jumping subtree containing (T0187)M1 jump= 0.603719 0.0264635 0.154044 -0.781724 -13.7057 31.6973 -3.28938 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # generation 28: best score out of 40: T0187.try1-al10 74.3612 cost/residue, 393 clashes 0.0116242 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 42 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 344 ## OptSubtree 167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)I19 jump= 0.346222 0.0731039 -0.542102 0.762176 -7.70198 -10.6027 -23.9238 # jumping subtree containing (T0187)T97 jump= 0.990444 -0.00899591 -0.13335 -0.0340294 -4.65754 -3.08162 -21.2354 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= 0.810955 0.357058 -0.376183 0.27083 13.2533 -21.5097 -28.994 # Removing break before 96 # Removing break before 96 # generation 29: best score out of 40: T0187.try1-al10 74.0721 cost/residue, 375 clashes 0.0116242 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 42 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 360 ## OptSubtree 173 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.719343 0.664013 0.189116 -0.0766058 2.32736 27.8122 -41.7152 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # generation 30: best score out of 40: T0187.try1-al10 74.0721 cost/residue, 375 clashes 0.0116242 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 26 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 374 ## OptSubtree 182 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.908579 0.131609 0.229623 -0.323167 44.9632 -22.3252 4.10891 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.945588 -0.0695346 0.135701 -0.287427 9.84966 3.62528 10.7629 # jumping subtree containing (T0187)I141 jump= -0.337304 -0.729469 -0.146971 0.576629 -11.1802 -9.92091 -20.042 # jumping subtree containing (T0187)M1 jump= -0.731855 0.103846 0.150738 0.656416 23.6899 -7.91002 2.57128 # jumping subtree containing (T0187)T97 jump= 0.702185 -0.182277 -0.217347 0.653048 -49.0734 -4.85918 -39.0671 # jumping subtree containing (T0187)T97 jump= 0.906796 0.227989 0.313667 -0.165395 39.4265 -31.829 27.5015 # jumping subtree containing (T0187)T116 jump= 0.864553 0.0822768 -0.206354 0.450774 -23.1046 -8.7233 6.22334 # jumping subtree containing (T0187)G67 jump= -0.850657 0.213708 0.240723 0.41565 -2.76621 4.63856 5.36279 # generation 31: best score out of 40: T0187.try1-al10 73.9798 cost/residue, 375 clashes 0.0158849 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 42 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 386 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.976328 -0.103335 -0.0586377 0.180742 29.2724 -2.19615 7.83372 # jumping subtree containing (T0187)G67 jump= 0.999799 -0.00234415 0.019463 -0.00410727 -16.5847 9.33494 -5.50752 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)G78 jump= -0.417088 0.597935 0.118882 0.674075 40.7504 -1.15088 -31.7615 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.966934 -0.218568 -0.12734 0.032427 18.5857 5.16789 -14.4497 # jumping subtree containing (T0187)T97 jump= 0.972146 -0.172575 -0.1084 0.115753 -16.3593 7.28404 -7.32349 # Removing break before 96 # generation 32: best score out of 40: T0187.try1-al10 73.9798 cost/residue, 375 clashes 0.0158849 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 28 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 402 ## OptSubtree 208 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 140 # jumping subtree containing (T0187)I141 jump= -0.998103 -0.0376796 -0.0305753 0.0379042 16.9264 -13.5412 18.9201 # jumping subtree containing (T0187)T97 jump= 0.318283 0.305548 0.796011 -0.414371 7.91056 -33.6159 -91.2398 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)I141 jump= 0.382969 -0.157356 -0.402807 0.816284 -35.6774 -55.3372 -33.5388 # Removing break before 96 # jumping subtree containing (T0187)I141 jump= 0.772369 -0.316845 -0.446264 0.322342 -52.0123 -2.80789 -46.8294 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)H90 jump= 0.0266683 0.117061 0.954758 0.272072 -1.60352 0.42514 -83.3861 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= 0.274395 -0.482461 -0.746443 -0.367099 36.7577 17.3029 -28.3624 # Removing break before 96 # generation 33: best score out of 40: T0187.try1-al10 73.9798 cost/residue, 375 clashes 0.0158848 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 56 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 29 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 422 ## OptSubtree 218 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S126 jump= 0.716974 -0.461891 -0.505639 -0.130133 28.7812 -10.4632 -26.5175 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 140 # Removing break before 96 # Removing break before 96 # generation 34: best score out of 40: T0187.try1-al10 73.9637 cost/residue, 374 clashes 0.0152689 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 57 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 30 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 434 ## OptSubtree 231 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.567725 0.615211 -0.543297 0.0634974 -26.8363 -20.2186 -38.6194 # jumping subtree containing (T0187)I141 jump= 0.169359 0.671197 0.688959 0.214819 48.6102 -36.1989 -55.7601 # Removing break before 140 # jumping subtree containing (T0187)T97 jump= -0.656565 -0.314607 0.680244 0.0849339 -15.8794 -17.6283 -17.313 # jumping subtree containing (T0187)A49 jump= 0.755371 -0.451443 0.0128502 -0.474815 31.5301 -15.0025 -39.424 # jumping subtree containing (T0187)M1 jump= -0.278195 -0.782479 0.020137 0.556712 -32.5395 -57.4918 -14.8581 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)A49 jump= 0.447416 -0.0916468 -0.337313 -0.823189 -27.8721 -47.517 -2.97339 # Removing break before 96 # generation 35: best score out of 40: T0187.try1-al10 73.9614 cost/residue, 376 clashes 0.0153231 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 32 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 444 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= -0.741594 -0.657388 -0.0381461 -0.128154 33.2151 -65.1647 -41.6976 # Removing break before 140 # jumping subtree containing (T0187)I141 jump= -0.875275 0.203215 0.0469231 0.436343 -14.2826 6.6196 -12.1113 # jumping subtree containing (T0187)M1 jump= -0.363233 -0.267512 0.890178 -0.0638838 -89.3763 -25.3413 -112.631 # jumping subtree containing (T0187)V68 jump= 0.108341 0.222918 -0.946443 0.206918 -37.9933 -59.6189 -120.317 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= -0.527455 0.0942504 -0.83573 -0.120265 32.3639 10.3926 -110.518 # Removing break before 96 # Removing break before 96 # generation 36: best score out of 40: T0187.try1-al10 73.9592 cost/residue, 372 clashes 0.015269 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 33 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 462 ## OptSubtree 254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)I141 jump= 0.596411 -0.15372 -0.0144775 -0.787689 3.37985 -4.9464 -8.24821 # jumping subtree containing (T0187)R39 jump= -0.724407 -0.196474 0.373152 0.545335 -50.5472 -32.8612 40.4739 # jumping subtree containing (T0187)A48 jump= -0.138369 0.669892 -0.715206 0.143454 -41.0855 -40.8949 -92.4585 # jumping subtree containing (T0187)M1 jump= 0.68586 0.403695 -0.16554 0.582429 -0.743345 -59.8466 7.05196 # Removing break before 96 # jumping subtree containing (T0187)I141 jump= -0.559879 -0.56527 0.00394025 -0.605797 8.75193 -48.0313 -11.7452 # jumping subtree containing (T0187)V70 jump= -0.956027 0.168698 -0.141282 -0.193888 12.5193 11.6956 -31.901 # jumping subtree containing (T0187)T97 jump= 0.999745 0.0137871 -0.0119077 -0.0133735 18.8305 12.3671 -11.754 # Removing break before 96 # jumping subtree containing (T0187)A49 jump= 0.901913 -0.00707066 -0.244025 -0.356306 13.0721 -7.22215 6.93505 # Removing break before 96 # Removing break before 96 # generation 37: best score out of 40: T0187.try1-al10 73.8699 cost/residue, 389 clashes 0.015323 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 33 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 481 ## OptSubtree 269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)I41 jump= -0.714347 -0.0860928 0.651931 0.239339 -65.9042 -0.905628 -22.4727 # jumping subtree containing (T0187)V70 jump= -0.395995 0.755401 0.428666 0.297999 30.7487 8.09588 -92.76 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)V70 jump= 0.0294743 0.609155 0.708134 -0.35582 20.0398 -92.9239 -171.116 # jumping subtree containing (T0187)T97 jump= -0.774086 0.255154 0.147913 0.560187 -8.58915 30.2134 -10.032 # generation 38: best score out of 40: T0187.try1-al10 73.8699 cost/residue, 389 clashes 0.015323 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 58 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 33 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 496 ## OptSubtree 285 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= -0.569514 0.127389 0.120112 -0.803118 -52.4573 -29.5814 -11.5843 # Removing break before 96 # jumping subtree containing (T0187)V70 jump= 0.077534 -0.132658 -0.742635 0.651831 17.0918 -75.1278 -100.704 # jumping subtree containing (T0187)T97 jump= -0.937568 0.23096 -0.0754536 -0.248858 7.46661 20.8031 -27.6786 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.998662 0.0488378 -0.0165595 0.00378126 20.0268 8.14616 15.0714 # Removing break before 96 # Removing break before 96 # Removing break before 96 # generation 39: best score out of 40: T0187.try1-al10 73.8301 cost/residue, 390 clashes 0.0357787 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 34 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 515 ## OptSubtree 296 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.745094 0.226711 -0.491516 -0.389678 -27.5541 -25.8971 2.784 # jumping subtree containing (T0187)T97 jump= -0.908775 -0.290404 0.178222 -0.240894 -22.635 -50.4287 -5.7052 # jumping subtree containing (T0187)I141 jump= 0.446756 0.618527 -0.152543 0.628143 -14.8605 -45.5352 2.1272 # jumping subtree containing (T0187)I141 jump= 0.659177 0.116316 -0.44053 0.598239 -56.7291 -50.184 -39.0069 # jumping subtree containing (T0187)T97 jump= 0.598533 -0.501683 -0.402306 -0.477726 58.584 23.3701 -46.3228 # Removing break before 96 # jumping subtree containing (T0187)I141 jump= 0.113459 -0.166165 0.280902 -0.938408 -14.1862 -91.2847 -28.8568 # Removing break before 96 # jumping subtree containing (T0187)I141 jump= -0.807329 -0.198126 -0.483366 -0.274451 39.8538 13.4596 -11.8044 # jumping subtree containing (T0187)I141 jump= 0.316299 0.54512 -0.767197 -0.119196 -50.0075 -56.134 -53.8034 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.98135 0.175906 -0.0424149 0.0648831 -6.11399 17.7341 0.305927 # generation 40: best score out of 40: T0187.try1-al10 73.83 cost/residue, 390 clashes 0.0357787 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 34 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 532 ## OptSubtree 309 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.859937 0.210723 0.435949 -0.161409 27.627 -9.48125 -14.1349 # jumping subtree containing (T0187)A88 jump= -0.930173 0.187291 0.315381 0.0153279 -7.38982 37.11 -18.3175 # jumping subtree containing (T0187)I141 jump= -0.433453 -0.707437 0.251923 0.498183 -40.8377 -42.4238 -28.2585 # Removing break before 96 # generation 41: best score out of 40: T0187.try1-al10 73.6814 cost/residue, 391 clashes 0.0445179 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 64 ## TwoFragment 18 ## CrossOver 35 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 51 ## JiggleSubtree 545 ## OptSubtree 320 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.493833 0.271751 0.824391 0.0515824 29.1709 -5.74567 -76.9267 # jumping subtree containing (T0187)M1 jump= -0.99868 -0.0242457 0.0383627 -0.0240393 16.0365 -8.80924 -0.390311 # jumping subtree containing (T0187)M1 jump= 0.817535 0.184048 0.335115 -0.430651 50.4639 -24.5244 25.118 # jumping subtree containing (T0187)I141 jump= 0.305439 -0.197769 -0.893779 0.26221 -53.0424 -24.6507 -81.3806 # jumping subtree containing (T0187)I141 jump= -0.939018 -0.240538 0.0227975 0.244679 16.2096 0.987808 -6.42922 # generation 42: best score out of 40: T0187.try1-al10 73.6678 cost/residue, 377 clashes 0.0403224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 64 ## TwoFragment 18 ## CrossOver 37 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 60 ## JiggleSubtree 558 ## OptSubtree 332 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= -0.987065 -0.131508 -0.0709521 -0.058082 -4.57436 -26.3551 35.3413 # jumping subtree containing (T0187)T97 jump= -0.721251 -0.392075 0.227225 0.523872 35.7457 6.82837 45.4226 # generation 43: best score out of 40: T0187.try1-al10 73.6677 cost/residue, 377 clashes 0.0403224 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 64 ## TwoFragment 18 ## CrossOver 37 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 68 ## JiggleSubtree 579 ## OptSubtree 340 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L42 jump= 0.828657 -0.235494 -0.251807 -0.440981 14.9873 13.5861 -27.9633 # jumping subtree containing (T0187)I141 jump= 0.854943 0.110642 -0.500326 -0.0806491 0.998467 31.1833 -31.3366 # jumping subtree containing (T0187)I141 jump= 0.277425 0.443217 -0.152588 -0.838637 -32.2409 -19.5647 -9.19612 # jumping subtree containing (T0187)I141 jump= -0.477785 -0.556178 -0.385546 0.560127 30.8371 -59.9589 -27.4058 # generation 44: best score out of 40: T0187.try1-al10 73.5789 cost/residue, 368 clashes 0.0403223 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 65 ## TwoFragment 18 ## CrossOver 38 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 73 ## JiggleSubtree 599 ## OptSubtree 348 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= -0.898415 0.386882 0.0592766 0.199147 12.2678 -9.08009 -26.4091 # jumping subtree containing (T0187)M1 jump= 0.316589 0.212523 -0.0211013 -0.924208 35.0059 -8.84724 23.1936 # jumping subtree containing (T0187)T97 jump= -0.387435 0.86056 0.113112 0.310703 14.9398 11.0252 -39.9262 # generation 45: best score out of 40: T0187.try1-al10 73.553 cost/residue, 375 clashes 0.0409314 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 66 ## TwoFragment 18 ## CrossOver 39 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 76 ## JiggleSubtree 620 ## OptSubtree 357 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= -0.791304 -0.158673 0.581174 0.104396 -27.5566 14.9013 -14.9971 # Removing break before 41 # jumping subtree containing (T0187)I141 jump= -0.751609 0.393475 -0.484485 -0.213391 24.6471 48.7625 -19.4024 # jumping subtree containing (T0187)L118 jump= -0.19034 -0.951156 -0.12125 -0.210644 1.68671 -88.2129 -55.9572 # jumping subtree containing (T0187)L42 jump= -0.353839 0.0496849 0.929375 -0.0926878 48.8769 18.9774 -71.2493 # jumping subtree containing (T0187)T97 jump= 0.138936 0.988853 0.0335723 -0.0417145 4.63633 -77.3092 -88.2702 # jumping subtree containing (T0187)T97 jump= 0.25817 -0.557203 0.623452 -0.483923 11.2523 -15.3357 -62.2774 # Removing break before 41 # generation 46: best score out of 40: T0187.try1-al10 73.2863 cost/residue, 340 clashes 0.0403222 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 68 ## TwoFragment 18 ## CrossOver 40 ## CrossAndInsert 43 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 82 ## JiggleSubtree 638 ## OptSubtree 366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K17 jump= 0.181537 -0.304398 0.275985 0.893431 -16.3356 -45.8182 0.444414 # jumping subtree containing (T0187)L148 jump= 0.99915 0.00615853 0.0385307 0.0132725 21.1533 -5.6249 -16.5225 # jumping subtree containing (T0187)T97 jump= -0.103484 0.59227 0.551882 0.577869 66.0837 -20.5574 -41.5073 # jumping subtree containing (T0187)T101 jump= 0.467879 -0.73681 0.150069 -0.464413 47.4738 -11.3706 -72.3596 # generation 47: best score out of 40: T0187.try1-al10 73.2863 cost/residue, 340 clashes 0.0403222 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 68 ## TwoFragment 18 ## CrossOver 41 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 83 ## JiggleSubtree 661 ## OptSubtree 376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing (T0187)I141 jump= -0.767291 -0.132564 -0.344908 -0.524146 4.02025 -12.3809 -11.5695 # jumping subtree containing (T0187)T97 jump= 0.87255 -0.0274701 -0.0304274 0.486802 -23.7474 -26.1172 11.7172 # jumping subtree containing (T0187)M1 jump= -0.0505476 0.135785 -0.0773208 -0.986422 29.4444 -68.1284 0.949636 # jumping subtree containing (T0187)I141 jump= -0.89221 -0.0680853 -0.392071 0.213557 39.0046 -28.62 1.09416 # jumping subtree containing (T0187)T97 jump= -0.999173 0.018364 -0.0175511 0.0317548 23.0427 6.3997 16.657 # jumping subtree containing (T0187)M1 jump= -0.962005 -0.0783858 0.0980783 -0.242452 -25.2447 -11.0246 4.56999 # generation 48: best score out of 40: T0187.try1-al10 73.1713 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 42 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 92 ## JiggleSubtree 674 ## OptSubtree 387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= 0.919731 0.26396 -0.20385 0.207039 -10.7717 -12.7197 -9.78675 # jumping subtree containing (T0187)E113 jump= -0.789931 0.00814036 -0.12329 -0.600619 -37.2853 -19.4626 26.312 # jumping subtree containing (T0187)Q142 jump= 0.280071 -0.464644 0.164291 0.823818 -47.0394 -18.205 4.59544 # jumping subtree containing (T0187)T97 jump= 0.701457 0.292554 0.469194 0.449697 17.3307 25.2721 -30.7757 # jumping subtree containing (T0187)L42 jump= 0.112396 -0.136584 0.811279 -0.557259 -20.1975 -45.8838 -64.572 # generation 49: best score out of 40: T0187.try1-al10 73.1713 cost/residue, 338 clashes 0.0409313 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 43 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 695 ## OptSubtree 398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I14 jump= -0.721737 0.611074 0.134138 -0.296128 -26.6671 18.4306 -39.734 # Removing break before 41 # Removing break before 141 # jumping subtree containing (T0187)Q142 jump= 0.973286 -0.150856 0.172714 -0.0112372 31.4271 3.09156 -6.51068 # generation 50: best score out of 40: T0187.try1-al10 73.1713 cost/residue, 338 clashes 0.0409313 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 45 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 718 ## OptSubtree 408 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L42 jump= 0.71366 0.620976 -0.0946504 0.310032 -13.0813 -78.547 -43.0244 # Removing break before 41 # jumping subtree containing (T0187)M1 jump= 0.689951 -0.692943 0.20023 -0.0608715 15.302 54.9258 -79.9193 # jumping subtree containing (T0187)P93 jump= 0.782092 0.0394928 -0.526474 0.331055 -80.3742 -37.708 -33.4394 # jumping subtree containing (T0187)P93 jump= -0.702036 0.159731 0.0171336 -0.693785 -19.7729 -14.6301 6.39289 # generation 51: best score out of 40: T0187.try1-al10 73.1712 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 47 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 731 ## OptSubtree 417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.027265 0.864428 -0.501683 0.0183172 -23.6041 -43.5308 -125.779 # Removing break before 141 # jumping subtree containing (T0187)L133 jump= -0.369676 -0.32208 0.0446092 0.87041 -26.7052 -52.8961 11.4314 # jumping subtree containing (T0187)L133 jump= -0.689855 -0.622684 0.0764672 -0.361271 20.9765 -59.6968 -52.2915 # Removing break before 41 # jumping subtree containing (T0187)T97 jump= 0.988012 0.00289711 0.124616 -0.0910767 5.69584 -11.6019 -23.0473 # generation 52: best score out of 40: T0187.try1-al10 73.1712 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 49 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 740 ## OptSubtree 430 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing (T0187)M1 jump= 0.840281 -0.100846 -0.532139 -0.0242035 -30.3865 15.0293 -48.9379 # jumping subtree containing (T0187)L42 jump= 0.647249 0.226129 0.38304 0.619044 59.6093 39.0302 -34.8976 # Removing break before 41 # jumping subtree containing (T0187)L42 jump= 0.878622 -0.11737 0.277755 0.370269 27.3096 0.12265 -6.89317 # jumping subtree containing (T0187)S18 jump= -0.995523 -0.0754521 0.0249733 0.0511606 -8.95511 -3.87244 25.5841 # jumping subtree containing (T0187)M1 jump= -0.386889 -0.0967872 0.34926 -0.847919 20.1224 -72.4908 -36.0541 # jumping subtree containing (T0187)L121 jump= -0.744597 0.616773 0.242016 0.0812064 -5.44033 25.4658 -87.7211 # generation 53: best score out of 40: T0187.try1-al10 73.1711 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 51 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 752 ## OptSubtree 440 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing (T0187)Y73 jump= 0.64589 -0.472759 0.0247348 -0.598928 50.2601 -21.9849 -47.3764 # jumping subtree containing (T0187)L42 jump= 0.993748 -0.0966944 0.0385139 0.0404009 27.0222 20.6397 -19.4416 # Removing break before 41 # Removing break before 41 # jumping subtree containing (T0187)L138 jump= 0.704033 -0.146634 -0.618335 -0.317014 -86.4673 26.3939 -59.6371 # generation 54: best score out of 40: T0187.try1-al10 73.1711 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 56 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 764 ## OptSubtree 447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.724858 0.133049 0.603067 0.305268 68.9008 -12.1235 -45.445 # jumping subtree containing (T0187)Q142 jump= 0.79745 0.376473 0.147625 0.447826 8.19077 -29.9074 4.78838 # Removing break before 41 # jumping subtree containing (T0187)L148 jump= 0.639287 0.302992 -0.704873 -0.0515967 -54.4532 9.48289 -62.8641 # jumping subtree containing (T0187)M1 jump= 0.526444 0.513046 -0.662535 0.143829 -80.2188 -66.5113 -81.5289 # generation 55: best score out of 40: T0187.try1-al10 73.1711 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 57 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 777 ## OptSubtree 457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.410371 -0.675064 -0.571236 0.222653 -55.3852 -9.00636 -163.092 # Removing break before 41 # jumping subtree containing (T0187)L42 jump= -0.989869 0.103485 -0.0967611 0.00934851 35.1469 6.61861 -3.73561 # jumping subtree containing (T0187)P93 jump= 0.222326 -0.245424 -0.253485 -0.908892 88.0378 -9.24331 -16.5757 # Removing break before 41 # jumping subtree containing (T0187)L42 jump= 0.412817 0.304475 0.0599774 0.856317 30.1701 -18.1852 -17.5487 # jumping subtree containing (T0187)T97 jump= 0.921162 0.160663 -0.0957692 -0.341286 6.59852 -4.00378 3.39079 # jumping subtree containing (T0187)P93 jump= 0.949695 0.12278 -0.0640816 -0.280889 -25.4322 -24.8946 -10.2823 # jumping subtree containing (T0187)P93 jump= 0.0947125 0.902895 0.0783656 0.411909 60.8395 -38.5545 -108.361 # generation 56: best score out of 40: T0187.try1-al10 73.171 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 58 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 786 ## OptSubtree 471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.999182 0.0147164 -0.0349877 0.0139519 20.297 -13.7665 -6.7161 # jumping subtree containing (T0187)K62 jump= 0.535913 0.00265474 -0.615424 0.577965 -58.3088 -10.4021 -11.5183 # jumping subtree containing (T0187)K16 jump= -0.331686 -0.192949 0.92027 -0.0765359 -35.4945 -20.698 -177.258 # jumping subtree containing (T0187)L42 jump= 0.930816 0.252216 0.000772 -0.264514 -3.51323 -21.5395 11.6884 # jumping subtree containing (T0187)M1 jump= -0.58676 -0.709445 -0.0680426 0.38441 -60.8976 -78.697 -70.0752 # jumping subtree containing (T0187)M1 jump= 0.95884 -0.0796487 0.222047 0.158044 20.0088 -9.75579 12.2866 # jumping subtree containing (T0187)Q142 jump= 0.688339 0.0485574 -0.488903 -0.533672 -77.2298 34.3203 -35.1733 # jumping subtree containing (T0187)V104 jump= -0.997136 0.0353855 0.00994888 -0.0660948 6.59089 4.71183 18.5997 # generation 57: best score out of 40: T0187.try1-al10 73.171 cost/residue, 338 clashes 0.0409312 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 60 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 792 ## OptSubtree 487 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 141 # Removing break before 41 # jumping subtree containing (T0187)V104 jump= 0.818093 0.084931 -0.265806 0.502849 -46.7642 -33.3924 -16.7254 # Removing break before 41 # Removing break before 41 # jumping subtree containing (T0187)M1 jump= -0.0622413 0.29343 -0.600118 0.741541 92.3228 -66.2435 -80.5429 # jumping subtree containing (T0187)T97 jump= -0.164619 0.373161 0.0722411 0.910183 50.7463 18.6082 -28.0197 # Removing break before 41 # generation 58: best score out of 40: T0187.try1-al10 73.1709 cost/residue, 338 clashes 0.0409315 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 60 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 801 ## OptSubtree 502 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.172911 0.497357 0.846981 0.0732167 -3.00166 21.3675 -169.87 # jumping subtree containing (T0187)T97 jump= -0.685939 0.134358 -0.714732 -0.0243744 89.9673 22.7493 -110.476 # jumping subtree containing (T0187)V104 jump= -0.99803 -0.0354026 -0.0225209 -0.0466364 3.98203 -12.2771 -24.1184 # generation 59: best score out of 40: T0187.try1-al10 73.1707 cost/residue, 338 clashes 0.0409315 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 69 ## TwoFragment 18 ## CrossOver 62 ## CrossAndInsert 43 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 804 ## OptSubtree 521 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y57 jump= 0.927349 0.244878 0.275928 -0.0626287 60.3633 -81.3386 -16.0779 # jumping subtree containing (T0187)L42 jump= -0.989908 0.127565 -0.00732294 -0.0612835 -9.66549 14.2783 16.5369 # jumping subtree containing (T0187)Q142 jump= 0.84462 -0.441589 -0.262342 -0.150975 -36.2429 78.4895 -54.5437 # Removing break before 41 # jumping subtree containing (T0187)T97 jump= -0.305047 -0.244271 -0.792296 -0.468557 117.816 8.87955 -95.4062 # generation 60: best score out of 40: T0187.try1-al10 72.9198 cost/residue, 347 clashes 0.0500868 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 70 ## TwoFragment 18 ## CrossOver 62 ## CrossAndInsert 43 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 804 ## OptSubtree 543 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L37 jump= 0.178406 0.378196 -0.817508 -0.396004 -87.0733 43.2499 -139.689 # jumping subtree containing (T0187)T97 jump= 0.314451 0.461537 0.258213 0.788308 98.9896 -62.7576 -35.939 # jumping subtree containing (T0187)Q142 jump= 0.564414 0.422628 0.667351 0.239718 164.868 -49.1935 -101.285 # jumping subtree containing (T0187)L37 jump= 0.809877 -0.404442 -0.124 0.406387 -66.0367 -2.53724 -76.1258 # Removing break before 96 # Removing break before 141 # Removing break before 41 # Removing break before 96 # Removing break before 41 # generation 61: best score out of 40: T0187.try1-al10 72.801 cost/residue, 374 clashes 0.0500866 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 63 ## CrossAndInsert 43 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 822 ## OptSubtree 555 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.0576965 0.242372 -0.379005 -0.891225 7.71925 27.7126 -1.8101 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.357421 -0.60754 0.0604713 -0.706745 105.618 -147.1 -104.024 # Removing break before 96 # Removing break before 96 # Removing break before 96 # Removing break before 118 # Removing break before 41 # generation 62: best score out of 40: T0187.try1-al10 72.8009 cost/residue, 374 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 65 ## CrossAndInsert 43 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 841 ## OptSubtree 567 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)K150 jump= 0.39176 -0.496643 0.533686 0.561292 -18.0011 32.8593 -48.4596 # jumping subtree containing (T0187)H75 jump= 0.460647 0.327128 0.639698 -0.521131 129.066 -154.814 -79.1523 # Removing break before 96 # Removing break before 41 # Removing break before 118 # Removing break before 41 # jumping subtree containing (T0187)Q142 jump= 0.717006 0.285434 0.122938 0.623952 48.8714 -84.7965 8.45683 # jumping subtree containing (T0187)M1 jump= -0.124509 0.696866 -0.0440993 -0.704933 -120.52 -81.7007 -78.6833 # Removing break before 118 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.84893 0.27557 0.0268678 0.450175 57.8096 46.9149 -21.5554 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.858611 -0.122324 0.124293 0.482053 27.549 42.6269 10.633 # Removing break before 96 # generation 63: best score out of 40: T0187.try1-al10 72.8009 cost/residue, 374 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 68 ## CrossAndInsert 43 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 857 ## OptSubtree 578 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)F119 jump= -0.193048 0.607324 -0.355556 -0.683718 -76.3299 19.8313 -75.8162 # Removing break before 118 # jumping subtree containing (T0187)K47 jump= 0.763613 0.250766 -0.58395 0.114077 -90.2806 -25.9277 -83.2395 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.938906 -0.226971 0.0206775 0.257899 -25.4442 24.8985 -29.0337 # jumping subtree containing (T0187)T97 jump= 0.152786 -0.721508 -0.617604 0.273217 6.07969 -115.842 -191.185 # jumping subtree containing (T0187)M1 jump= 0.248324 -0.89313 0.249136 -0.280331 65.2615 -19.9569 -217.032 # Removing break before 96 # Removing break before 118 # generation 64: best score out of 40: T0187.try1-al10 72.8009 cost/residue, 374 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 70 ## CrossAndInsert 43 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 867 ## OptSubtree 590 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)Y73 jump= -0.762439 0.354543 0.539823 0.0397031 -9.62946 44.6084 -130.743 # Removing break before 118 # Removing break before 96 # Removing break before 41 # Removing break before 96 # Removing break before 41 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= 0.761675 0.634987 -0.0989003 -0.082828 -45.248 -135.243 -67.6248 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= 0.759833 0.157759 -0.492619 -0.393818 -53.8778 6.42443 -47.9217 # jumping subtree containing (T0187)Q142 jump= 0.633915 0.172514 -0.706216 -0.26391 -73.8078 7.32887 -123.277 # jumping subtree containing (T0187)Q142 jump= 0.988253 -0.111388 0.0748785 -0.0730834 4.76033 44.04 -13.7099 # Removing break before 96 # Removing break before 96 # generation 65: best score out of 40: T0187.try1-al10 72.8009 cost/residue, 374 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 72 ## CrossAndInsert 43 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 880 ## OptSubtree 599 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.992756 -0.0369225 -0.00907775 0.113975 28.012 12.5994 24.1323 # Removing break before 118 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)F119 jump= 0.99511 -0.0291118 -0.0313073 0.0890405 -22.372 -14.7715 6.91645 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= 0.997164 0.0219513 0.0632467 0.034381 20.795 6.15377 -14.5252 # Removing break before 41 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)F2 jump= 0.53632 -0.83216 0.0126959 0.14039 -16.0862 40.2394 -175.579 # Removing break before 41 # jumping subtree containing (T0187)L42 jump= -0.731344 -0.652796 -0.195601 0.0270884 53.4751 -120.85 -34.4684 # generation 66: best score out of 40: T0187.try1-al10 72.8009 cost/residue, 374 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 72 ## CrossAndInsert 43 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 885 ## OptSubtree 618 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.998882 0.0120946 -0.0375208 0.0260902 -2.04684 -8.85584 -4.85725 # Removing break before 41 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)L42 jump= 0.746919 0.423487 -0.470096 0.204404 -86.6089 -118.109 -89.5535 # Removing break before 96 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.994514 -0.0939492 -0.0456876 0.00532098 3.91365 -35.5093 -2.78736 # jumping subtree containing (T0187)L32 jump= -0.193916 0.390343 -0.898002 -0.0601688 43.3223 45.6708 -153.785 # Removing break before 141 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.690212 -0.668609 -0.275019 -0.0305688 -7.74071 21.204 -151.876 # Removing break before 41 # generation 67: best score out of 40: T0187.try1-al10 72.5761 cost/residue, 350 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 74 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 891 ## OptSubtree 632 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.831112 -0.273143 -0.462955 -0.14254 -37.2381 69.1084 -120.512 # Removing break before 118 # jumping subtree containing (T0187)L42 jump= 0.964772 0.251114 0.0686693 -0.037958 -0.0371084 -71.5583 7.6377 # Removing break before 96 # Removing break before 41 # jumping subtree containing (T0187)F119 jump= 0.0237385 -0.799961 -0.211752 0.560946 -64.9285 -112.353 -152.069 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= 0.998852 0.00592095 0.0455502 -0.013606 15.9843 10.8629 16.3574 # jumping subtree containing (T0187)H90 jump= 0.990264 -0.113743 -0.0313024 -0.0738972 -19.9435 15.3106 -22.4766 # Removing break before 96 # Removing break before 118 # Removing break before 96 # generation 68: best score out of 40: T0187.try1-al10 72.5761 cost/residue, 350 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 74 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 912 ## OptSubtree 639 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= -0.912348 0.115058 -0.294465 -0.26014 29.6579 -7.18067 -23.3512 # Removing break before 118 # jumping subtree containing (T0187)I19 jump= 0.132429 0.647968 -0.28058 0.695611 118.18 -78.1988 -130.155 # Removing break before 118 # jumping subtree containing (T0187)M1 jump= 0.446445 0.0586346 0.478575 0.753801 105.391 12.9075 5.43041 # jumping subtree containing (T0187)L42 jump= 0.767653 -0.6142 0.17968 -0.0343964 14.7415 72.1894 -120.126 # jumping subtree containing (T0187)Q142 jump= -0.946879 0.249135 -0.132701 0.154089 46.6264 68.4361 -44.8261 # Removing break before 41 # generation 69: best score out of 40: T0187.try1-al10 72.5761 cost/residue, 350 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 74 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 930 ## OptSubtree 653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.988202 -0.0874726 -0.125215 -0.0112537 -21.6086 29.2866 -44.2881 # jumping subtree containing (T0187)L131 jump= -0.996167 0.0128961 0.081269 -0.0296723 -10.0443 -16.5522 -4.79504 # jumping subtree containing (T0187)T97 jump= -0.416117 -0.0381893 0.10457 0.902471 100.447 -14.7741 -9.6002 # jumping subtree containing (T0187)M1 jump= -0.971994 -0.116286 -0.164253 0.121347 39.4785 -26.5683 13.2912 # Removing break before 118 # jumping subtree containing (T0187)L131 jump= -0.977704 0.136321 0.114963 0.110881 6.34351 37.2871 -39.7714 # jumping subtree containing (T0187)L131 jump= 0.87349 -0.00203678 0.288961 0.391807 52.3962 7.72629 6.55818 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)P93 jump= -0.917846 -0.113951 -0.299006 -0.234881 51.0821 -20.6176 -5.63107 # jumping subtree containing (T0187)T97 jump= 0.994093 -0.0370017 -0.0518814 -0.0878509 -17.2505 26.4435 -22.2717 # generation 70: best score out of 40: T0187.try1-al10 72.5761 cost/residue, 350 clashes 0.0500865 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 72 ## TwoFragment 18 ## CrossOver 76 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 940 ## OptSubtree 665 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.749061 -0.330432 0.504385 -0.274443 -55.8648 -98.3688 -99.5645 # Removing break before 118 # jumping subtree containing (T0187)L131 jump= -0.944076 0.303318 0.0178835 -0.128056 -14.5646 62.6648 -14.2298 # generation 71: best score out of 40: T0187.try1-al10 72.5699 cost/residue, 352 clashes 0.057757 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 73 ## TwoFragment 18 ## CrossOver 81 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 949 ## OptSubtree 674 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L42 jump= 0.984354 0.0269371 -0.0550351 0.165206 -36.756 -5.34195 12.246 # Removing break before 118 # jumping subtree containing (T0187)P93 jump= 0.798357 0.0677044 -0.014701 0.598185 -39.6734 -62.764 21.9667 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.961816 0.0516499 0.0869419 -0.25433 -21.1171 -35.9599 -28.1222 # Removing break before 96 # generation 72: best score out of 40: T0187.try1-al10 72.5699 cost/residue, 352 clashes 0.057757 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 73 ## TwoFragment 18 ## CrossOver 83 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 953 ## OptSubtree 692 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 118 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)L131 jump= -0.385633 -0.314329 -0.0107099 -0.867393 70.5248 -97.618 -32.5012 # Removing break before 96 # jumping subtree containing (T0187)I19 jump= 0.191177 -0.313138 -0.837811 -0.404312 72.2303 45.6967 -167.543 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= 0.784643 -0.531517 0.115189 -0.297585 61.8001 62.9765 -72.9589 # jumping subtree containing (T0187)Q142 jump= 0.56912 -0.622588 0.281837 -0.457225 101.994 9.87542 -155.231 # jumping subtree containing (T0187)M1 jump= 0.274806 0.341115 0.113071 0.891817 162.862 -81.1677 -45.6569 # Removing break before 118 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.999797 0.00643545 -0.000565951 0.0190667 -24.2387 -8.93515 -7.50855 # Removing break before 41 # jumping subtree containing (T0187)E130 jump= -0.971387 -0.0256859 0.21931 -0.087462 -34.0553 -32.5124 -18.0616 # generation 73: best score out of 40: T0187.try1-al10 72.5696 cost/residue, 352 clashes 0.057757 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 73 ## TwoFragment 18 ## CrossOver 84 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 971 ## OptSubtree 705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= -0.97605 0.0995799 -0.113286 0.156772 50.5122 17.041 -18.1847 # jumping subtree containing (T0187)L131 jump= 0.409771 -0.300787 -0.777797 -0.369657 59.5447 27.6795 -122.384 # jumping subtree containing (T0187)M1 jump= -0.354165 0.514888 0.0379522 -0.779755 -15.8822 -60.7687 2.6455 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= -0.634922 -0.746167 0.125479 -0.15609 -27.437 -142.592 -100.198 # jumping subtree containing (T0187)L131 jump= 0.992356 -0.0021266 0.0936117 -0.0803798 6.80551 13.7715 13.0648 # jumping subtree containing (T0187)L131 jump= 0.315689 -0.48758 -0.526572 0.620749 -18.7436 -111.659 -85.6396 # jumping subtree containing (T0187)P93 jump= -0.98429 0.0848322 -0.100972 -0.117395 8.56415 22.5648 -1.11309 # Removing break before 118 # generation 74: best score out of 40: T0187.try1-al10 72.5696 cost/residue, 352 clashes 0.057757 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 73 ## TwoFragment 18 ## CrossOver 85 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 980 ## OptSubtree 719 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= -0.915979 0.209054 -0.220894 -0.261696 31.994 -4.68451 -9.1611 # Removing break before 96 # jumping subtree containing (T0187)L42 jump= 0.105378 0.188152 -0.749336 -0.626091 38.0087 82.8501 -105.306 # jumping subtree containing (T0187)Q142 jump= -0.18767 -0.542239 -0.451709 -0.683166 128.221 -63.2529 -92.2544 # jumping subtree containing (T0187)K54 jump= -0.940861 -0.226757 -0.133452 -0.21343 28.8134 -43.518 12.3699 # Removing break before 41 # Removing break before 41 # jumping subtree containing (T0187)L42 jump= 0.995168 0.0625711 0.053674 -0.0533311 11.0292 -19.6833 21.077 # jumping subtree containing (T0187)M1 jump= 0.538083 -0.0904153 -0.571955 -0.612503 35.2975 61.7767 -77.4318 # generation 75: best score out of 40: T0187.try1-al10 72.5696 cost/residue, 352 clashes 0.057757 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 73 ## TwoFragment 18 ## CrossOver 86 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 990 ## OptSubtree 732 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing (T0187)V22 jump= -0.942651 -0.0739356 -0.047184 -0.322051 -19.4318 -39.3584 18.4083 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)H90 jump= -0.979306 -0.167977 0.0796128 0.080033 -13.3888 -16.8591 31.7853 # Removing break before 96 # jumping subtree containing (T0187)L42 jump= 0.11028 -0.363701 -0.784046 0.490746 47.8316 -121.35 -172.556 # jumping subtree containing (T0187)L131 jump= -0.764261 0.243342 -0.467657 -0.371465 72.1514 51.5284 -22.3343 # Removing break before 41 # jumping subtree containing (T0187)K54 jump= 0.996559 0.0683333 -0.0403217 0.0239568 -13.8149 -4.02673 13.8913 # Removing break before 141 # jumping subtree containing (T0187)L131 jump= 0.745786 0.418441 0.443239 -0.268793 88.388 -101.406 -29.6679 # jumping subtree containing (T0187)Q142 jump= -0.832861 -0.277938 0.434789 0.200131 -78.3097 -12.2797 -26.2687 # Removing break before 96 # Removing break before 118 # generation 76: best score out of 40: T0187.try1-al10 72.5696 cost/residue, 352 clashes 0.057757 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 73 ## TwoFragment 18 ## CrossOver 87 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 997 ## OptSubtree 748 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= 0.316137 -0.306107 -0.413144 -0.797288 149.027 11.9324 -58.5579 # Removing break before 41 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.793963 0.206623 0.539753 -0.188672 -48.4135 -52.0299 -133.612 # Removing break before 118 # jumping subtree containing (T0187)M1 jump= -0.837515 0.307524 -0.230465 -0.388436 15.1382 60.1787 -32.8289 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= 0.529263 -0.11192 -0.599086 -0.590297 12.0362 99.9648 -82.1457 # jumping subtree containing (T0187)L131 jump= 0.637953 -0.316196 0.0424282 -0.700882 117.814 19.4631 -55.5237 # Removing break before 41 # jumping subtree containing (T0187)M1 jump= -0.445152 0.58065 -0.360346 0.578651 120.225 23.7604 -124.393 # Removing break before 41 # generation 77: best score out of 40: T0187.try1-al10 72.2273 cost/residue, 352 clashes 0.0572335 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 90 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 1002 ## OptSubtree 763 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.217949 0.910906 -0.0570773 0.345673 73.6899 4.27054 -218.971 # Removing break before 41 # Removing break before 41 # jumping subtree containing (T0187)P93 jump= -0.472458 0.0979306 -0.0107288 0.87583 125.553 -42.4068 5.23129 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= -0.818936 0.323542 -0.0274316 0.473192 89.9527 92.6625 -39.5473 # Removing break before 41 # jumping subtree containing (T0187)K54 jump= -0.991451 0.0472721 0.0736782 0.0967578 9.65032 21.3919 -17.2311 # jumping subtree containing (T0187)P93 jump= 0.163474 -0.284357 -0.932514 -0.15111 62.7217 17.3422 -190.653 # jumping subtree containing (T0187)T97 jump= 0.296677 0.777181 -0.547742 0.0891721 -29.6678 -72.5392 -193.868 # Removing break before 41 # Removing break before 96 # Removing break before 41 # generation 78: best score out of 40: T0187.try1-al10 72.2273 cost/residue, 352 clashes 0.0572335 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 93 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 1011 ## OptSubtree 775 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 141 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)P93 jump= -0.893634 -0.363185 0.0822378 0.250503 -24.081 -75.4356 14.1319 # jumping subtree containing (T0187)Q142 jump= -0.304295 -0.504967 0.684913 0.428144 -11.0089 51.9497 -100.248 # Removing break before 118 # jumping subtree containing (T0187)D38 jump= -0.824136 -0.334737 0.215767 -0.402735 -57.9989 -130.87 -42.979 # Removing break before 96 # Removing break before 118 # Removing break before 118 # Removing break before 118 # generation 79: best score out of 40: T0187.try1-al10 72.2273 cost/residue, 352 clashes 0.0572335 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 93 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 1027 ## OptSubtree 795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L148 jump= -0.440726 -0.883707 -0.113169 -0.109615 45.2809 -116.943 -112.793 # jumping subtree containing (T0187)L42 jump= -0.93568 0.115326 0.234418 0.237171 -9.77026 7.52501 -40.2389 # Removing break before 118 # jumping subtree containing (T0187)M1 jump= 0.669227 0.619247 0.398616 -0.0988654 99.4652 -131.143 -59.8205 # Removing break before 141 # jumping subtree containing (T0187)P93 jump= 0.489473 -0.402435 -0.638797 -0.436349 65.125 36.3223 -118.95 # Removing break before 96 # jumping subtree containing (T0187)H90 jump= 0.42734 -0.121171 -0.882098 0.156846 -31.7369 -34.2205 -198.239 # jumping subtree containing (T0187)L42 jump= -0.166246 0.483329 0.265763 -0.817389 -40.8124 -125.861 -57.7208 # jumping subtree containing (T0187)M1 jump= 0.532435 0.535768 -0.588902 -0.287507 -91.3529 -10.609 -87.7396 # Removing break before 96 # generation 80: best score out of 40: T0187.try1-al10 72.2273 cost/residue, 352 clashes 0.0572335 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 94 ## CrossAndInsert 44 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 1036 ## OptSubtree 811 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.0124293 0.160905 -0.0830747 -0.983389 43.1535 -53.2501 16.5766 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.626076 -0.337158 -0.655984 0.25306 121.271 -108.892 -61.0245 # jumping subtree containing (T0187)Q142 jump= 0.725772 0.136691 -0.429099 -0.520043 -30.6383 37.9216 -21.1123 # Removing break before 118 # jumping subtree containing (T0187)E139 jump= 0.557921 -0.31872 0.0238462 0.765881 -3.6133 -52.021 13.7288 # jumping subtree containing (T0187)Q142 jump= 0.999188 -0.0130367 0.0293197 -0.0243842 14.4936 -8.00902 -9.33204 # Removing break before 96 # Removing break before 96 # generation 81: best score out of 40: T0187.try1-al10 71.997 cost/residue, 376 clashes 0.0781904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 94 ## CrossAndInsert 44 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 97 ## JiggleSubtree 1044 ## OptSubtree 826 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= -0.579876 0.624068 -0.509844 -0.119755 34.1134 31.2053 -152.583 # Removing break before 118 # jumping subtree containing (T0187)M1 jump= -0.727104 -0.366249 0.0562071 -0.577947 25.0591 -130.392 -37.2775 # jumping subtree containing (T0187)L42 jump= 0.992128 -0.0321676 0.119124 -0.0213637 9.46801 5.64664 -14.555 # jumping subtree containing (T0187)T97 jump= -0.962271 -0.0105999 -0.107491 0.249738 49.6392 8.48796 -15.8647 # jumping subtree containing (T0187)T97 jump= -0.526015 -0.11974 -0.211391 0.815036 109.484 -101.901 -36.8604 # Removing break before 118 # Removing break before 96 # generation 82: best score out of 40: T0187.try1-al10 71.997 cost/residue, 376 clashes 0.0781904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 96 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 98 ## JiggleSubtree 1051 ## OptSubtree 839 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.997891 -0.0548535 -0.0334097 -0.00940216 -4.41346 -18.9058 19.954 # jumping subtree containing (T0187)Q142 jump= 0.992999 0.00109151 0.0203459 -0.116353 24.5387 -10.8826 24.4131 # jumping subtree containing (T0187)F119 jump= 0.206733 -0.861514 0.304725 0.349569 -65.201 6.51882 -190.903 # jumping subtree containing (T0187)T97 jump= 0.790672 0.531952 0.078443 0.292767 47.9882 -119.811 -11.4642 # jumping subtree containing (T0187)Q142 jump= 0.413709 -0.436687 0.682626 -0.414936 143.222 -43.4891 -169.49 # jumping subtree containing (T0187)K72 jump= -0.999841 -0.00491767 0.00321299 0.0168227 -16.4449 16.1373 1.23131 # jumping subtree containing (T0187)Q142 jump= -0.981717 0.0888769 0.0969732 -0.137584 -39.5105 20.0541 -10.4726 # generation 83: best score out of 40: T0187.try1-al10 71.9967 cost/residue, 376 clashes 0.0781904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 96 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 98 ## JiggleSubtree 1072 ## OptSubtree 854 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 141 # jumping subtree containing (T0187)H90 jump= -0.96759 0.164254 0.174535 -0.0795517 -40.2413 14.2871 -71.4256 # Removing break before 96 # jumping subtree containing (T0187)G74 jump= -0.347775 -0.248776 0.130803 0.894457 48.0216 -36.1125 37.3409 # Removing break before 96 # Removing break before 118 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)M1 jump= -0.989089 -0.0894304 0.025988 0.114149 1.83094 14.3599 -14.2108 # jumping subtree containing (T0187)Q142 jump= 0.242554 -0.253578 0.758332 0.549362 46.1019 106.575 -77.3255 # jumping subtree containing (T0187)L42 jump= 0.0244757 -0.917125 0.10464 -0.383841 37.4301 -81.9963 -155.43 # generation 84: best score out of 40: T0187.try1-al10 71.9967 cost/residue, 376 clashes 0.0781904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 96 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 99 ## JiggleSubtree 1082 ## OptSubtree 867 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)R39 jump= 0.454125 0.604186 0.549784 -0.355622 86.4787 -156.249 -119.991 # jumping subtree containing (T0187)M1 jump= -0.930754 -0.329466 0.137901 0.0783125 -34.8176 -58.3453 -33.021 # jumping subtree containing (T0187)E58 jump= 0.999995 0.00091789 0.00121292 -0.00270593 18.493 -14.7995 8.11975 # jumping subtree containing (T0187)L131 jump= 0.746309 0.0634133 -0.353663 -0.560289 -9.74208 47.6273 -25.6669 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)K54 jump= 0.172034 -0.896572 0.359804 -0.192622 26.5208 -16.0055 -255.328 # generation 85: best score out of 40: T0187.try1-al10 71.9967 cost/residue, 376 clashes 0.0781904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 96 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 99 ## JiggleSubtree 1095 ## OptSubtree 878 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= -0.992703 -0.0668017 -0.0574736 0.0823096 17.7031 -39.697 5.35921 # jumping subtree containing (T0187)F119 jump= 0.706159 0.063719 -0.313302 -0.63176 -9.80922 6.00621 0.687099 # jumping subtree containing (T0187)Q142 jump= 0.2636 0.694792 -0.562792 0.362001 1.52016 -142.607 -167.006 # Removing break before 96 # Removing break before 118 # Removing break before 118 # generation 86: best score out of 40: T0187.try1-al10 71.9967 cost/residue, 376 clashes 0.0781904 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 97 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 99 ## JiggleSubtree 1105 ## OptSubtree 891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.535879 -0.801537 0.257322 0.0644807 1.59727 52.7218 -132.339 # jumping subtree containing (T0187)K72 jump= -0.446664 -0.190215 0.864603 0.129505 -59.714 34.7832 -174.359 # jumping subtree containing (T0187)M1 jump= 0.737057 -0.11647 -0.0429283 -0.664333 60.8967 25.8606 -17.5308 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.685218 0.716273 -0.0829073 -0.102738 -32.5627 80.0691 -115.099 # jumping subtree containing (T0187)L149 jump= -0.890364 -0.000343465 0.332346 -0.311123 -67.4943 -70.1151 -33.5316 # jumping subtree containing (T0187)Q142 jump= 0.89718 -0.307707 -0.315885 0.0245068 -62.7473 57.8057 -70.6832 # Removing break before 96 # jumping subtree containing (T0187)H90 jump= 0.998515 0.0346214 0.0388472 0.0161475 6.66359 -23.3595 8.96435 # Removing break before 118 # generation 87: best score out of 40: T0187.try1-al10 71.9966 cost/residue, 376 clashes 0.0781905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 98 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 100 ## JiggleSubtree 1115 ## OptSubtree 903 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.178914 0.760713 0.061926 0.620863 125.84 -123.916 -145.171 # jumping subtree containing (T0187)T97 jump= -0.0276406 0.780042 0.508888 -0.363048 -4.05398 -114.223 -236.255 # jumping subtree containing (T0187)K72 jump= -0.849571 -0.252235 -0.0940365 0.453612 26.4344 -46.8631 17.2617 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= 0.187038 -0.834847 -0.488139 0.17253 -4.42314 -36.7206 -190.199 # jumping subtree containing (T0187)L131 jump= -0.0561403 -0.875984 -0.454251 -0.152172 59.9631 -48.6879 -234.941 # Removing break before 96 # jumping subtree containing (T0187)P93 jump= 0.992013 -0.0611404 0.0274236 -0.106868 20.0912 31.05 -4.15971 # jumping subtree containing (T0187)K54 jump= 0.432149 0.21089 0.369061 0.795341 149.312 -58.1187 -12.2167 # jumping subtree containing (T0187)Q142 jump= -0.994727 -0.0136798 -0.076449 -0.0669757 32.039 -12.8612 -14.1004 # jumping subtree containing (T0187)H90 jump= 0.943768 0.0995035 -0.00684972 -0.315206 13.2957 15.321 9.47897 # Removing break before 118 # jumping subtree containing (T0187)R51 jump= 0.376395 0.610054 0.228169 0.658863 147.317 -115.293 -65.344 # generation 88: best score out of 40: T0187.try1-al10 71.9964 cost/residue, 376 clashes 0.0781906 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 100 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 102 ## JiggleSubtree 1120 ## OptSubtree 918 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.598296 -0.373402 0.543563 -0.455141 -22.8685 -98.1604 -111.898 # jumping subtree containing (T0187)Q142 jump= 0.471212 -0.0552747 0.307708 0.824754 70.7362 7.42225 14.8378 # jumping subtree containing (T0187)D38 jump= 0.837392 -0.521331 -0.019975 -0.163064 53.7276 90.8303 -129.816 # jumping subtree containing (T0187)H90 jump= 0.0588656 0.330929 0.600246 0.725759 94.4307 16.34 -78.6225 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= 0.0892517 0.241063 -0.564706 0.784238 97.7453 -138.259 -129.554 # Removing break before 118 # generation 89: best score out of 40: T0187.try1-al10 71.9964 cost/residue, 376 clashes 0.0781906 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 74 ## TwoFragment 18 ## CrossOver 100 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 104 ## JiggleSubtree 1124 ## OptSubtree 936 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.632777 0.219915 0.339464 -0.660299 152.137 -124.838 -18.425 # Removing break before 96 # jumping subtree containing (T0187)L42 jump= -0.422612 -0.74139 -0.420327 0.308325 24.0078 -187.972 -166.846 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= 0.936219 0.0892503 -0.298111 -0.163272 -24.2757 -0.889502 -22.7482 # jumping subtree containing (T0187)H90 jump= -0.723537 -0.0662999 0.394771 0.562365 9.96206 75.121 -48.8112 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= -0.999376 -0.0331638 -0.00382936 -0.0115507 -5.20255 6.87858 10.6177 # generation 90: best score out of 40: T0187.try1-al10 71.9915 cost/residue, 375 clashes 0.0804137 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 75 ## TwoFragment 18 ## CrossOver 100 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 106 ## JiggleSubtree 1133 ## OptSubtree 948 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= 0.448041 -0.0483826 -0.892643 -0.0103524 -14.9833 1.64695 -197.339 # jumping subtree containing (T0187)P93 jump= 0.506348 -0.163933 0.818535 -0.216189 162.095 -19.1304 -126 # jumping subtree containing (T0187)H90 jump= -0.996035 -0.0105151 -0.0713217 0.0521222 6.61299 4.67607 5.89632 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)L131 jump= 0.782022 -0.121581 -0.611181 -0.0108369 -92.138 15.5694 -122.096 # Removing break before 118 # jumping subtree containing (T0187)H90 jump= 0.604531 -0.729378 0.111513 -0.30019 82.2731 44.7118 -171.82 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)K72 jump= -0.610229 -0.1557 0.450805 0.632577 -27.1346 25.9874 -56.317 # generation 91: best score out of 40: T0187.try1-al10 71.9915 cost/residue, 375 clashes 0.0804137 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 75 ## TwoFragment 18 ## CrossOver 100 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 109 ## JiggleSubtree 1141 ## OptSubtree 961 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.323354 -0.620105 0.714766 -0.00455197 -16.1875 10.5287 -189.991 # jumping subtree containing (T0187)P93 jump= -0.431428 0.222732 0.203804 -0.850132 -10.3065 -139.107 -64.4932 # jumping subtree containing (T0187)Q142 jump= 0.933324 -0.0427433 -0.136665 -0.329246 7.79647 15.6676 -27.4879 # jumping subtree containing (T0187)K150 jump= 0.774301 0.173093 0.590521 -0.147587 106.087 -40.1358 -58.0974 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)H90 jump= -0.913834 0.402854 -0.0504342 -0.00852563 0.871181 62.3795 -50.8295 # jumping subtree containing (T0187)L131 jump= -0.904194 0.161599 -0.159226 0.361892 92.0668 25.7951 -19.3275 # jumping subtree containing (T0187)P93 jump= 0.271372 0.299977 -0.841602 0.357878 20.8337 -85.9379 -226.709 # jumping subtree containing (T0187)P93 jump= 0.166531 0.137344 0.967588 0.131061 92.2051 17.1627 -194.82 # jumping subtree containing (T0187)H90 jump= 0.99224 -0.0219044 -0.0556764 0.109 -30.6819 7.96791 -12.2831 # generation 92: best score out of 40: T0187.try1-al10 71.8715 cost/residue, 385 clashes 0.0846999 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 76 ## TwoFragment 18 ## CrossOver 100 ## CrossAndInsert 44 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 110 ## JiggleSubtree 1158 ## OptSubtree 975 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= 0.0762787 -0.693775 0.52059 -0.491776 129.415 -32.652 -201.261 # jumping subtree containing (T0187)K72 jump= 0.40004 -0.154425 -0.898536 -0.093565 -28.722 15.6729 -211.007 # Removing break before 96 # jumping subtree containing (T0187)I19 jump= -0.0545553 0.686347 0.204871 0.695686 96.8237 14.6148 -120.617 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)H90 jump= 0.0474834 -0.216502 -0.598942 0.769507 18.4739 -143.713 -134.489 # jumping subtree containing (T0187)H90 jump= 0.520296 -0.307152 -0.796711 -0.0141874 -11.1746 21.8198 -185.821 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= -0.998161 0.0166365 -0.05109 0.0280814 32.1992 16.2041 -2.54001 # generation 93: best score out of 40: T0187.try1-al10 71.7932 cost/residue, 384 clashes 0.0739781 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 76 ## TwoFragment 18 ## CrossOver 100 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 112 ## JiggleSubtree 1170 ## OptSubtree 988 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.260148 -0.777077 -0.436452 0.371462 -17.5904 -110.392 -114.969 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.558574 -0.514463 0.526407 0.382387 -72.3376 -41.458 -54.3022 # jumping subtree containing (T0187)T97 jump= 0.226324 0.476401 0.77261 0.353403 131.386 -33.3633 -142.74 # jumping subtree containing (T0187)H90 jump= 0.034616 0.474922 0.225862 -0.849846 -21.0054 -94.4138 -59.1585 # jumping subtree containing (T0187)H90 jump= 0.890196 0.316613 0.168967 0.280636 63.7158 -84.0235 16.4846 # jumping subtree containing (T0187)K47 jump= -0.476257 0.0892491 -0.724067 0.490857 147.29 -68.8553 -95.3201 # Removing break before 118 # jumping subtree containing (T0187)L138 jump= 0.823655 0.443107 0.33178 0.123167 72.6303 -91.1663 -16.11 # jumping subtree containing (T0187)K72 jump= 0.940684 0.316222 -0.0424582 -0.115394 -13.7257 -82.0503 -6.47082 # jumping subtree containing (T0187)D81 jump= -0.167485 0.613996 0.147734 0.757055 148.021 -33.6618 -93.5929 # Removing break before 96 # jumping subtree containing (T0187)L42 jump= 0.0898318 0.455305 0.840619 0.279263 95.1414 1.20929 -173.641 # generation 94: best score out of 40: T0187.try1-al10 71.793 cost/residue, 384 clashes 0.073978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 76 ## TwoFragment 18 ## CrossOver 100 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 114 ## JiggleSubtree 1186 ## OptSubtree 1005 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F119 jump= -0.430225 -0.880128 -0.170794 -0.10541 20.5262 -134.022 -141.468 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.730145 -0.4643 -0.463224 -0.191668 -12.0184 88.6185 -95.9382 # jumping subtree containing (T0187)L131 jump= 0.642272 -0.225014 -0.203183 -0.703969 46.9025 105.471 -66.2804 # jumping subtree containing (T0187)L131 jump= -0.712903 0.140973 -0.462832 0.507624 122.216 -29.5691 -81.6616 # jumping subtree containing (T0187)S6 jump= -0.400291 -0.464396 -0.701461 -0.363396 180.662 -23.5856 -189.12 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)K47 jump= 0.852074 0.35453 0.0681255 -0.378996 0.816869 -21.8823 -2.70859 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.35868 0.524465 -0.177617 -0.75149 -20.5644 8.71049 -25.7213 # Removing break before 41 # jumping subtree containing (T0187)Q142 jump= 0.423627 -0.296625 -0.805237 -0.290083 28.7646 34.6702 -150.197 # Removing break before 118 # jumping subtree containing (T0187)P24 jump= 0.263406 0.751859 -0.0529411 -0.602099 -66.3788 -5.47941 -105.972 # jumping subtree containing (T0187)F119 jump= -0.863191 -0.356928 -0.305461 -0.184923 81.2555 -60.3085 -5.58699 # Removing break before 96 # generation 95: best score out of 40: T0187.try1-al10 71.793 cost/residue, 384 clashes 0.073978 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 76 ## TwoFragment 18 ## CrossOver 101 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 116 ## JiggleSubtree 1199 ## OptSubtree 1022 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L42 jump= -0.416919 0.266061 -0.208779 0.843683 87.4797 -35.0051 -32.9053 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.0936749 -0.164447 0.160752 0.96868 55.3047 27.0344 27.3496 # jumping subtree containing (T0187)P93 jump= 0.443755 0.711305 -0.416955 0.351106 33.1925 -96.5285 -155.968 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.956247 0.0905114 0.169448 -0.22065 -12.5765 10.681 -21.7031 # Removing break before 118 # Removing break before 96 # generation 96: best score out of 40: T0187.try1-al10 71.793 cost/residue, 384 clashes 0.0739784 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 76 ## TwoFragment 18 ## CrossOver 102 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 119 ## JiggleSubtree 1209 ## OptSubtree 1032 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)I85 jump= -0.986034 -0.0556561 -0.117274 -0.104339 9.76384 -21.2063 8.98233 # jumping subtree containing (T0187)L131 jump= -0.191892 -0.254195 0.786476 0.529168 80.2976 82.9228 -87.4414 # jumping subtree containing (T0187)K54 jump= -0.844116 0.268447 0.40128 0.233192 -18.2251 73.3478 -50.9419 # jumping subtree containing (T0187)I98 jump= -0.497679 0.111851 0.370725 0.776123 13.8807 54.9127 -31.4458 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= 0.829359 -0.39671 0.192853 0.342918 -17.7729 46.0191 -32.2139 # Removing break before 118 # Removing break before 96 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= -0.433108 0.33195 -0.365685 -0.75399 -5.23469 31.8567 -11.4265 # jumping subtree containing (T0187)L131 jump= -0.676992 0.651649 0.326655 -0.101643 -62.8621 49.5532 -149.063 # jumping subtree containing (T0187)L149 jump= -0.31976 -0.209234 -0.167348 0.908829 -30.3353 -87.577 -18.4864 # jumping subtree containing (T0187)L42 jump= 0.988122 0.122676 -0.0856717 -0.0350238 -8.35184 -34.809 -23.379 # generation 97: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 384 clashes 0.0739781 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 76 ## TwoFragment 18 ## CrossOver 102 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 119 ## JiggleSubtree 1221 ## OptSubtree 1044 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.998149 -0.0261937 -0.0548812 0.000561577 -9.12587 6.87078 -9.76084 # Removing break before 141 # Removing break before 41 # jumping subtree containing (T0187)T97 jump= -0.232121 -0.0856807 -0.540497 0.804141 98.7954 -109.175 -56.8401 # Removing break before 118 # Removing break before 41 # jumping subtree containing (T0187)M1 jump= 0.922663 0.0176234 0.22972 -0.309211 65.4137 10.6816 -12.0371 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.31965 -0.195171 -0.651021 0.66023 -68.9882 -142.682 -122.75 # generation 98: best score out of 40: T0187.try1-al10 71.5631 cost/residue, 381 clashes 0.0794413 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 77 ## TwoFragment 18 ## CrossOver 103 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 121 ## JiggleSubtree 1225 ## OptSubtree 1060 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.869921 0.410134 0.0109984 -0.273691 -43.2016 109.719 -47.505 # jumping subtree containing (T0187)L131 jump= -0.616363 -0.421686 -0.417426 0.517718 48.7136 -37.6815 6.00593 # Removing break before 118 # Removing break before 41 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.939111 -0.114486 -0.208317 -0.248129 49.4174 21.8786 -19.5607 # jumping subtree containing (T0187)K47 jump= -0.210546 -0.350924 0.697343 -0.588418 95.3643 -99.9033 -205.472 # jumping subtree containing (T0187)Q142 jump= 0.944027 0.171765 0.0618059 -0.274754 -17.9474 -55.5755 -0.12995 # Removing break before 118 # jumping subtree containing (T0187)L148 jump= 0.461857 0.854863 0.210852 0.106952 36.4618 -122.524 -204.619 # Removing break before 118 # jumping subtree containing (T0187)G61 jump= 0.821628 0.45629 -0.331188 -0.0839086 -68.4121 -86.6869 -66.4287 # jumping subtree containing (T0187)P93 jump= -0.999665 -0.019917 0.0140864 0.00859702 -13.7421 -24.1954 -2.56068 # generation 99: best score out of 40: T0187.try1-al10 71.5629 cost/residue, 381 clashes 0.0794414 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 77 ## TwoFragment 18 ## CrossOver 103 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 122 ## JiggleSubtree 1235 ## OptSubtree 1078 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= 0.883044 0.118862 0.453865 0.0105724 75.3944 -31.0458 -63.6541 # Removing break before 118 # jumping subtree containing (T0187)H90 jump= 0.998912 0.0120743 0.0176573 0.0414481 -8.18504 21.7334 13.965 # jumping subtree containing (T0187)Q142 jump= -0.849652 0.310436 -0.393244 0.164562 96.2033 33.5835 -51.3459 # Removing break before 41 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.189316 -0.311206 0.00256353 0.931291 -81.46 39.497 -12.4605 # Removing break before 41 # generation 100: best score out of 40: T0187.try1-al10 71.5629 cost/residue, 381 clashes 0.0794414 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 77 ## TwoFragment 18 ## CrossOver 103 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 122 ## JiggleSubtree 1244 ## OptSubtree 1098 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.9178 -0.26543 -0.24397 0.166339 -42.9252 28.4461 -23.8645 # jumping subtree containing (T0187)L42 jump= -0.0156947 0.218288 0.800524 -0.557912 -7.19178 -110.371 -171.052 # jumping subtree containing (T0187)L148 jump= -0.303712 -0.465536 0.310846 -0.77098 44.7753 -109.519 -63.509 # Removing break before 96 # jumping subtree containing (T0187)P93 jump= 0.988854 -0.0222681 0.00863183 -0.146964 11.5774 7.8745 8.80841 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= 0.912687 0.259114 -0.0516449 -0.311763 -43.4183 -72.129 -26.2128 # Removing break before 96 # jumping subtree containing (T0187)V22 jump= -0.876615 -0.123306 -0.309031 0.347623 72.8849 -63.4363 -12.1588 # jumping subtree containing (T0187)H90 jump= 0.60867 -0.714144 0.0340281 -0.344037 72.4985 88.5788 -103.158 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)K72 jump= -0.624982 -0.0182048 -0.449301 0.638118 59.064 -68.039 -46.9841 # jumping subtree containing (T0187)Q142 jump= 0.788092 0.462754 -0.17571 0.365917 -7.40522 -126.571 -66.7792 # generation 101: best score out of 40: T0187.try1-al10 71.5629 cost/residue, 381 clashes 0.0794414 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 77 ## TwoFragment 18 ## CrossOver 103 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 122 ## JiggleSubtree 1253 ## OptSubtree 1113 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V108 jump= 0.748289 0.434631 0.35426 -0.354485 45.914 -92.1103 -60.4416 # Removing break before 96 # Removing break before 96 # Removing break before 118 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= -0.816596 0.260902 -0.162723 -0.488489 -15.2527 98.3381 -32.6104 # jumping subtree containing (T0187)L10 jump= -0.995868 -0.0144007 -0.0873535 0.0202433 10.4682 -8.20502 -11.8948 # jumping subtree containing (T0187)V22 jump= 0.389017 -0.855999 0.339272 0.0287501 1.38694 38.7877 -239.649 # jumping subtree containing (T0187)V69 jump= -0.711495 0.605692 -0.0528803 -0.352302 -70.3093 121.315 -110.606 # jumping subtree containing (T0187)T97 jump= -0.626373 -0.647164 0.402245 0.164422 -100.179 -49.074 -156.091 # jumping subtree containing (T0187)K54 jump= -0.792867 -0.0573485 0.597346 0.106065 -90.665 -4.22365 -67.0939 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.12755 0.718953 0.164996 -0.663034 -118.197 -21.5157 -139.833 # generation 102: best score out of 40: T0187.try1-al10 71.3556 cost/residue, 376 clashes 0.0879495 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 103 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 122 ## JiggleSubtree 1257 ## OptSubtree 1132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= 0.862349 0.278007 -0.0879013 -0.413932 -56.1153 -46.046 4.23503 # jumping subtree containing (T0187)K72 jump= -0.581967 0.589426 -0.435965 -0.35189 22.5118 122.355 -110.672 # jumping subtree containing (T0187)L42 jump= -0.860462 0.402825 0.0290568 -0.310633 -73.2786 116.965 -72.5126 # jumping subtree containing (T0187)Q142 jump= 0.502792 0.175602 -0.145129 -0.833847 -40.9742 18.0283 -11.9062 # Removing break before 96 # Removing break before 96 # Removing break before 141 # jumping subtree containing (T0187)Q142 jump= -0.121343 0.868553 0.468738 0.105719 12.797 52.7388 -299.995 # jumping subtree containing (T0187)T97 jump= -0.914561 -0.176691 0.00354138 0.363795 -35.9431 -23.9422 -26.0869 # jumping subtree containing (T0187)Q142 jump= 0.739347 0.00868997 -0.504279 -0.446086 -120.517 83.8881 -75.9872 # jumping subtree containing (T0187)M1 jump= 0.873562 0.38939 0.232482 -0.176682 63.0278 -97.3707 -49.1209 # Removing break before 118 # generation 103: best score out of 40: T0187.try1-al10 71.3556 cost/residue, 376 clashes 0.0879495 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 103 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1265 ## OptSubtree 1147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)K47 jump= -0.0687869 -0.20198 -0.974185 0.0737247 17.3096 -5.13177 -261.887 # jumping subtree containing (T0187)Q142 jump= -0.354541 0.931762 -0.0550246 -0.0556052 -24.7128 67.9501 -187.749 # jumping subtree containing (T0187)V69 jump= 0.337743 -0.127188 -0.738592 -0.569417 13.718 132.636 -138.848 # jumping subtree containing (T0187)L138 jump= -0.16271 0.166565 0.0614464 -0.97057 -13.7413 -38.8916 10.4617 # jumping subtree containing (T0187)L42 jump= -0.932821 -0.104518 0.32414 0.1177 -68.7557 -41.2345 -13.7913 # Removing break before 118 # jumping subtree containing (T0187)V69 jump= 0.197918 0.687551 -0.298727 0.631556 101.421 -50.1308 -123.664 # generation 104: best score out of 40: T0187.try1-al10 71.3552 cost/residue, 376 clashes 0.0879494 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 103 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1294 ## OptSubtree 1155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)D38 jump= 0.674856 -0.72598 -0.0301932 -0.128882 34.3517 148.53 -127.007 # jumping subtree containing (T0187)Q142 jump= -0.428294 -0.88638 -0.169998 0.0446609 10.5512 -104.686 -236.176 # jumping subtree containing (T0187)K47 jump= -0.935259 -0.218275 0.273432 0.0536864 -58.2416 -41.0249 -50.3587 # jumping subtree containing (T0187)Q142 jump= 0.906777 -0.124572 0.140666 0.377425 34.0329 36.0868 5.34857 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= 0.805746 0.500999 -0.255733 -0.185399 -59.3202 -74.5208 -78.9501 # jumping subtree containing (T0187)Q142 jump= 0.631516 0.470254 -0.194032 0.58515 23.8686 -136.813 -70.5761 # jumping subtree containing (T0187)L138 jump= -0.110639 0.41829 -0.481492 -0.762206 -67.534 89.422 -108.891 # generation 105: best score out of 40: T0187.try1-al10 71.3552 cost/residue, 376 clashes 0.0879494 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 105 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1307 ## OptSubtree 1164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.990666 -0.100535 -0.0425644 -0.0816149 -15.3879 5.5316 4.38004 # jumping subtree containing (T0187)L138 jump= -0.550597 0.0778344 -0.0552882 0.829294 42.8532 20.4795 -23.386 # Removing break before 118 # jumping subtree containing (T0187)H90 jump= 0.2217 -0.270603 -0.22169 0.910207 -87.2204 -41.8052 -17.4067 # jumping subtree containing (T0187)K72 jump= 0.0373894 0.264402 0.290407 0.918889 79.7816 68.514 -36.3986 # Removing break before 96 # jumping subtree containing (T0187)L133 jump= -0.832984 0.231455 -0.00393547 -0.502544 -42.0894 30.7306 -6.90626 # Removing break before 96 # jumping subtree containing (T0187)L138 jump= -0.998077 -0.0274572 0.0473588 -0.0290803 -0.653658 -16.5859 -1.6765 # generation 106: best score out of 40: T0187.try1-al10 71.3551 cost/residue, 376 clashes 0.0879491 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 107 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1317 ## OptSubtree 1176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 31 # jumping subtree containing (T0187)Q142 jump= -0.807835 -0.209493 0.100798 0.541622 -17.7613 -63.9522 -3.82365 # jumping subtree containing (T0187)Q142 jump= -0.131373 -0.365863 -0.702778 0.595809 -44.2053 -143.348 -203.746 # jumping subtree containing (T0187)P93 jump= 0.867808 0.306495 -0.285232 -0.267606 -58.1269 -50.0216 -44.9824 # jumping subtree containing (T0187)Q142 jump= -0.651937 -0.16228 0.736745 0.0764919 -172.223 -17.7339 -163.542 # Removing break before 41 # jumping subtree containing (T0187)Q142 jump= 0.649815 0.681469 -0.326934 0.080343 -61.0948 -141.784 -129.453 # jumping subtree containing (T0187)L131 jump= 0.759809 0.627856 -0.168775 0.00138071 -74.9229 -180.219 -91.6145 # Removing break before 118 # jumping subtree containing (T0187)L32 jump= -0.87344 -0.0823531 -0.392728 -0.275834 123.01 22.4475 -64.8278 # jumping subtree containing (T0187)K72 jump= -0.11272 -0.801408 0.397528 0.432448 -100.226 -36.8252 -204.498 # jumping subtree containing (T0187)T97 jump= 0.885704 0.0294633 -0.0267447 0.462541 14.6589 2.92291 11.421 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.980987 0.108836 0.00645603 0.160556 -3.64133 -38.5495 18.5014 # generation 107: best score out of 40: T0187.try1-al10 71.3551 cost/residue, 376 clashes 0.0879491 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 107 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1328 ## OptSubtree 1189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= 0.912574 0.248013 0.140717 0.293081 41.4497 -50.8573 6.13196 # jumping subtree containing (T0187)T97 jump= -0.53727 -0.211718 -0.815599 -0.0362605 151.514 -42.8612 -271.838 # jumping subtree containing (T0187)Q142 jump= 0.995233 -0.0205522 -0.0613002 0.0730204 -42.6754 9.13288 16.171 # Removing break before 118 # jumping subtree containing (T0187)M1 jump= -0.879019 -0.469095 -0.0144171 -0.0840668 19.5325 -143.055 -56.8901 # Removing break before 118 # jumping subtree containing (T0187)L131 jump= 0.717661 0.656776 -0.192947 0.127983 -14.9714 -159.887 -120.899 # Removing break before 118 # generation 108: best score out of 40: T0187.try1-al10 71.355 cost/residue, 376 clashes 0.0879493 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 107 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1338 ## OptSubtree 1203 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.701506 0.47843 -0.518386 -0.101342 98.8281 101.64 -193.956 # jumping subtree containing (T0187)K47 jump= -0.700701 -0.154876 0.238182 0.654447 -55.483 0.712706 -1.40549 # jumping subtree containing (T0187)V69 jump= 0.824567 -0.334401 -0.0284482 -0.455474 79.2561 87.4604 -62.4543 # jumping subtree containing (T0187)L131 jump= 0.605967 0.262206 -0.512329 0.549155 -64.8624 -136.612 -106.668 # jumping subtree containing (T0187)Q142 jump= 0.9121 -0.286301 0.0466554 0.289704 27.1963 78.8718 -1.59329 # jumping subtree containing (T0187)Q142 jump= 0.923858 0.00328924 -0.0550882 -0.378735 -7.33699 -20.6594 -12.7865 # jumping subtree containing (T0187)Q142 jump= 0.23037 0.128713 -0.962511 0.0627336 -75.6846 -45.5067 -289.363 # jumping subtree containing (T0187)F119 jump= 0.891443 -0.399335 0.061434 0.20515 -34.9024 104.608 -73.9168 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.999801 0.00823258 0.0153411 0.00977087 -1.6669 2.37065 -5.7461 # generation 109: best score out of 40: T0187.try1-al10 71.355 cost/residue, 376 clashes 0.0879493 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 107 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1352 ## OptSubtree 1213 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)L138 jump= -0.793431 -0.0167672 -0.590706 -0.145783 150.012 9.17754 -86.7552 # jumping subtree containing (T0187)Q142 jump= -0.191742 -0.413916 -0.79988 -0.390001 140.526 64.6383 -238.762 # jumping subtree containing (T0187)L138 jump= 0.966401 -0.137251 0.0858352 0.199658 -3.59379 35.8779 -1.8055 # Removing break before 41 # generation 110: best score out of 40: T0187.try1-al10 71.355 cost/residue, 376 clashes 0.0879493 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 108 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1361 ## OptSubtree 1227 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 31 # Removing break before 41 # Removing break before 118 # jumping subtree containing (T0187)P93 jump= -0.755719 0.405622 0.501112 0.11509 -87.0412 126.577 -147.742 # jumping subtree containing (T0187)Q142 jump= 0.174256 -0.290438 0.315116 0.886557 -75.3533 51.586 -14.3841 # jumping subtree containing (T0187)Q142 jump= 0.0488946 -0.682 -0.290041 0.669598 -160.195 -68.8795 -191.457 # jumping subtree containing (T0187)Q142 jump= 0.270822 -0.2649 -0.866534 -0.324965 -31.0707 122.387 -283.22 # jumping subtree containing (T0187)L138 jump= -0.936781 -0.335262 0.10018 -0.00235972 -26.9688 -114.997 -16.9163 # Removing break before 96 # jumping subtree containing (T0187)L42 jump= 0.202026 -0.071068 -0.757103 -0.617195 -34.7515 131.341 -179.698 # jumping subtree containing (T0187)Q142 jump= 0.854817 0.405116 -0.145833 0.289657 -22.3512 -106.563 -34.7321 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)L138 jump= 0.398658 0.594865 0.263097 0.64652 140.324 -53.6582 -135.626 # Removing break before 118 # generation 111: best score out of 40: T0187.try1-al10 71.355 cost/residue, 376 clashes 0.0879493 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 108 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1370 ## OptSubtree 1242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.99647 0.0369739 -0.000429998 0.0753615 6.31003 6.87556 6.67187 # Removing break before 118 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)L131 jump= 0.914962 -0.179171 -0.344158 0.110893 -106.025 49.2974 -86.9203 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= 0.999825 0.0076119 0.0167249 -0.0034778 -3.20393 -23.4687 -4.15491 # jumping subtree containing (T0187)K72 jump= 0.656921 -0.399882 0.395809 0.50188 -11.1875 144.442 -98.8535 # Removing break before 118 # jumping subtree containing (T0187)Q110 jump= 0.979328 -0.0349828 -0.174249 -0.0965909 -57.351 -11.858 0.98928 # jumping subtree containing (T0187)V69 jump= -0.0415425 -0.34407 0.619314 0.704514 -143.277 81.6167 -158.496 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.388377 0.316853 0.600074 0.623441 -8.26858 111.6 -107.089 # generation 112: best score out of 40: T0187.try1-al10 71.355 cost/residue, 376 clashes 0.0879493 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 108 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1379 ## OptSubtree 1257 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= -0.954619 -0.0919411 -0.158438 0.234831 42.8322 -66.0271 -4.07123 # Removing break before 41 # jumping subtree containing (T0187)Q142 jump= -0.0215505 0.923545 -0.355972 0.14101 39.6087 -49.7017 -302.616 # Removing break before 118 # jumping subtree containing (T0187)K54 jump= 0.588312 -0.511086 0.590123 0.210796 56.647 122.845 -213.892 # jumping subtree containing (T0187)Q142 jump= -0.969182 0.0335298 -0.243649 -0.0140407 72.9059 7.38549 -11.4789 # jumping subtree containing (T0187)Q142 jump= 0.998394 0.0091762 -0.00684599 -0.0554779 18.8857 -18.7711 -6.03304 # jumping subtree containing (T0187)H90 jump= 0.958191 -0.174197 0.0937934 -0.20671 62.511 39.2278 -25.4294 # jumping subtree containing (T0187)K54 jump= -0.972471 0.230999 -0.0151343 0.0266356 14.9484 70.4579 -10.2957 # generation 113: best score out of 40: T0187.try1-al10 71.3547 cost/residue, 376 clashes 0.0879492 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 108 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1393 ## OptSubtree 1267 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.583851 0.754045 -0.012724 -0.30062 -75.5617 -185.739 -163.192 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.647268 0.548669 -0.0686337 -0.524687 -108.048 105.358 -111.236 # jumping subtree containing (T0187)Q142 jump= 0.505083 0.602974 0.307872 0.535283 139.488 -87.9926 -120.374 # jumping subtree containing (T0187)K47 jump= 0.323412 -0.588834 0.554659 -0.49095 152.924 -82.6266 -275.807 # jumping subtree containing (T0187)L138 jump= -0.961972 0.015562 0.107896 -0.250452 -48.0487 -29.5979 -3.17326 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.19928 0.889641 -0.167066 -0.375386 -120.032 90.8357 -301.415 # generation 114: best score out of 40: T0187.try1-al10 71.3547 cost/residue, 376 clashes 0.0879488 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 109 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1402 ## OptSubtree 1281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.633442 -0.301704 -0.605358 -0.375855 -61.0285 108.467 -133.077 # jumping subtree containing (T0187)K47 jump= 0.98402 0.110769 -0.104299 -0.0924998 -50.0022 -33.1925 16.6985 # Removing break before 96 # jumping subtree containing (T0187)K17 jump= -0.910995 -0.291039 0.292132 -0.00658175 -112.572 -91.2348 -18.6168 # jumping subtree containing (T0187)Q142 jump= -0.235814 -0.12194 0.773757 0.575171 -71.2345 147.183 -203.202 # jumping subtree containing (T0187)T97 jump= -0.677249 0.68795 0.169122 0.198636 9.2422 157.918 -138.676 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)V45 jump= 0.84582 -0.218512 -0.456189 0.169508 -166.725 70.7393 -103.239 # jumping subtree containing (T0187)L138 jump= 0.630423 -0.185633 -0.351385 -0.666811 -0.577792 144.751 -42.8655 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)V69 jump= -0.95732 -0.249433 0.0808631 -0.121581 4.58332 -86.8532 -22.5697 # jumping subtree containing (T0187)L138 jump= 0.730792 0.452217 -0.486156 -0.158415 -175.58 -98.7708 -171.666 # Removing break before 118 # Removing break before 41 # generation 115: best score out of 40: T0187.try1-al10 71.3545 cost/residue, 376 clashes 0.0879493 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 78 ## TwoFragment 18 ## CrossOver 109 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1411 ## OptSubtree 1296 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.129362 0.213484 0.712536 -0.65573 -37.0557 -178.704 -167.069 # jumping subtree containing (T0187)K72 jump= -0.931608 -0.173208 -0.24592 -0.204033 65.6711 -3.45942 -17.5396 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= -0.808358 0.432904 0.1147 0.382093 54.2334 150.984 -73.957 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.989382 0.110666 -0.0304319 -0.0891666 -1.61575 47.2181 -8.13715 # jumping subtree containing (T0187)L148 jump= 0.531814 -0.297681 -0.782893 0.125055 -180.481 46.9434 -214.142 # jumping subtree containing (T0187)M1 jump= -0.985951 -0.0653319 0.1008 -0.116063 -44.5102 -18.5517 -23.5789 # jumping subtree containing (T0187)Y73 jump= 0.979253 0.158208 -0.100389 -0.0771698 -47.569 -63.1767 -19.6157 # Removing break before 118 # generation 116: best score out of 40: T0187.try1-al10 71.3475 cost/residue, 377 clashes 0.104841 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 79 ## TwoFragment 18 ## CrossOver 110 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1420 ## OptSubtree 1309 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.623823 -0.638146 0.0170523 0.450914 -112.721 -142.576 -140.335 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.853393 0.443975 -0.269337 0.045434 94.1965 151.284 -123.285 # jumping subtree containing (T0187)M1 jump= 0.501929 -0.547146 0.0665846 0.666532 -132.181 93.3814 -140.044 # jumping subtree containing (T0187)L138 jump= -0.00490065 0.277866 -0.653424 0.704133 98.8219 -205.797 -213.02 # jumping subtree containing (T0187)Q142 jump= -0.50856 -0.255535 -0.431008 -0.700215 108.906 45.9021 -100.321 # jumping subtree containing (T0187)L148 jump= -0.924255 -0.359785 -0.127689 -0.00173541 27.8851 -95.2108 -46.8676 # Removing break before 53 # jumping subtree containing (T0187)L42 jump= 0.5572 -0.0117901 0.83016 0.0149714 166.779 -4.33135 -257.055 # jumping subtree containing (T0187)L138 jump= 0.50088 -0.297919 -0.342407 0.736967 -136.613 -56.1445 -65.8041 # jumping subtree containing (T0187)Q142 jump= -0.905659 0.380377 0.160955 -0.0958617 -78.3474 112.671 -47.828 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.365301 0.474853 0.160858 -0.784343 -171.228 12.3141 -123.254 # jumping subtree containing (T0187)L138 jump= 0.944453 0.178246 -0.238934 -0.138377 -109.102 -68.3432 -29.3386 # jumping subtree containing (T0187)K54 jump= -0.036475 -0.476195 0.148308 0.865975 -231.945 -18.4711 -144.5 # generation 117: best score out of 40: T0187.try1-al10 71.3475 cost/residue, 377 clashes 0.104841 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 79 ## TwoFragment 18 ## CrossOver 110 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1432 ## OptSubtree 1321 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.782334 0.267282 0.421387 0.372755 189.022 13.8721 -109.192 # jumping subtree containing (T0187)E58 jump= -0.539037 -0.556892 0.442974 -0.450648 -3.08512 -180.673 -205.022 # Removing break before 53 # jumping subtree containing (T0187)Q142 jump= 0.517243 -0.578584 0.593745 0.212525 53.2254 123.523 -217.762 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.389858 -0.501479 -0.507407 0.582295 -178.785 -10.7644 -161.162 # jumping subtree containing (T0187)Q142 jump= 0.352641 -0.561883 -0.146981 0.733709 -198.561 47.4393 -125.122 # Removing break before 96 # generation 118: best score out of 40: T0187.try1-al10 71.3474 cost/residue, 377 clashes 0.104841 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 79 ## TwoFragment 18 ## CrossOver 110 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1449 ## OptSubtree 1338 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P93 jump= 0.651588 0.131575 0.722758 0.189054 115.041 10.7759 -223.437 # jumping subtree containing (T0187)Q142 jump= -0.14998 -0.242784 -0.727567 -0.623866 52.6011 151.506 -165.431 # jumping subtree containing (T0187)Q142 jump= -0.77573 -0.237105 0.15114 -0.56496 -37.4326 -22.0675 -4.37351 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= -0.297612 0.429114 -0.547168 -0.654137 -53.444 128.866 -134.556 # jumping subtree containing (T0187)Q142 jump= -0.792307 0.396255 -0.203392 -0.416969 -27.1531 135.887 -64.05 # jumping subtree containing (T0187)Q142 jump= -0.794906 -0.0193434 -0.186227 0.577122 52.4726 -53.6031 -19.2545 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= -0.672911 -0.149812 0.461675 -0.558215 -72.1714 -101.941 -83.3286 # jumping subtree containing (T0187)T97 jump= 0.576048 -0.686883 0.315699 -0.310957 90.0368 67.8967 -184.696 # Removing break before 96 # Removing break before 53 # Removing break before 31 # Removing break before 118 # generation 119: best score out of 40: T0187.try1-al10 71.3474 cost/residue, 377 clashes 0.104841 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 79 ## TwoFragment 18 ## CrossOver 111 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1461 ## OptSubtree 1349 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K72 jump= 0.0423293 -0.624989 -0.716508 0.306941 -125.108 -33.07 -298.734 # jumping subtree containing (T0187)Q142 jump= 0.708181 0.470722 -0.494093 0.18103 -87.7864 -159.882 -109.436 # Removing break before 96 # jumping subtree containing (T0187)K54 jump= -0.9292 -0.274476 -0.0766935 -0.235304 26.642 -55.2441 -24.2959 # jumping subtree containing (T0187)M1 jump= 0.989422 0.0775958 -0.0843147 -0.0889633 -46.3707 -38.3145 -7.09128 # jumping subtree containing (T0187)Q142 jump= 0.993895 0.0389456 -0.0785862 0.0669278 -47.2687 -20.7489 17.3548 # jumping subtree containing (T0187)L138 jump= -0.0990149 -0.704311 0.56922 -0.412469 56.4139 -155.167 -288.91 # jumping subtree containing (T0187)Q142 jump= 0.941192 -0.172019 -0.290759 0.0051154 -70.747 51.1005 -18.1704 # jumping subtree containing (T0187)M1 jump= -0.267762 0.597263 0.748115 0.109107 -41.0755 61.4749 -301.841 # generation 120: best score out of 40: T0187.try1-al10 71.3472 cost/residue, 377 clashes 0.104841 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 79 ## TwoFragment 18 ## CrossOver 112 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1468 ## OptSubtree 1365 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.999669 -0.00301122 -0.0107642 -0.023165 23.31 9.68347 7.74238 # Removing break before 118 # Removing break before 31 # jumping subtree containing (T0187)S18 jump= -0.55312 -0.602743 -0.51695 -0.252037 119.181 -34.56 -255.447 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= -0.592051 -0.126046 0.794128 0.0543068 -145.969 -1.05303 -194.481 # jumping subtree containing (T0187)L32 jump= -0.58843 -0.332799 0.736217 -0.0312922 -199.482 -101.037 -186.826 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.852069 0.42215 0.148089 0.271732 71.1529 -82.7286 -34.3111 # Removing break before 96 # jumping subtree containing (T0187)K72 jump= -0.998475 0.053937 0.0015523 -0.0116308 5.36782 31.4882 -14.7297 # Removing break before 118 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.971244 0.0113597 0.237666 -0.00842212 65.909 9.32524 -55.7377 # generation 121: best score out of 40: T0187.try1-al10 71.3472 cost/residue, 377 clashes 0.104841 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 79 ## TwoFragment 18 ## CrossOver 112 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1474 ## OptSubtree 1383 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L42 jump= 0.985466 0.11862 0.0268256 -0.118599 -1.92981 -59.268 -4.14328 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.834519 0.184662 -0.375868 0.358051 -107.767 -88.134 -22.1246 # jumping subtree containing (T0187)L138 jump= 0.831169 -0.507918 0.1525 -0.167095 58.9936 112.057 -100.503 # jumping subtree containing (T0187)Q142 jump= -0.977874 0.171191 0.0438032 0.111971 7.80486 58.554 -32.1991 # Removing break before 96 # Removing break before 96 # Removing break before 53 # Removing break before 53 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)K72 jump= -0.781111 0.217409 -0.393307 0.433485 132.906 -31.1949 -82.2708 # Removing break before 118 # Removing break before 41 # generation 122: best score out of 40: T0187.try1-al10 71.3472 cost/residue, 377 clashes 0.104841 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 79 ## TwoFragment 18 ## CrossOver 113 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1487 ## OptSubtree 1393 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)Q142 jump= 0.0128744 0.356035 -0.732336 -0.580308 -92.9827 129.4 -188.885 # Removing break before 96 # jumping subtree containing (T0187)S18 jump= 0.115968 -0.10244 0.927925 0.339136 -32.7642 102.584 -295.163 # jumping subtree containing (T0187)T97 jump= -0.409199 -0.593681 0.455687 -0.521966 21.6503 -156.311 -133.106 # jumping subtree containing (T0187)L138 jump= -0.710347 -0.000582085 -0.312433 0.630708 70.4632 -58.6956 -15.4439 # jumping subtree containing (T0187)M1 jump= -0.994322 -0.00725389 0.101695 0.0304894 -34.3109 -18.5563 29.9185 # Removing break before 53 # generation 123: best score out of 40: T0187.try1-al10 71.1634 cost/residue, 377 clashes 0.121111 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 114 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1498 ## OptSubtree 1404 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)Q142 jump= 0.995672 0.0828366 -0.0399528 -0.0134114 -0.85745 -51.467 7.10393 # Removing break before 118 # Removing break before 96 # Removing break before 96 # Removing break before 118 # Removing break before 96 # generation 124: best score out of 40: T0187.try1-al10 71.1634 cost/residue, 377 clashes 0.121111 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1510 ## OptSubtree 1417 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 118 # Removing break before 31 # jumping subtree containing (T0187)L42 jump= -0.963283 -0.0879265 0.242102 0.0757726 -88.988 -53.4474 2.08735 # jumping subtree containing (T0187)L138 jump= 0.227362 -0.616729 -0.642521 0.393852 -169.551 -4.29641 -300.805 # jumping subtree containing (T0187)L138 jump= -0.699711 0.365854 -0.576291 0.210819 101.324 5.72213 -210.522 # jumping subtree containing (T0187)L32 jump= -0.997057 0.0555557 -0.0517953 0.0104408 14.7355 44.7318 -16.6744 # Removing break before 53 # jumping subtree containing (T0187)L42 jump= -0.576587 0.788897 0.204659 0.0574795 -47.3959 137.729 -220.704 # generation 125: best score out of 40: T0187.try1-al10 71.1633 cost/residue, 377 clashes 0.121111 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 123 ## JiggleSubtree 1527 ## OptSubtree 1432 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 53 # Removing break before 41 # Removing break before 31 # Removing break before 118 # Removing break before 118 # Removing break before 31 # jumping subtree containing (T0187)K47 jump= 0.586248 0.0255813 0.633266 -0.504612 24.4649 -164.854 -191.518 # Removing break before 118 # jumping subtree containing (T0187)L138 jump= -0.217382 0.572428 -0.790483 -0.0144001 -35.8592 -26.1721 -339.807 # Removing break before 118 # jumping subtree containing (T0187)L148 jump= -0.888817 -0.178013 -0.219312 0.360858 70.0243 -122.429 -53.4751 # generation 126: best score out of 40: T0187.try1-al10 71.124 cost/residue, 380 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1543 ## OptSubtree 1441 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E130 jump= 0.955891 0.0512839 -0.0399949 -0.286432 -11.109 -49.5883 30.0546 # Removing break before 41 # jumping subtree containing (T0187)T97 jump= 0.925784 0.377588 0.0165938 0.00869907 9.12113 -132.115 -18.004 # jumping subtree containing (T0187)L32 jump= 0.193973 -0.848173 -0.259675 0.418983 -203.37 103.775 -330.678 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.122925 0.211719 -0.255993 0.935164 -95.5467 -103.82 -6.76191 # jumping subtree containing (T0187)T97 jump= -0.808862 0.173081 -0.196917 0.526316 67.4481 -44.7466 -32.6738 # jumping subtree containing (T0187)E106 jump= -0.958075 -0.284636 -0.0187801 -0.0268673 21.4152 -90.6022 -31.4886 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L138 jump= -0.998414 -0.0446147 -0.00752519 -0.0335069 -8.49167 -23.1335 7.03432 # jumping subtree containing (T0187)K72 jump= -0.921929 0.0296593 -0.223624 -0.314897 33.8009 46.9863 -30.946 # jumping subtree containing (T0187)L138 jump= -0.329165 -0.35982 0.395604 0.778253 -264.543 -26.4741 -128.258 # generation 127: best score out of 40: T0187.try1-al10 71.124 cost/residue, 380 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1557 ## OptSubtree 1454 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= -0.891823 -0.20578 0.128193 -0.381933 -37.6544 -59.6641 8.34373 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E106 jump= 0.904263 -0.338017 -0.193075 0.175427 -87.7852 117.135 -33.9533 # Removing break before 53 # jumping subtree containing (T0187)T97 jump= -0.557094 -0.622304 0.313919 -0.451486 -1.03574 -186.427 -115.775 # jumping subtree containing (T0187)E106 jump= 0.901673 -0.33731 -0.191999 -0.190641 -47.5547 96.5839 -43.0937 # Removing break before 96 # generation 128: best score out of 40: T0187.try1-al10 71.1235 cost/residue, 380 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1570 ## OptSubtree 1471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K47 jump= -0.937358 -0.150808 -0.0885283 0.301296 2.1887 -90.3219 -3.12469 # jumping subtree containing (T0187)K47 jump= 0.938709 -0.324292 -0.0772275 -0.0877228 -0.00478268 104.519 -45.7147 # jumping subtree containing (T0187)L138 jump= 0.47845 -0.0256667 -0.267686 -0.835925 -89.6533 -13.4153 32.1399 # jumping subtree containing (T0187)L118 jump= -0.999586 -0.0114084 0.0263067 0.00233496 -15.2475 -9.78532 2.34733 # jumping subtree containing (T0187)T97 jump= -0.894693 -0.139275 0.0386073 -0.422653 -19.0616 -9.6097 15.7083 # Removing break before 53 # jumping subtree containing (T0187)K54 jump= 0.311028 0.38648 0.740112 -0.454015 -29.8556 -167.476 -344.341 # Removing break before 96 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)F119 jump= 0.810244 0.235492 0.536348 0.0194834 104.172 -21.7526 -140.643 # Removing break before 53 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L138 jump= -0.414269 -0.214862 -0.574137 0.672742 -21.9023 -211.905 -213.214 # Removing break before 96 # Removing break before 53 # jumping subtree containing (T0187)K47 jump= 0.898953 0.425353 0.0428845 -0.095499 2.21929 -146.018 -69.847 # generation 129: best score out of 40: T0187.try1-al10 71.1235 cost/residue, 380 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1576 ## OptSubtree 1489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F119 jump= -0.987464 -0.0424873 -0.0910828 0.121715 27.0932 -39.3415 -6.84365 # Removing break before 53 # Removing break before 96 # Removing break before 53 # jumping subtree containing (T0187)L131 jump= -0.824507 0.452712 0.339274 0.011568 -112.921 130.84 -68.5814 # Removing break before 118 # Removing break before 118 # jumping subtree containing (T0187)L138 jump= 0.923257 -0.0347777 -0.232179 -0.304106 -83.4449 -1.38928 19.0705 # Removing break moved up 3 to before 108 # generation 130: best score out of 40: T0187.try1-al10 71.1235 cost/residue, 380 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1587 ## OptSubtree 1502 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L42 jump= 0.336808 0.0641752 0.765493 -0.544483 -38.982 -210.555 -285.755 # jumping subtree containing (T0187)N112 jump= 0.659198 0.445383 -0.570347 -0.204441 -215.725 -114.017 -124.221 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E106 jump= 0.238025 -0.436836 -0.833432 0.240643 -171.062 -17.1024 -290.883 # jumping subtree containing (T0187)V69 jump= 0.00534276 0.872058 -0.41309 0.26238 28.7908 -158.116 -263.176 # Removing break before 31 # jumping subtree containing (T0187)T97 jump= 0.309763 0.624767 0.590819 0.405766 83.9297 46.2771 -219.376 # Removing break before 53 # Removing break before 31 # jumping subtree containing (T0187)T97 jump= 0.192939 -0.728249 -0.0527652 -0.655472 163.41 -14.6008 -165.042 # jumping subtree containing (T0187)L138 jump= -0.832075 -0.00687127 -0.518299 0.197409 141.994 -36.885 -132.304 # Removing break before 96 # jumping subtree containing (T0187)D38 jump= -0.596949 -0.159175 -0.243422 -0.747704 -48.3373 115.069 -12.5778 # Removing break moved up 3 to before 108 # generation 131: best score out of 40: T0187.try1-al10 71.1234 cost/residue, 380 clashes 0.118866 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1599 ## OptSubtree 1514 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # jumping subtree containing (T0187)L131 jump= -0.994325 0.0478704 -0.0940747 0.0132662 52.9775 -4.28469 -16.033 # Removing break before 118 # jumping subtree containing (T0187)L149 jump= -0.641727 0.737733 -0.204732 -0.0449494 30.0011 115.358 -248.814 # jumping subtree containing (T0187)T97 jump= 0.0706773 0.849737 -0.343014 0.394073 85.2936 -206.81 -311.038 # Removing break before 96 # generation 132: best score out of 40: T0187.try1-al10 71.1234 cost/residue, 380 clashes 0.118866 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1613 ## OptSubtree 1524 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= -0.995675 -0.0548191 -0.0681776 -0.0312662 33.8905 9.70784 -5.18993 # Removing break before 118 # jumping subtree containing (T0187)T97 jump= 0.97439 0.217405 0.0426494 0.0384649 20.8944 -44.434 -29.393 # jumping subtree containing (T0187)T97 jump= 0.677969 0.0624083 0.718955 0.139879 65.0662 48.7353 -302.912 # Removing break before 96 # Removing break before 53 # jumping subtree containing (T0187)L138 jump= 0.784764 -0.0478847 -0.123221 0.605532 -126.575 -1.73586 -29.2569 # generation 133: best score out of 40: T0187.try1-al10 71.1223 cost/residue, 382 clashes 0.120386 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 44 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1625 ## OptSubtree 1535 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break moved up 3 to before 108 # Removing break before 118 # jumping subtree containing (T0187)L138 jump= -0.125332 0.0339375 0.440284 -0.88842 -167.957 -187.449 -81.8597 # jumping subtree containing (T0187)T97 jump= -0.944812 -0.153763 -0.287838 -0.028938 74.22 -33.1547 -40.288 # jumping subtree containing (T0187)K72 jump= 0.0463125 0.471851 -0.31614 -0.821746 -248.734 30.6355 -148.571 # Removing break before 96 # jumping subtree containing (T0187)L138 jump= -0.673734 0.279101 0.49924 0.467915 -111.887 106.753 -30.1956 # jumping subtree containing (T0187)V69 jump= -0.976261 -0.0302217 -0.202591 -0.0704062 88.0128 2.66815 -16.2657 # jumping subtree containing (T0187)F119 jump= -0.144115 0.697517 -0.109392 -0.69335 -268.58 -2.07851 -297.839 # jumping subtree containing (T0187)T97 jump= -0.836153 0.529222 0.136057 -0.0475533 -39.2301 121.54 -120.407 # jumping subtree containing (T0187)K72 jump= -0.529262 0.440424 0.0369834 -0.724252 -197.588 99.177 -116.032 # jumping subtree containing (T0187)T97 jump= 0.793743 0.498712 0.0134853 -0.34796 -22.0927 -213.714 -77.8045 # jumping subtree containing (T0187)T97 jump= 0.568524 -0.0144461 0.582599 -0.580647 46.2261 -228.092 -249.431 # jumping subtree containing (T0187)E77 jump= -1 0.000105243 2.04306e-05 -0.00020693 11.0176 9.74064 24.7165 # generation 134: best score out of 40: T0187.try1-al10 71.1036 cost/residue, 361 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1637 ## OptSubtree 1546 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)M1 jump= -0.732312 0.66054 -0.127276 0.105859 71.0706 93.2091 -204.232 # jumping subtree containing (T0187)P93 jump= -0.582692 -0.401898 0.0214839 -0.706036 -65.8491 -108.333 5.3834 # jumping subtree containing (T0187)Q142 jump= -0.949387 -0.197966 0.200839 -0.13834 -67.6794 -33.7775 43.0669 # jumping subtree containing (T0187)L138 jump= 0.999592 -0.00336656 -0.0160139 -0.0233903 -16.5553 -9.41788 -21.2998 # jumping subtree containing (T0187)K72 jump= 0.9838 -0.131638 0.0744504 0.0962597 23.5285 50.0254 -13.552 # Removing break moved up 3 to before 108 # Removing break before 53 # generation 135: best score out of 40: T0187.try1-al10 71.1036 cost/residue, 361 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1653 ## OptSubtree 1565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 41 # jumping subtree containing (T0187)K47 jump= -0.923567 -0.174388 -0.306278 -0.151021 75.4265 -35.4728 -74.1641 # jumping subtree containing (T0187)E106 jump= -0.205966 0.826428 -0.489213 0.18779 60.1209 -41.0894 -309.847 # jumping subtree containing (T0187)E106 jump= 0.710307 0.68297 0.0754658 0.152715 65.0405 -164.519 -144.831 # jumping subtree containing (T0187)A88 jump= -0.989038 -0.0960036 0.111843 0.00883937 -36.9072 -59.0802 10.1749 # Removing break before 89 # jumping subtree containing (T0187)E106 jump= -0.979633 -0.0944528 0.174472 -0.0309263 -78.4962 -28.7081 30.8814 # generation 136: best score out of 40: T0187.try1-al10 71.1034 cost/residue, 361 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 115 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1668 ## OptSubtree 1583 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.0816165 0.385119 0.226003 0.891036 16.2253 23.5174 -13.3637 # jumping subtree containing (T0187)L37 jump= 0.261318 0.938966 0.064295 -0.214293 -76.0157 -87.603 -334.629 # jumping subtree containing (T0187)E106 jump= 0.999642 0.00393041 -0.021288 -0.0157004 7.70887 -21.3521 -3.22023 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)V69 jump= 0.141218 0.962605 0.123245 -0.195602 -87.1865 -76.9618 -370.47 # jumping subtree containing (T0187)E106 jump= -0.0128549 -0.352944 0.886341 -0.29944 -71.0944 -170.349 -341.296 # jumping subtree containing (T0187)K47 jump= -0.498739 0.400149 0.244499 -0.728945 -224.525 4.52767 -102.542 # generation 137: best score out of 40: T0187.try1-al10 71.1034 cost/residue, 361 clashes 0.118867 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 116 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1677 ## OptSubtree 1597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.698869 -0.284235 0.578146 0.310709 36.1572 115.679 -192.453 # jumping subtree containing (T0187)L138 jump= -0.78879 0.509115 0.331868 -0.0920694 -111.31 172.771 -113.404 # Removing break before 53 # jumping subtree containing (T0187)E106 jump= -0.189594 -0.0110405 0.750616 -0.632856 -147.081 -148.281 -163.596 # jumping subtree containing (T0187)G124 jump= -0.965771 -0.0938627 -0.00536085 0.241757 -15.8009 -86.7527 -7.94885 # Removing break before 31 # generation 138: best score out of 40: T0187.try1-al10 71.1031 cost/residue, 361 clashes 0.118866 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 116 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1690 ## OptSubtree 1608 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 118 # Removing break before 53 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E106 jump= -0.664025 -0.603345 -0.40771 0.169756 32.1522 -147.443 -217.43 # Removing break before 96 # jumping subtree containing (T0187)K47 jump= -0.855213 0.0189205 0.249761 -0.453731 -104.918 21.6287 5.07533 # jumping subtree containing (T0187)L32 jump= 0.288543 -0.581281 0.18348 0.73837 -178.077 96.408 -188.49 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)K54 jump= 0.821933 0.554382 -0.0538443 -0.119116 -35.4221 -189.435 -98.227 # jumping subtree containing (T0187)E106 jump= -0.999838 0.0142463 0.00357404 0.0104188 -8.40617 8.05704 16.974 # jumping subtree containing (T0187)K72 jump= 0.945239 -0.00971107 0.300819 0.126239 102.605 26.2567 -39.0749 # generation 139: best score out of 40: T0187.try1-al10 71.1031 cost/residue, 361 clashes 0.118866 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 80 ## TwoFragment 18 ## CrossOver 116 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1700 ## OptSubtree 1622 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.996575 0.0458837 0.0614469 -0.0309318 25.4721 -4.0337 6.3516 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)F23 jump= -0.228707 -0.895446 0.0897392 -0.371236 109.295 -163.385 -279.365 # jumping subtree containing (T0187)K54 jump= 0.990243 -0.0686471 -0.034149 -0.116362 -26.189 27.941 8.82247 # Removing break before 53 # Removing break before 41 # Removing break before 96 # Removing break before 41 # generation 140: best score out of 40: T0187.try1-al10 71.0459 cost/residue, 368 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 117 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1710 ## OptSubtree 1634 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= -0.54052 0.384641 -0.710125 0.23582 87.9991 -37.1484 -272.372 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)K72 jump= -0.325729 0.761279 -0.531013 -0.179942 -31.89 84.1693 -369.546 # jumping subtree containing (T0187)E106 jump= -0.325533 -0.442606 0.612247 0.568578 -263.943 41.1533 -217.595 # Removing break moved up 3 to before 108 # Removing break before 53 # Removing break before 118 # Removing break before 41 # jumping subtree containing (T0187)E106 jump= -0.986315 0.127203 0.0970228 -0.0398575 -42.4925 67.2003 10.3097 # generation 141: best score out of 40: T0187.try1-al10 71.0459 cost/residue, 368 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 118 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1719 ## OptSubtree 1648 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= 0.531966 -0.261746 -0.801995 -0.0728391 -223.161 98.7036 -216.183 # jumping subtree containing (T0187)L138 jump= 0.899357 0.11716 -0.235472 -0.34926 -79.591 -37.2007 6.56016 # jumping subtree containing (T0187)E106 jump= -0.437313 0.760009 0.190145 0.441575 87.5575 154.133 -185.67 # Removing break before 53 # Removing break before 53 # jumping subtree containing (T0187)E106 jump= -0.951907 -0.0450551 -0.0436279 -0.2999 32.7217 42.926 1.29399 # generation 142: best score out of 40: T0187.try1-al10 71.0459 cost/residue, 368 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 118 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1736 ## OptSubtree 1668 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= -0.987713 -0.0101357 0.0480908 -0.148347 -27.0124 32.9002 -11.0882 # jumping subtree containing (T0187)L138 jump= 0.688747 0.589352 0.408455 -0.107033 47.8604 -142.173 -219.225 # jumping subtree containing (T0187)L138 jump= -0.976608 0.0473694 0.160223 -0.135358 -58.6868 39.156 16.4952 # jumping subtree containing (T0187)T97 jump= -0.223427 -0.419409 0.606835 0.637124 -260.562 46.2545 -207.301 # jumping subtree containing (T0187)L32 jump= -0.607742 -0.544317 -0.574163 -0.0685944 92.411 -32.6451 -289.169 # jumping subtree containing (T0187)V69 jump= -0.0883971 0.645628 -0.756237 0.058781 -43.9916 -85.498 -422.868 # Removing break before 96 # jumping subtree containing (T0187)E106 jump= -0.641046 0.524968 0.407443 -0.384003 -204.191 136.671 -160.62 # Removing break before 118 # Removing break before 53 # generation 143: best score out of 40: T0187.try1-al10 71.0459 cost/residue, 368 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 119 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1746 ## OptSubtree 1681 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= 0.981844 -0.118054 0.0725548 0.129542 20.7582 76.7948 -25.4279 # jumping subtree containing (T0187)F23 jump= 0.503979 0.231736 -0.720189 -0.41669 -281.058 35.4281 -166.306 # Removing break before 118 # jumping subtree containing (T0187)V69 jump= 0.907846 -0.0493142 -0.311924 0.27584 -151.33 28.7181 5.28108 # jumping subtree containing (T0187)E106 jump= 0.990637 -0.068995 -0.0958636 0.0684641 -56.2386 17.9268 21.272 # jumping subtree containing (T0187)E106 jump= -0.702144 -0.00641375 0.473968 0.531326 -171.702 58.3604 -37.6769 # jumping subtree containing (T0187)E106 jump= 0.988887 0.00331527 -0.0440955 -0.14194 -30.2282 -0.649321 -6.7223 # Removing break before 53 # jumping subtree containing (T0187)H90 jump= -0.358526 0.370717 0.852875 0.0814358 -165.895 93.1361 -289.419 # Removing break before 96 # generation 144: best score out of 40: T0187.try1-al10 71.0459 cost/residue, 368 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 119 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1753 ## OptSubtree 1698 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.762119 -0.29374 -0.186347 -0.546046 -38.0405 73.1754 -5.97744 # jumping subtree containing (T0187)G89 jump= -0.332595 0.201693 -0.320943 -0.863537 -142.778 148.945 -62.1267 # Removing break before 118 # jumping subtree containing (T0187)K72 jump= 0.664697 -0.509265 0.221622 -0.499711 100.511 19.6419 -133.874 # jumping subtree containing (T0187)E106 jump= -0.559009 0.290667 -0.320777 0.707194 54.678 -82.7508 -57.0419 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L32 jump= 0.553171 0.673553 -0.319687 0.371657 -34.6375 -192.763 -152.056 # Removing break before 118 # Removing break before 118 # Removing break before 31 # generation 145: best score out of 40: T0187.try1-al10 71.0399 cost/residue, 367 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 122 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1763 ## OptSubtree 1709 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.122763 -0.624114 -0.768174 0.0729342 -114.474 66.2006 -388.603 # jumping subtree containing (T0187)L32 jump= -0.323513 -0.326826 0.322635 0.827303 -281.716 2.06138 -108.229 # jumping subtree containing (T0187)V69 jump= -0.777578 0.225686 -0.486516 0.32824 154.274 -63.8115 -150.991 # Removing break before 96 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)R39 jump= -0.762793 0.159927 -0.00099114 -0.626553 -99.2976 103.198 -48.3482 # jumping subtree containing (T0187)R39 jump= -0.313395 -0.586247 -0.679889 0.309595 -58.2978 -140.039 -368.169 # Removing break before 41 # jumping subtree containing (T0187)E106 jump= -0.121733 0.752023 0.230081 -0.605562 -252.179 4.27804 -281.213 # Removing break before 118 # Removing break before 118 # generation 146: best score out of 40: T0187.try1-al10 71.0358 cost/residue, 367 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 122 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1777 ## OptSubtree 1721 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= -0.56487 0.0128347 0.39888 -0.722255 -151.409 -73.4575 -40.0484 # jumping subtree containing (T0187)V69 jump= -0.0481983 0.777665 0.468948 0.415936 66.4119 113.452 -268.261 # Removing break before 118 # jumping subtree containing (T0187)V69 jump= 0.868479 -0.234192 0.153111 -0.409213 61.6098 10.2877 -58.0272 # Removing break before 96 # Removing break before 118 # Removing break moved up 3 to before 108 # Removing break before 118 # jumping subtree containing (T0187)D94 jump= 0.606409 0.246827 -0.139567 -0.742877 -173.049 -40.2823 -34.6192 # jumping subtree containing (T0187)E106 jump= 0.937886 0.0427337 0.00758383 0.344217 -21.9565 45.4477 7.01963 # jumping subtree containing (T0187)V69 jump= 0.923402 -0.294336 0.0614897 -0.238566 22.4275 68.8014 -8.68518 # generation 147: best score out of 40: T0187.try1-al10 71.0356 cost/residue, 367 clashes 0.108945 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 122 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1796 ## OptSubtree 1739 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.821719 -0.288364 -0.183152 0.456157 -138.482 98.2338 -23.2742 # Removing break before 118 # jumping subtree containing (T0187)V69 jump= -0.578101 -0.706056 0.401826 -0.0762892 -72.039 -134.601 -256.298 # Removing break before 96 # jumping subtree containing (T0187)L149 jump= 0.977507 0.00648774 -0.00950994 0.210587 -6.56456 19.0683 1.28615 # jumping subtree containing (T0187)L138 jump= 0.774296 -0.40328 0.265609 -0.409002 88.3568 21.9604 -60.3421 # jumping subtree containing (T0187)L32 jump= -0.489307 -0.544057 0.31097 -0.60653 23.6544 -97.5762 -95.6075 # jumping subtree containing (T0187)K72 jump= 0.154496 0.952346 -0.23298 0.122023 19.7615 -28.0323 -361.055 # jumping subtree containing (T0187)K72 jump= -0.975328 -0.191249 0.107564 -0.0242688 -29.6954 -69.9288 -21.2342 # jumping subtree containing (T0187)K47 jump= -0.690568 -0.0280498 0.343754 0.635737 -142.331 28.3184 -11.2574 # jumping subtree containing (T0187)V69 jump= 0.853851 0.395938 -0.142416 -0.306415 -80.8355 -110.033 -68.8126 # Removing break moved up 3 to before 108 # Removing break before 96 # generation 148: best score out of 40: T0187.try1-al10 71.0354 cost/residue, 367 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 122 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1810 ## OptSubtree 1750 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K72 jump= 0.996685 0.0510576 0.0400238 0.0490855 4.65492 -9.53769 -8.33696 # jumping subtree containing (T0187)G124 jump= 0.0070851 -0.427398 0.329011 0.842041 -262.295 113.992 -156.385 # jumping subtree containing (T0187)L138 jump= -0.897634 -0.215062 0.00557087 -0.38467 13.0287 -38.6298 -3.4301 # jumping subtree containing (T0187)V69 jump= 0.0903234 -0.684589 -0.679535 -0.247815 -32.0017 150.593 -252.832 # Removing break before 41 # jumping subtree containing (T0187)K72 jump= 0.627063 -0.652274 -0.415295 0.0941324 -156.839 237.96 -157.396 # jumping subtree containing (T0187)E106 jump= 0.992276 0.068977 -0.0996161 0.0266041 -56.0604 -9.81696 12.621 # Removing break before 41 # generation 149: best score out of 40: T0187.try1-al10 71.0349 cost/residue, 367 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 123 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1819 ## OptSubtree 1764 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K150 jump= 0.0284715 -0.832887 0.442902 -0.330645 83.6054 -64.4615 -253.209 # Removing break before 96 # jumping subtree containing (T0187)L138 jump= -0.991508 0.118113 0.0502749 -0.0208213 -15.5278 50.6707 -1.65978 # Removing break before 118 # Removing break before 96 # jumping subtree containing (T0187)E106 jump= 0.839203 0.164486 -0.475706 -0.205879 -164.648 -56.4061 -36.6539 # Removing break before 118 # jumping subtree containing (T0187)V69 jump= -0.120362 0.992344 0.0266325 -0.00758035 -9.91418 70.138 -356.405 # Removing break before 118 # Removing break before 96 # generation 150: best score out of 40: T0187.try1-al10 71.0349 cost/residue, 367 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 125 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1827 ## OptSubtree 1778 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)L138 jump= -0.993732 -0.047237 -0.0426852 -0.0918895 -1.43147 -4.18591 9.64022 # Removing break before 96 # Removing break before 118 # jumping subtree containing (T0187)G124 jump= 0.940278 -0.049645 -0.310906 0.129423 -143.014 15.201 -14.6617 # jumping subtree containing (T0187)V69 jump= 0.980227 -0.0610813 -0.0546956 -0.180093 -10.2737 0.253884 9.21262 # jumping subtree containing (T0187)V69 jump= -0.598058 -0.56144 0.563265 0.0992139 -204.483 -151.525 -197.532 # jumping subtree containing (T0187)V69 jump= 0.383504 0.28157 -0.764074 -0.435699 -234.823 44.0328 -232.17 # jumping subtree containing (T0187)H75 jump= 0.82356 0.518339 -0.201423 -0.111817 -81.0396 -195.807 -117.922 # jumping subtree containing (T0187)L32 jump= -0.310261 -0.59071 0.587918 -0.457332 -29.7612 -204.521 -194.159 # jumping subtree containing (T0187)K47 jump= 0.864512 -0.180721 0.426792 0.194441 101.185 115.728 -120.602 # Removing break before 41 # Removing break before 53 # jumping subtree containing (T0187)T97 jump= 0.490742 0.383571 -0.431455 0.652604 -15.5233 -80.7024 -39.5409 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)M1 jump= -0.894484 0.307264 0.245356 0.21281 -68.5705 136.231 -39.8484 # generation 151: best score out of 40: T0187.try1-al10 71.0349 cost/residue, 367 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 125 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1832 ## OptSubtree 1797 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)L32 jump= 0.997471 0.0117784 0.0546571 -0.0438861 24.8011 -20.617 -8.30416 # jumping subtree containing (T0187)L32 jump= 0.657268 -0.708641 -0.110202 -0.231693 54.2108 196.199 -185.21 # generation 152: best score out of 40: T0187.try1-al10 71.0349 cost/residue, 367 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 81 ## TwoFragment 18 ## CrossOver 127 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1840 ## OptSubtree 1811 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L32 jump= 0.222085 -0.518485 0.603819 -0.563253 122.902 -152.159 -281.306 # jumping subtree containing (T0187)Y73 jump= -0.752624 0.490368 0.383134 0.215185 -128.61 211.302 -112.154 # jumping subtree containing (T0187)M1 jump= -0.644746 0.102106 0.36835 0.661964 -123.907 45.6748 4.51419 # jumping subtree containing (T0187)L32 jump= -0.339723 -0.0251212 -0.0910034 -0.935776 -117.236 71.9951 -27.785 # Removing break before 41 # jumping subtree containing (T0187)F119 jump= 0.832289 -0.149788 0.387551 -0.366963 142.094 -39.7425 -105.598 # jumping subtree containing (T0187)M1 jump= 0.942522 0.0946668 0.319851 0.0196488 111.03 -10.5137 -59.9735 # jumping subtree containing (T0187)V69 jump= 0.984268 0.0469465 -0.0811608 0.149748 -50.0285 -8.23872 -9.77742 # jumping subtree containing (T0187)L32 jump= 0.447284 0.2461 -0.160859 0.844687 -38.863 -57.7022 -21.0795 # jumping subtree containing (T0187)M1 jump= 0.992945 0.0421448 -0.0867716 -0.0689545 -34.383 -15.186 24.4846 # generation 153: best score out of 40: T0187.try1-al10 70.9581 cost/residue, 365 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 128 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1842 ## OptSubtree 1831 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.998958 0.0287282 -0.029342 0.0199286 -14.2009 8.54528 -3.8736 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L32 jump= 0.413716 -0.443533 -0.0440685 0.793836 -238.901 121.46 -121.88 # jumping subtree containing (T0187)V68 jump= -0.764114 0.61872 0.176787 -0.0454046 -98.5202 247.372 -148.067 # jumping subtree containing (T0187)F23 jump= -0.842164 0.119911 0.154852 0.502397 -86.0451 16.2283 -11.6336 # generation 154: best score out of 40: T0187.try1-al10 70.9581 cost/residue, 365 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 128 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1850 ## OptSubtree 1847 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)K54 jump= 0.0791732 -0.849996 -0.20612 0.478281 -220.612 7.56931 -401.584 # jumping subtree containing (T0187)E106 jump= -0.584875 0.717305 -0.0433103 -0.376191 -82.6751 180.341 -225.618 # Removing break before 31 # jumping subtree containing (T0187)Q142 jump= -0.876924 -0.30739 -0.0197536 0.368951 -68.4585 -148.792 -56.3888 # Removing break before 53 # jumping subtree containing (T0187)E130 jump= -0.781222 0.407499 -0.153559 -0.447277 -69.9174 168.412 -136.554 # Removing break before 31 # jumping subtree containing (T0187)L138 jump= -0.608201 -0.363301 -0.126751 0.69429 -87.1552 -169.461 -73.736 # generation 155: best score out of 40: T0187.try1-al10 70.9571 cost/residue, 365 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 128 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1864 ## OptSubtree 1870 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G125 jump= -0.996424 0.0733085 0.0344794 0.0240125 -33.4415 13.9087 9.82419 # jumping subtree containing (T0187)M1 jump= 0.989849 -0.115555 -0.0068119 0.0824546 2.65869 36.0318 -14.1951 # jumping subtree containing (T0187)E106 jump= -0.978356 0.012315 0.018321 0.205746 9.61537 4.15322 -5.64705 # jumping subtree containing (T0187)F23 jump= -0.781183 0.194589 -0.474952 0.355399 161.639 -99.8382 -177.722 # jumping subtree containing (T0187)E106 jump= 0.805258 -0.22321 -0.346069 0.426582 -172.861 83.253 -58.5685 # jumping subtree containing (T0187)T97 jump= 0.952812 -0.00710818 -0.128726 0.274823 -77.9446 0.803752 14.8296 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)V69 jump= -0.938027 0.125096 0.235857 0.220969 -99.71 49.3991 27.9554 # jumping subtree containing (T0187)E106 jump= -0.155464 0.679384 0.587231 -0.411616 -217.018 -14.7285 -316.793 # jumping subtree containing (T0187)L149 jump= -0.85038 0.31677 -0.315798 0.277097 124.942 27.0149 -111.293 # generation 156: best score out of 40: T0187.try1-al10 70.957 cost/residue, 365 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 132 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1876 ## OptSubtree 1880 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)F23 jump= -0.766153 -0.395253 -0.336024 0.379306 29.3461 -248.136 -201.609 # jumping subtree containing (T0187)F119 jump= -0.948156 0.114897 -0.211176 -0.207852 39.8285 88.1732 -40.2962 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)T97 jump= -0.837596 -0.194836 0.0516904 0.507741 -134.417 -137.743 -24.5615 # jumping subtree containing (T0187)K47 jump= -0.343015 -0.882341 0.299752 -0.118168 -26.3901 -191.939 -344.273 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)K47 jump= 0.319079 -0.726005 -0.320104 -0.518304 129.154 110.312 -220.914 # generation 157: best score out of 40: T0187.try1-al10 70.957 cost/residue, 365 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 135 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1885 ## OptSubtree 1892 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 31 # Removing break before 96 # jumping subtree containing (T0187)F23 jump= -0.947427 -0.24214 -0.155875 0.139476 68.4012 -99.9693 -53.8578 # jumping subtree containing (T0187)K47 jump= 0.653097 0.498646 0.338848 -0.458257 -35.757 -204.847 -204.808 # jumping subtree containing (T0187)L149 jump= 0.373721 -0.6444 0.582221 -0.325729 114.574 -63.1798 -324.671 # jumping subtree containing (T0187)V69 jump= 0.818351 -0.155158 0.47644 -0.281483 115.466 -49.2592 -131.061 # jumping subtree containing (T0187)E106 jump= 0.598315 0.515643 -0.429462 -0.437828 -226.729 -128.752 -176.796 # jumping subtree containing (T0187)F119 jump= 0.0717487 -0.84352 0.0752984 0.526931 -228.769 7.844 -330.389 # jumping subtree containing (T0187)V69 jump= 0.759046 -0.130992 0.621828 0.141497 127.244 71.8279 -195.149 # jumping subtree containing (T0187)V69 jump= 0.652108 -0.65989 -0.193768 -0.318988 23.2599 211.705 -169.188 # generation 158: best score out of 40: T0187.try1-al10 70.957 cost/residue, 365 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 137 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1891 ## OptSubtree 1908 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= -0.984464 0.0160048 -0.0486735 0.167947 30.1258 -25.1911 10.6723 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L138 jump= 0.184292 0.188137 -0.746374 0.611201 -241.129 -263.165 -268.668 # jumping subtree containing (T0187)K54 jump= 0.654041 0.384875 -0.231422 0.608724 6.84271 -118.89 -39.6688 # Removing break before 53 # jumping subtree containing (T0187)L32 jump= 0.984808 -0.140666 0.0992933 0.0225288 21.5106 81.92 -42.082 # jumping subtree containing (T0187)K54 jump= 0.918066 0.0664611 0.0358729 -0.389166 -34.4246 -56.4478 -10.8071 # generation 159: best score out of 40: T0187.try1-al10 70.957 cost/residue, 365 clashes 0.108946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 137 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1903 ## OptSubtree 1920 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L32 jump= -0.906858 0.0401522 -0.0173839 0.419158 -22.8841 -57.3286 -22.6956 # jumping subtree containing (T0187)F119 jump= 0.998349 -0.00855857 0.0288172 0.0489443 20.8615 25.6322 9.94739 # jumping subtree containing (T0187)L32 jump= -0.361158 -0.553518 -0.406222 0.631004 -192.103 -173.112 -254.216 # jumping subtree containing (T0187)M1 jump= -0.756618 0.536456 -0.336231 -0.163377 36.0728 147.83 -197.346 # jumping subtree containing (T0187)L42 jump= 0.578046 0.341816 -0.372812 -0.64034 -258.498 -51.1458 -84.178 # jumping subtree containing (T0187)L32 jump= 0.50865 0.450636 -0.579481 0.449893 -97.655 -210.571 -132.898 # generation 160: best score out of 40: T0187.try1-al10 70.9569 cost/residue, 365 clashes 0.108947 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 140 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1910 ## OptSubtree 1934 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)V69 jump= -0.764475 -0.0707747 -0.461569 -0.444435 10.812 141.283 -152.125 # jumping subtree containing (T0187)E106 jump= -0.844951 -0.367402 -0.0308433 0.387456 -47.8972 -168.14 -75.4767 # jumping subtree containing (T0187)L138 jump= -0.13203 -0.275532 -0.931139 -0.199076 -94.9316 111.469 -446.11 # jumping subtree containing (T0187)E106 jump= 0.311882 -0.512388 0.708831 -0.371142 62.0956 -86.8607 -311.739 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)M1 jump= -0.0938452 -0.972733 0.203774 -0.0588227 1.57348 -95.4348 -398.943 # jumping subtree containing (T0187)E106 jump= -0.808438 0.360425 0.415076 -0.210319 -215.205 123.194 -106.296 # jumping subtree containing (T0187)E106 jump= -0.124732 0.43151 -0.80229 -0.393156 -137.057 101.553 -331.652 # jumping subtree containing (T0187)V69 jump= -0.291822 0.459252 0.178598 -0.819775 -270.159 70.8747 -153.305 # Removing break before 96 # jumping subtree containing (T0187)L149 jump= 0.235823 0.685047 -0.678305 0.122475 -86.2034 -159.715 -365.665 # Removing break before 96 # jumping subtree containing (T0187)L138 jump= 0.221029 0.944259 0.0661178 -0.234839 -77.8402 -117.382 -380.191 # jumping subtree containing (T0187)L138 jump= 0.996459 0.0606723 -0.0196671 0.0547934 16.5 -29.1487 14.562 # jumping subtree containing (T0187)K47 jump= -0.955817 -0.0898723 0.277503 0.0364585 -151.101 -41.5498 3.34683 # jumping subtree containing (T0187)E106 jump= -0.672339 0.464789 -0.0321982 0.575235 79.2076 64.3113 -27.0447 # generation 161: best score out of 40: T0187.try1-al10 70.9569 cost/residue, 365 clashes 0.108947 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 143 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1914 ## OptSubtree 1951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.0272208 -0.00204894 0.513034 -0.857934 -133.086 -133.424 -104.391 # jumping subtree containing (T0187)E106 jump= 0.831581 0.445883 -0.24852 0.218861 -45.1754 -140.991 -68.6528 # jumping subtree containing (T0187)L149 jump= -0.8869 -0.142281 0.275473 0.342461 -139.609 -51.6092 -10.8516 # jumping subtree containing (T0187)V69 jump= 0.748271 0.385515 0.158357 -0.516131 -69.4497 -269.008 -137.321 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)M1 jump= -0.459517 0.793347 -0.201518 0.344725 101.782 65.5745 -270.526 # jumping subtree containing (T0187)E106 jump= 0.0393768 0.0118212 0.0602034 0.997339 -121.788 30.0986 22.1878 # jumping subtree containing (T0187)L149 jump= -0.999922 -0.00588846 0.0045317 -0.0100615 5.80275 15.8331 1.3882 # jumping subtree containing (T0187)E106 jump= -0.300181 0.0705927 -0.807069 -0.503535 -22.1579 184.924 -279.596 # Removing break before 96 # jumping subtree containing (T0187)G123 jump= 0.414202 0.755146 0.507851 -0.016669 62.2478 -115.738 -372.784 # jumping subtree containing (T0187)T97 jump= -0.867422 0.412015 -0.226868 -0.162339 21.2922 168.761 -112.612 # jumping subtree containing (T0187)L131 jump= 0.857082 0.331409 -0.38956 -0.061816 -189.081 -129.789 -59.6013 # generation 162: best score out of 40: T0187.try1-al10 70.9569 cost/residue, 365 clashes 0.108947 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 146 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1918 ## OptSubtree 1968 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.998551 0.0363079 0.0198113 0.0344268 -12.8153 28.0999 9.95014 # jumping subtree containing (T0187)L32 jump= 0.835331 0.403457 0.369868 -0.0514004 98.9618 -125.946 -152.074 # jumping subtree containing (T0187)E106 jump= -0.0086115 -0.955088 -0.28381 0.0847621 -60.2946 28.7488 -388.504 # Removing break before 53 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)K47 jump= -0.474355 -0.722217 -0.2084 0.458214 -142.516 -186.926 -296.994 # Removing break moved up 3 to before 108 # Removing break before 96 # jumping subtree containing (T0187)K54 jump= 0.302417 0.223086 0.210178 0.902553 15.5339 115.45 -38.916 # generation 163: best score out of 40: T0187.try1-al10 70.9568 cost/residue, 365 clashes 0.108947 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 82 ## TwoFragment 18 ## CrossOver 148 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1925 ## OptSubtree 1983 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 108 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E106 jump= 0.257395 0.399423 0.717675 -0.50907 -119.031 -131.436 -311.524 # jumping subtree containing (T0187)T97 jump= 0.178072 -0.165602 -0.834583 -0.494306 -111.823 199.849 -268.557 # jumping subtree containing (T0187)A53 jump= 0.465864 0.34996 -0.7805 -0.226536 -291.119 -47.5879 -249.653 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)F23 jump= 0.96868 -0.0255941 0.0803176 0.233566 9.48733 74.1168 -4.3763 # jumping subtree containing (T0187)T97 jump= 0.926529 -0.158583 -0.287113 -0.184284 -107.361 71.9548 -19.0736 # jumping subtree containing (T0187)E106 jump= 0.71806 0.263135 -0.0662346 -0.640908 -129.729 -102.949 -29.6959 # jumping subtree containing (T0187)E106 jump= -0.956647 0.264064 0.100158 -0.0711722 -48.2763 84.0331 -10.3114 # jumping subtree containing (T0187)F119 jump= 0.18221 0.347547 0.858978 -0.328887 -72.0643 -113.883 -374.682 # generation 164: best score out of 40: T0187.try1-al10 70.7795 cost/residue, 356 clashes 0.119019 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 149 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 124 ## JiggleSubtree 1929 ## OptSubtree 2001 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 89 # jumping subtree containing (T0187)Q142 jump= 0.996966 -0.0203812 -0.0658279 0.036193 -29.1798 -3.43686 7.11724 # jumping subtree containing (T0187)K17 jump= 0.840999 0.303374 0.159933 0.418457 106.684 -24.0463 -63.8037 # Removing break before 89 # jumping subtree containing (T0187)K72 jump= -0.912787 -0.31 -0.254303 -0.0777809 97.897 -61.4582 -106.754 # jumping subtree containing (T0187)L138 jump= -0.219824 0.857403 0.0434275 0.463305 141.596 68.3021 -281.712 # jumping subtree containing (T0187)L138 jump= -0.0814711 0.336648 0.155972 0.925042 61.7726 53.6813 -35.2385 # generation 165: best score out of 40: T0187.try1-al10 70.7795 cost/residue, 356 clashes 0.119019 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 150 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 125 ## JiggleSubtree 1941 ## OptSubtree 2013 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.997448 -0.0158383 -0.0675169 -0.0169684 -38.2548 -6.42676 13.9427 # Removing break before 60 # Removing break before 96 # jumping subtree containing (T0187)E106 jump= -0.139404 0.607128 -0.42513 0.656678 106.25 -123.63 -141.814 # Removing break before 96 # jumping subtree containing (T0187)E106 jump= -0.355312 0.432649 0.401069 -0.72506 -254.663 -10.3197 -142.193 # jumping subtree containing (T0187)K54 jump= -0.323586 0.670209 -0.663935 -0.0728084 29.7543 68.3547 -421.733 # jumping subtree containing (T0187)K72 jump= 0.845386 0.0316822 0.420114 0.328363 114.474 69.0753 -139.458 # jumping subtree containing (T0187)G61 jump= -0.225559 -0.18582 0.774165 -0.561483 -130.649 -209.072 -210.164 # jumping subtree containing (T0187)D38 jump= -0.120716 -0.390208 -0.800691 0.438246 -173.041 -114.215 -322.448 # jumping subtree containing (T0187)V69 jump= -0.526793 0.28265 -0.389284 -0.700754 -89.7835 246.666 -161.808 # jumping subtree containing (T0187)L42 jump= -0.699663 -0.376084 0.0840015 0.601645 -167.951 -141.05 -109.882 # generation 166: best score out of 40: T0187.try1-al10 70.7605 cost/residue, 367 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 150 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 1954 ## OptSubtree 2032 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= -0.773094 -0.173882 -0.328565 0.513942 24.2477 -148.601 -83.4633 # jumping subtree containing (T0187)K54 jump= 0.51057 -0.341839 0.227804 -0.75536 60.3023 -27.1818 -39.5048 # jumping subtree containing (T0187)M1 jump= -0.999012 -0.0367918 0.0164017 -0.0187613 -6.46541 -8.84208 -6.2263 # jumping subtree containing (T0187)K47 jump= 0.322548 -0.343204 0.109799 -0.875282 21.111 -36.2282 -14.8993 # jumping subtree containing (T0187)L121 jump= 0.940597 -0.160374 -0.0768619 -0.289223 -3.0907 52.7901 2.82738 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E106 jump= 0.197922 -0.668057 -0.299287 -0.651885 79.8954 156.832 -179.492 # jumping subtree containing (T0187)E106 jump= -0.0797876 -0.564834 0.580059 0.581488 -267.293 75.8846 -324.212 # jumping subtree containing (T0187)E106 jump= -0.163648 -0.785895 0.380954 -0.458762 101.637 -136.078 -286.036 # Removing break before 96 # Removing break before 96 # generation 167: best score out of 40: T0187.try1-al10 70.7589 cost/residue, 367 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 151 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 1967 ## OptSubtree 2045 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= -0.80817 -0.55721 0.0344768 0.187589 -69.3239 -170.687 -146.812 # jumping subtree containing (T0187)T31 jump= -0.25876 -0.122475 -0.667476 -0.6874 5.6213 231.176 -239.754 # jumping subtree containing (T0187)E106 jump= -0.98027 0.11674 -0.159402 0.00586527 32.3161 36.0461 -34.8246 # jumping subtree containing (T0187)L42 jump= 0.186767 0.909134 -0.322155 0.186573 18.6916 -109.336 -345.572 # jumping subtree containing (T0187)E106 jump= 0.938983 0.298503 -0.0462501 -0.164524 -39.8691 -131.788 -15.7767 # jumping subtree containing (T0187)T97 jump= 0.0265477 0.73932 -0.0110823 0.67274 151.764 13.6082 -169.261 # jumping subtree containing (T0187)T97 jump= -0.964903 -0.0832425 -0.240684 0.0640651 89.4344 -63.2114 -65.1111 # Removing break before 96 # Removing break before 60 # Removing break before 96 # jumping subtree containing (T0187)L32 jump= 0.506648 0.25533 -0.736227 -0.368895 -294.932 6.77541 -238.298 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E106 jump= -0.340674 0.293279 0.89207 -0.046251 -219.459 51.023 -293.604 # generation 168: best score out of 40: T0187.try1-al10 70.7582 cost/residue, 367 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 151 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 1982 ## OptSubtree 2064 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q142 jump= 0.31194 0.7743 0.227403 -0.501439 -180.49 -137.779 -315.55 # jumping subtree containing (T0187)E106 jump= 0.126605 0.373865 -0.917528 -0.0483649 -147.684 -47.6579 -369.933 # jumping subtree containing (T0187)T97 jump= -0.937996 0.122207 -0.038099 0.322146 29.3497 27.3209 -13.7591 # jumping subtree containing (T0187)V69 jump= -0.224246 -0.578326 0.0312879 0.783756 -295.872 14.265 -248.549 # jumping subtree containing (T0187)E106 jump= 0.730496 0.301966 -0.335189 -0.512679 -176.992 -73.8657 -49.0042 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L149 jump= -0.788479 -0.538806 0.291665 0.0540299 -135.575 -199.977 -140.241 # jumping subtree containing (T0187)L149 jump= 0.168163 0.492564 -0.852327 0.0513775 -145.255 -93.493 -382.093 # jumping subtree containing (T0187)T31 jump= 0.985097 -0.073562 0.070471 0.138584 13.4308 31.8157 -24.5004 # generation 169: best score out of 40: T0187.try1-al10 70.7581 cost/residue, 367 clashes 0.117745 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 151 ## CrossAndInsert 45 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 1993 ## OptSubtree 2077 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 53 # Removing break before 68 # jumping subtree containing (T0187)K54 jump= -0.988 0.0159743 0.0933054 0.122048 -56.1832 11.3888 13.1291 # jumping subtree containing (T0187)V15 jump= 0.0859392 -0.507271 -0.731783 -0.446973 15.8415 195.285 -284.116 # jumping subtree containing (T0187)L149 jump= 0.991247 -0.0289968 -0.0283912 -0.125628 -37.358 14.3769 11.5573 # Removing break before 41 # Removing break before 53 # jumping subtree containing (T0187)L149 jump= 0.961959 0.0534318 -0.265876 -0.0330184 -111.742 -4.44623 20.2141 # Removing break before 68 # generation 170: best score out of 40: T0187.try1-al10 70.656 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 153 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 1997 ## OptSubtree 2094 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= -0.0851381 -0.533002 0.412632 0.733754 -215.373 73.7623 -198.543 # jumping subtree containing (T0187)E106 jump= -0.386472 0.5173 -0.104055 -0.756447 -185.121 141.809 -160.064 # Removing break before 68 # jumping subtree containing (T0187)E106 jump= -0.178898 -0.316879 -0.905485 -0.218357 -9.89194 114.987 -362.442 # Removing break before 68 # jumping subtree containing (T0187)G78 jump= -0.994746 -0.0797621 -0.0549739 -0.0331013 26.5889 -24.125 -0.706591 # jumping subtree containing (T0187)G123 jump= -0.591688 0.505965 0.589878 -0.214359 -252.394 106.557 -214.82 # jumping subtree containing (T0187)E95 jump= 0.81653 0.488988 0.282248 -0.12044 29.5766 -141.195 -164.343 # jumping subtree containing (T0187)K54 jump= -0.939564 0.115898 -0.321543 0.0199372 108.845 35.3329 -82.2586 # Removing break before 41 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)E106 jump= 0.891972 0.251916 0.0240931 -0.374624 -40.4128 -133.372 -44.2971 # jumping subtree containing (T0187)T31 jump= -0.797143 -0.550652 -0.219724 -0.114306 84.0783 -167.027 -165.79 # jumping subtree containing (T0187)L138 jump= 0.121421 0.979594 -0.159908 0.0090921 4.13769 -69.4567 -380.287 # generation 171: best score out of 40: T0187.try1-al10 70.656 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 154 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2009 ## OptSubtree 2109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)E106 jump= -0.98233 -0.0178015 0.149389 -0.111327 -63.7022 -5.47439 4.5139 # jumping subtree containing (T0187)T97 jump= 0.193485 -0.0981197 -0.00596869 0.976166 -159.259 42.3505 -21.8174 # jumping subtree containing (T0187)G61 jump= 0.584753 -0.357722 -0.360913 -0.632329 -88.5767 170.722 -67.6436 # jumping subtree containing (T0187)E106 jump= -0.942571 0.333177 0.00252237 -0.0233838 9.63689 135.454 -31.593 # jumping subtree containing (T0187)T97 jump= -0.869517 0.430725 0.059945 -0.234143 -38.9604 189.511 -68.9737 # Removing break before 68 # generation 172: best score out of 40: T0187.try1-al10 70.6555 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 155 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2030 ## OptSubtree 2122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.784482 0.0293949 0.530437 -0.319938 -217.175 -31.0076 -44.1802 # jumping subtree containing (T0187)V15 jump= -0.860959 -0.0691121 0.456364 0.21379 -230.967 -19.5033 -58.8581 # jumping subtree containing (T0187)L138 jump= 0.953276 0.0272968 0.300205 0.0199148 135.898 2.35657 -77.141 # jumping subtree containing (T0187)E106 jump= 0.861881 -0.291025 -0.315627 -0.2699 -91.8399 112.038 -13.7687 # Removing break before 141 # jumping subtree containing (T0187)G61 jump= -0.324504 0.902212 -0.234223 0.160778 90.0449 115.504 -338.651 # Removing break before 41 # jumping subtree containing (T0187)K54 jump= -0.762881 0.461125 -0.176543 0.417384 79.4301 89.4423 -54.9755 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= -0.590361 0.443237 0.667604 0.0965378 -263.692 211.179 -191.518 # jumping subtree containing (T0187)L138 jump= -0.901237 -0.352802 0.194779 -0.159261 -86.2734 -150.221 -35.0291 # jumping subtree containing (T0187)L138 jump= -0.163664 -0.534799 -0.291908 0.775882 -240.615 -115.578 -176.107 # jumping subtree containing (T0187)L149 jump= -0.523187 0.409451 0.669421 -0.332417 -264.395 48.6838 -239.529 # Removing break before 96 # generation 173: best score out of 40: T0187.try1-al10 70.6554 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 156 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2037 ## OptSubtree 2140 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.932067 -0.190303 -0.306687 0.0312915 -141.344 76.4168 -37.6476 # jumping subtree containing (T0187)E106 jump= -0.993211 0.0305008 -0.107994 -0.0306366 51.7 0.983992 -14.6346 # jumping subtree containing (T0187)K47 jump= 0.0791299 0.337603 0.200623 -0.91625 -246.641 -80.828 -101.226 # jumping subtree containing (T0187)Y86 jump= -0.989927 -0.0674594 -0.120089 -0.0327559 32.3895 -36.8446 -41.4287 # jumping subtree containing (T0187)L138 jump= 0.949487 -0.26264 -0.164846 -0.0481615 -58.6972 127.383 -36.6989 # Removing break before 41 # jumping subtree containing (T0187)E106 jump= -0.136754 -0.242416 -0.307201 -0.910033 -7.03778 119.929 -59.0764 # jumping subtree containing (T0187)K54 jump= 0.997918 -0.0261 0.041073 -0.0423152 17.6051 -25.1971 4.04739 # Removing break before 68 # generation 174: best score out of 40: T0187.try1-al10 70.6545 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 156 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2046 ## OptSubtree 2155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.995634 -0.00544417 0.0076788 -0.0928725 -22.8209 -18.3516 0.969173 # jumping subtree containing (T0187)L138 jump= 0.976792 0.0321604 -0.207639 -0.0415781 -98.7633 -23.8406 9.53868 # Removing break before 89 # jumping subtree containing (T0187)K47 jump= -0.986902 0.0252801 -0.0613021 0.14706 31.4963 0.635911 -0.387964 # Removing break before 68 # jumping subtree containing (T0187)A56 jump= -0.613651 -0.522313 -0.13117 0.577422 -136.531 -193.039 -163.611 # jumping subtree containing (T0187)V15 jump= -0.56245 0.224307 0.291356 0.740572 -107.18 129.693 -7.49284 # jumping subtree containing (T0187)L149 jump= 0.354435 -0.560968 0.639438 0.388343 -55.8388 149.631 -336.58 # jumping subtree containing (T0187)L42 jump= 0.982435 0.0809348 0.0856254 -0.144706 15.4544 -35.5664 -33.5598 # jumping subtree containing (T0187)M1 jump= 0.71933 -0.400552 -0.331302 -0.460827 -39.7278 151.186 -43.0673 # jumping subtree containing (T0187)K47 jump= -0.999102 -0.0346419 -0.00448176 -0.0239995 5.14814 -30.6948 -13.3709 # Removing break before 96 # jumping subtree containing (T0187)E106 jump= -0.0618378 -0.77012 0.609146 -0.178977 25.6552 -81.2247 -377.473 # generation 175: best score out of 40: T0187.try1-al10 70.6545 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 156 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2049 ## OptSubtree 2176 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= -0.31523 0.713385 -0.582704 0.228402 55.6555 -52.2693 -298.777 # jumping subtree containing (T0187)L138 jump= 0.511932 0.151382 -0.562193 -0.631624 -246.131 99.6762 -147.956 # jumping subtree containing (T0187)A56 jump= 0.419412 0.273289 0.514307 0.696344 56.7847 190.058 -164.179 # Removing break before 68 # Removing break before 141 # jumping subtree containing (T0187)K54 jump= -0.74143 0.569609 0.104277 0.339046 16.6851 139.979 -96.7794 # jumping subtree containing (T0187)E106 jump= -0.982133 -0.148901 0.0206455 -0.11321 -5.19695 -50.3297 -28.8732 # Removing break before 68 # jumping subtree containing (T0187)L138 jump= 0.819693 0.187656 -0.526094 -0.126941 -202.043 -52.8943 -132.537 # Removing break before 96 # Removing break before 89 # jumping subtree containing (T0187)K54 jump= -0.900929 0.0198078 0.324681 0.287257 -155.952 11.9283 -7.04498 # jumping subtree containing (T0187)E106 jump= -0.987959 -0.0785586 -0.0976149 0.0907601 18.5667 -54.4055 -29.6379 # jumping subtree containing (T0187)H90 jump= 0.692335 -0.491618 -0.493263 -0.188878 -165.769 215.392 -164.381 # generation 176: best score out of 40: T0187.try1-al10 70.6545 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 158 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2058 ## OptSubtree 2189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= -0.820212 -0.40419 -0.0796852 -0.396904 96.9925 -98.9386 -84.3899 # Removing break before 96 # jumping subtree containing (T0187)G124 jump= 0.336077 0.784905 -0.47421 0.214713 -41.0751 -184.121 -304.708 # Removing break before 41 # jumping subtree containing (T0187)K47 jump= 0.999465 -0.0243188 0.00381114 -0.021548 -9.07151 21.3734 9.46492 # Removing break before 68 # Removing break before 141 # jumping subtree containing (T0187)E106 jump= -0.408154 -0.00103769 -0.543699 0.733348 -36.8498 -154.03 -138.511 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)T31 jump= -0.566735 -0.542048 -0.0808771 0.615186 -176.662 -190.116 -201.12 # generation 177: best score out of 40: T0187.try1-al10 70.6545 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 158 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2061 ## OptSubtree 2210 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= -0.114518 0.704742 0.635393 0.294109 17.2415 193.151 -382.14 # jumping subtree containing (T0187)L138 jump= -0.764871 0.0632656 -0.26235 0.58493 67.8368 -72.8045 -36.8333 # jumping subtree containing (T0187)H90 jump= -0.832147 0.539342 -0.0773799 -0.103217 -9.68739 202.105 -133.517 # jumping subtree containing (T0187)G61 jump= -0.23482 0.139664 0.906566 0.321701 -225.291 130.449 -332.946 # jumping subtree containing (T0187)L32 jump= -0.772478 0.535604 0.0625853 -0.335395 -97.1219 240.444 -103.173 # jumping subtree containing (T0187)L138 jump= -0.235172 -0.29252 -0.467215 -0.800523 108.626 193.851 -146.205 # Removing break before 68 # jumping subtree containing (T0187)E106 jump= 0.374795 -0.62725 0.612461 -0.301624 94.6242 -39.9214 -294.78 # Removing break before 53 # jumping subtree containing (T0187)E130 jump= -0.748827 -0.186039 0.363184 0.522251 -168.079 -33.9076 -38.0511 # Removing break moved up 3 to before 108 # generation 178: best score out of 40: T0187.try1-al10 70.6545 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 160 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2069 ## OptSubtree 2224 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= 0.829632 0.448626 0.19735 -0.267393 -4.09426 -195.351 -168.668 # Removing break before 68 # jumping subtree containing (T0187)Q142 jump= 0.99968 0.0181478 -0.015219 -0.0088318 5.17095 -4.03066 -12.8449 # jumping subtree containing (T0187)V15 jump= 0.623294 -0.347346 -0.612628 -0.339915 -158.505 194.402 -158.953 # jumping subtree containing (T0187)L138 jump= 0.664693 0.697968 0.0393999 -0.263574 -88.1642 -205.048 -265.291 # jumping subtree containing (T0187)M1 jump= -0.632416 -0.721022 0.196617 -0.203762 0.567986 -161.885 -227.05 # jumping subtree containing (T0187)L138 jump= -0.363279 -0.676495 -0.552341 -0.324503 152.896 51.9125 -351.474 # generation 179: best score out of 40: T0187.try1-al10 70.6545 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 160 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2074 ## OptSubtree 2243 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.0409459 0.532489 -0.678012 0.505053 84.1786 -157.562 -295.503 # Removing break before 68 # jumping subtree containing (T0187)E30 jump= 0.71427 -0.068887 -0.636134 0.283562 -250.304 -21.6333 -89.8536 # Removing break before 96 # Removing break before 89 # jumping subtree containing (T0187)V69 jump= -0.683762 -0.669762 -0.101929 -0.271108 127.189 -138.526 -276.582 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L138 jump= -0.68156 -0.283809 -0.648031 0.18704 141.951 -122.629 -278.906 # jumping subtree containing (T0187)D82 jump= -0.937269 0.135726 0.297173 -0.121625 -147.462 78.301 -11.7484 # jumping subtree containing (T0187)L138 jump= -0.172932 -0.760948 0.566069 -0.265742 45.3503 -146.17 -379.624 # jumping subtree containing (T0187)T97 jump= 0.625288 -0.309695 0.337677 -0.631727 112.099 -24.1905 -76.7921 # jumping subtree containing (T0187)L32 jump= 0.766193 0.278468 -0.161378 -0.556201 -209.435 -74.2622 -77.0578 # jumping subtree containing (T0187)V15 jump= 0.989936 0.102854 0.0953387 -0.0189188 48.365 -63.7476 -11.3726 # Removing break before 41 # jumping subtree containing (T0187)T31 jump= 0.927367 0.119227 -0.354164 0.0185089 -176.299 -66.3992 -35.0276 # generation 180: best score out of 40: T0187.try1-al10 70.6544 cost/residue, 353 clashes 0.117746 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 83 ## TwoFragment 18 ## CrossOver 163 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2078 ## OptSubtree 2260 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V15 jump= -0.974508 -0.167783 -0.117737 0.0912236 20.3253 -75.0174 -41.0794 # Removing break before 53 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)I85 jump= 0.123892 0.240204 0.0496409 0.961503 44.1778 96.8932 -10.015 # Removing break before 60 # jumping subtree containing (T0187)E130 jump= -0.847778 0.00938689 0.19408 -0.493474 -113.852 1.54905 -5.47151 # jumping subtree containing (T0187)L138 jump= 0.0624896 -0.127235 -0.965534 -0.218292 -87.598 123.14 -430.061 # jumping subtree containing (T0187)L111 jump= -0.876465 -0.041825 -0.41234 -0.24502 156.128 63.9906 -99.6883 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)F119 jump= 0.0633234 0.311247 -0.808298 -0.495751 -160.389 137.901 -348.844 # generation 181: best score out of 40: T0187.try1-al10 70.5706 cost/residue, 354 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 84 ## TwoFragment 18 ## CrossOver 164 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 2083 ## OptSubtree 2277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # jumping subtree containing (T0187)T97 jump= -0.887552 -0.310573 0.0339067 0.338594 -78.0843 -149.805 -93.1015 # Removing break before 41 # jumping subtree containing (T0187)K47 jump= 0.976159 0.206993 -0.0274648 -0.0592752 -20.4237 -86.8385 -53.2342 # jumping subtree containing (T0187)L131 jump= -0.527067 -0.346154 0.768909 0.105623 -229.082 -59.2784 -256.341 # jumping subtree containing (T0187)L138 jump= 0.891062 -0.379759 -0.170512 -0.180878 -41.9699 179.74 -69.4579 # jumping subtree containing (T0187)L138 jump= -0.161402 -0.786396 0.587172 0.103723 -80.4583 -34.2921 -460.271 # jumping subtree containing (T0187)E106 jump= 0.924683 0.143593 0.35187 -0.0230094 111.185 -55.0605 -90.4408 # Removing break before 96 # Removing break before 68 # generation 182: best score out of 40: T0187.try1-al10 70.5706 cost/residue, 354 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 84 ## TwoFragment 18 ## CrossOver 164 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2090 ## OptSubtree 2293 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= -0.363932 -0.31324 -0.377957 0.79157 -163.128 -142.676 -132.147 # jumping subtree containing (T0187)V15 jump= -0.997515 -0.065866 -0.0239905 -0.00700331 -1.27775 -30.1403 -32.4971 # jumping subtree containing (T0187)L138 jump= 0.380063 0.850193 -0.361998 -0.041 -83.7593 -149.551 -395.37 # jumping subtree containing (T0187)L138 jump= -0.524514 0.163313 -0.823445 0.141957 164.275 -46.9231 -322.912 # Removing break before 68 # Removing break before 96 # Removing break before 60 # generation 183: best score out of 40: T0187.try1-al10 70.5706 cost/residue, 354 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 84 ## TwoFragment 18 ## CrossOver 165 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2104 ## OptSubtree 2311 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= -0.895475 -0.103895 0.409808 -0.139237 -163.973 -59.178 -35.5154 # jumping subtree containing (T0187)V15 jump= 0.0990774 -0.964603 0.178305 0.16713 -81.2023 65.5734 -434.968 # jumping subtree containing (T0187)E106 jump= 0.277543 -0.6002 -0.69891 -0.272497 -129.113 254.333 -349.973 # jumping subtree containing (T0187)K54 jump= -0.723083 0.566928 -0.381746 -0.10007 79.2818 227.649 -238.585 # jumping subtree containing (T0187)K47 jump= -0.981563 0.18463 0.0101886 -0.0483891 17.8911 96.4798 -12.4567 # Removing break before 68 # jumping subtree containing (T0187)M1 jump= 0.999348 -0.0335118 0.0123211 0.00539994 -5.01838 14.738 4.26048 # jumping subtree containing (T0187)L149 jump= -0.173976 0.451675 -0.338708 -0.806845 -219.579 198.249 -228.534 # jumping subtree containing (T0187)D38 jump= 0.775388 0.382249 0.282045 0.416063 165.325 8.50047 -158.052 # Removing break moved up 3 to before 108 # Removing break before 60 # Removing break before 41 # Removing break before 41 # generation 184: best score out of 40: T0187.try1-al10 70.5706 cost/residue, 354 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 84 ## TwoFragment 18 ## CrossOver 165 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2111 ## OptSubtree 2330 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V15 jump= -0.999102 -0.00129976 -0.0423382 -0.000832533 6.88249 -12.4727 1.92981 # Removing break before 68 # jumping subtree containing (T0187)V69 jump= 0.781705 -0.301248 -0.545102 -0.0324057 -274.836 152.336 -129.497 # Removing break before 41 # jumping subtree containing (T0187)T97 jump= -0.99345 -0.018637 0.0250233 -0.109926 -6.20088 -0.419407 2.4793 # jumping subtree containing (T0187)L149 jump= 0.476812 0.511123 0.473146 -0.536223 -89.7972 -172.015 -267.597 # jumping subtree containing (T0187)G61 jump= 0.821059 0.0679967 -0.552445 0.126661 -235.869 -38.1402 -103.557 # jumping subtree containing (T0187)P93 jump= -0.922612 0.211472 0.0704426 -0.314809 -64.3726 80.876 -29.1162 # jumping subtree containing (T0187)T97 jump= -0.652838 -0.554298 0.469935 -0.213815 -81.1124 -193.983 -212.228 # jumping subtree containing (T0187)L60 jump= 0.0855907 0.545892 0.722872 -0.414888 -190.905 -86.4509 -406.041 # jumping subtree containing (T0187)L131 jump= -0.974851 0.0182463 -0.0264244 0.220532 24.4013 -31.1186 -6.08085 # generation 185: best score out of 40: T0187.try1-al10 70.5706 cost/residue, 354 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 84 ## TwoFragment 18 ## CrossOver 167 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2117 ## OptSubtree 2346 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.100006 0.826373 -0.0838205 -0.547796 -263.595 75.8084 -392.299 # jumping subtree containing (T0187)L138 jump= -0.229112 -0.157614 -0.749177 -0.601164 58.7707 198.526 -278.587 # jumping subtree containing (T0187)M1 jump= 0.390989 -0.186057 0.420162 0.79748 -56.4868 258.215 -126.778 # jumping subtree containing (T0187)F119 jump= -0.172065 -0.830261 -0.448609 0.282509 -129.133 -39.1583 -399.799 # jumping subtree containing (T0187)F119 jump= -0.891448 -0.0922432 0.384868 -0.220655 -162.839 -50.3955 -23.0154 # jumping subtree containing (T0187)D38 jump= -0.521881 -0.020338 -0.183927 0.832705 -54.5194 -54.2852 -16.8381 # jumping subtree containing (T0187)L60 jump= 0.174392 -0.521786 -0.134313 0.824188 -259.793 97.5931 -174.916 # jumping subtree containing (T0187)L138 jump= 0.991938 0.050563 -0.0882268 0.0756187 -21.3199 -12.5429 24.802 # jumping subtree containing (T0187)L149 jump= 0.970667 0.0160274 -0.0759129 0.227567 -21.0824 11.9515 -19.4693 # jumping subtree containing (T0187)L60 jump= 0.944853 0.289488 -0.098692 -0.117089 -49.3708 -134.021 -51.336 # jumping subtree containing (T0187)E106 jump= -0.328843 -0.434911 -0.0593225 0.836179 -253.596 -38.8143 -101.164 # jumping subtree containing (T0187)L32 jump= 0.351274 -0.651781 -0.49064 -0.459412 -38.2167 265.083 -226.632 # jumping subtree containing (T0187)L138 jump= 0.989861 -0.0418368 0.13561 -0.00588133 56.5568 17.4959 -43.2028 # generation 186: best score out of 40: T0187.try1-al10 70.5705 cost/residue, 354 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 84 ## TwoFragment 18 ## CrossOver 173 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2122 ## OptSubtree 2359 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P79 jump= -0.921268 -0.371167 -0.0641727 0.0968672 -15.3738 -170.897 -92.6599 # jumping subtree containing (T0187)L32 jump= -0.517936 0.536288 -0.406535 -0.528079 -35.2911 260.024 -270.995 # jumping subtree containing (T0187)K47 jump= -0.987394 -0.136475 -0.0177339 0.0781838 -6.90388 -65.2924 -6.876 # jumping subtree containing (T0187)M1 jump= 0.824679 -0.163081 -0.156519 -0.51847 -99.2523 77.5094 13.481 # jumping subtree containing (T0187)L149 jump= -0.67979 -0.595938 0.125903 -0.408524 59.5488 -177.192 -167.067 # jumping subtree containing (T0187)V69 jump= 0.733128 -0.0233065 -0.320655 -0.599299 -179.622 89.6132 -39.8322 # jumping subtree containing (T0187)L138 jump= -0.818248 0.523355 -0.237654 0.00949325 83.2505 173.547 -143.553 # Removing break before 41 # generation 187: best score out of 40: T0187.try1-al10 70.5557 cost/residue, 370 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 176 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2124 ## OptSubtree 2377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= -0.574839 0.55582 -0.323328 0.506047 155.687 59.5434 -175.884 # jumping subtree containing (T0187)F119 jump= 0.20106 0.184429 -0.395269 -0.877111 -176.188 165.599 -123.813 # jumping subtree containing (T0187)L105 jump= -0.808555 -0.480994 0.335948 0.0449731 -126.352 -153.801 -172.109 # jumping subtree containing (T0187)G61 jump= 0.309311 0.653932 -0.474973 -0.501099 -248.048 18.6426 -375.156 # Removing break before 68 # Removing break before 96 # jumping subtree containing (T0187)K17 jump= -0.442515 -0.38573 -0.30001 -0.751922 119.438 97.6659 -110.874 # Removing break before 68 # jumping subtree containing (T0187)V69 jump= -0.983759 -0.0304439 0.0480151 0.170253 -25.1877 -26.7887 -1.08497 # jumping subtree containing (T0187)L149 jump= -0.0679477 0.945116 0.208176 -0.242491 -109.816 74.2647 -430.338 # jumping subtree containing (T0187)G61 jump= 0.846031 0.518089 -0.0814017 -0.0958646 -57.4878 -202.862 -174.727 # Removing break moved up 3 to before 108 # Removing break before 96 # generation 188: best score out of 40: T0187.try1-al10 70.5557 cost/residue, 370 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 177 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2127 ## OptSubtree 2397 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # jumping subtree containing (T0187)P93 jump= 0.152958 0.916432 -0.205936 0.30716 140.222 -26.6273 -387.825 # jumping subtree containing (T0187)L138 jump= -0.667222 -0.21582 0.442865 -0.558666 -119.803 -146.606 -87.2483 # jumping subtree containing (T0187)I141 jump= -0.966477 -0.194034 -0.103906 0.132196 24.7745 -112.302 -60.9369 # jumping subtree containing (T0187)K54 jump= 0.0382563 0.0570341 -0.381151 0.921958 -91.1982 -139.749 -34.5953 # jumping subtree containing (T0187)E30 jump= -0.857791 0.0242378 -0.0295359 0.512577 -30.4372 -52.8203 9.26268 # jumping subtree containing (T0187)E130 jump= -0.579158 -0.516513 0.0587627 -0.627963 114.048 -86.6385 -103.1 # jumping subtree containing (T0187)L149 jump= -0.969189 0.235769 0.0540935 0.0464772 -45.7781 102.075 -18.8526 # Removing break moved up 3 to before 108 # generation 189: best score out of 40: T0187.try1-al10 70.5556 cost/residue, 370 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 181 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2138 ## OptSubtree 2418 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L32 jump= 0.932947 -0.18477 0.174308 0.255119 69.8676 146.945 -37.4534 # jumping subtree containing (T0187)L32 jump= -0.999985 -0.0011881 0.00432369 -0.00308868 -6.69195 22.6742 -11.1828 # jumping subtree containing (T0187)Q142 jump= 0.351481 -0.414354 0.832074 0.111464 89.2514 109.837 -416.113 # jumping subtree containing (T0187)L105 jump= -0.0296526 -0.63509 0.753688 0.166541 -46.8219 51.4657 -455.619 # jumping subtree containing (T0187)K34 jump= -0.996888 -0.0314761 -0.0689696 -0.0216163 15.1311 -7.42138 0.676522 # jumping subtree containing (T0187)L138 jump= 0.977136 -0.0650007 -0.185965 0.0799788 -68.7131 34.3445 13.3963 # jumping subtree containing (T0187)L149 jump= 0.156036 -0.0283508 -0.8587 -0.487323 -135.356 215.472 -331.149 # generation 190: best score out of 40: T0187.try1-al10 70.5556 cost/residue, 370 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 181 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2144 ## OptSubtree 2436 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V15 jump= 0.99064 0.0131881 0.122543 0.0586731 74.3252 -3.22327 -5.34192 # jumping subtree containing (T0187)L138 jump= 0.928318 0.180804 0.321979 0.0431732 125.16 -50.7929 -110.062 # jumping subtree containing (T0187)L138 jump= -0.0571158 -0.694575 -0.467563 -0.543772 128.692 144.997 -321.483 # jumping subtree containing (T0187)L105 jump= 0.000928045 0.3165 -0.48056 0.817856 46.9917 -130.115 -76.9651 # jumping subtree containing (T0187)L42 jump= 0.142468 0.400681 -0.311893 0.849635 66.2859 -77.382 -66.1283 # Removing break before 96 # jumping subtree containing (T0187)L105 jump= -0.623145 -0.622602 0.208887 0.424762 -225.656 -138.67 -254.53 # jumping subtree containing (T0187)L32 jump= -0.68979 -0.42704 0.438488 0.386722 -235.617 -90.2039 -173.927 # jumping subtree containing (T0187)V15 jump= -0.8855 -0.33324 0.144454 -0.289783 -13.9516 -112.625 -25.4587 # generation 191: best score out of 40: T0187.try1-al10 70.5556 cost/residue, 370 clashes 0.116247 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 182 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 127 ## JiggleSubtree 2153 ## OptSubtree 2450 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L42 jump= 0.441325 -0.645229 -0.328436 0.530134 -282.973 158.624 -230.69 # jumping subtree containing (T0187)L105 jump= -0.84473 0.311871 0.434387 0.0217975 -191.772 139.845 -53.704 # jumping subtree containing (T0187)E30 jump= -0.187222 0.765713 -0.60875 -0.0897553 10.6098 78.4981 -428.799 # jumping subtree containing (T0187)Q142 jump= -0.229523 0.779464 -0.488577 -0.317882 -58.9803 161.908 -431.774 # jumping subtree containing (T0187)V15 jump= 0.876503 0.0596978 0.392492 -0.272266 117.249 -72.5319 -115.079 # jumping subtree containing (T0187)L138 jump= -0.57747 -0.625376 -0.519133 -0.0770331 157.217 -98.9375 -332.599 # jumping subtree containing (T0187)L105 jump= -0.993579 -0.00925584 0.0767126 -0.0826505 -11.5167 -10.7309 -8.85383 # jumping subtree containing (T0187)L105 jump= 0.971028 0.201686 0.0473566 0.119098 36.5279 -60.0637 -13.9007 # jumping subtree containing (T0187)L149 jump= 0.547163 0.344052 0.668247 0.368358 159.284 60.9591 -286.185 # jumping subtree containing (T0187)L32 jump= 0.473039 -0.660325 0.176997 -0.555767 125.277 97.3603 -152.139 # generation 192: best score out of 40: T0187.try1-al10 70.5547 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 182 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2155 ## OptSubtree 2471 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L32 jump= 0.997797 0.0202075 0.0214197 0.0594452 8.5092 13.3656 -5.30786 # jumping subtree containing (T0187)V69 jump= -0.999542 0.00170482 -0.00236563 0.0301066 -5.27702 -0.326621 -1.35141 # jumping subtree containing (T0187)E106 jump= 0.996656 0.013171 0.00193407 0.0806192 8.2227 21.9438 -2.73829 # Removing break before 68 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)L149 jump= 0.238054 0.186517 0.760993 -0.573961 -82.2771 -215.81 -272.882 # jumping subtree containing (T0187)E106 jump= -0.99262 -0.0409344 0.0106593 0.113648 -1.12968 -20.464 -9.03674 # jumping subtree containing (T0187)E106 jump= -0.613124 0.467789 -0.517493 0.370747 181.416 8.33823 -179.465 # Removing break before 60 # Removing break before 96 # generation 193: best score out of 40: T0187.try1-al10 70.5547 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 186 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2161 ## OptSubtree 2485 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= -0.987029 0.0753001 -0.0161663 0.140865 13.8719 9.05341 -10.894 # jumping subtree containing (T0187)V15 jump= 0.160389 0.259742 0.943094 0.131843 -22.5686 96.2311 -441.194 # jumping subtree containing (T0187)L138 jump= -0.184413 0.659282 -0.599226 -0.415051 -101.961 159.052 -387.551 # jumping subtree containing (T0187)L111 jump= 0.266939 0.22045 0.92849 0.134356 49 36.2594 -414.096 # jumping subtree containing (T0187)L138 jump= -0.0289722 -0.996237 0.0118796 0.0808125 -62.7236 12.9969 -465.034 # jumping subtree containing (T0187)L105 jump= -0.979353 0.0455827 -0.142195 -0.136276 75.8527 28.8693 -27.0047 # jumping subtree containing (T0187)E106 jump= 0.999592 -0.00198344 0.0162159 -0.0234118 1.28526 -23.2771 -14.0286 # jumping subtree containing (T0187)E106 jump= -0.999736 -0.000859306 0.00916466 -0.0210584 -4.07975 -3.82863 19.3938 # jumping subtree containing (T0187)L138 jump= 0.847729 0.405307 -0.266765 -0.214285 -140.748 -134.907 -121.333 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)Q142 jump= 0.785116 0.00614711 -0.183152 0.591616 -70.1385 20.9759 4.98798 # generation 194: best score out of 40: T0187.try1-al10 70.5547 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 187 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2163 ## OptSubtree 2506 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.869683 0.264697 0.34638 0.231533 -134.692 128.148 -26.1516 # jumping subtree containing (T0187)L32 jump= -0.92347 0.329727 -0.0544854 0.188453 45.9262 129.807 -14.8558 # jumping subtree containing (T0187)L105 jump= -0.86757 0.441322 0.180148 0.141788 -44.9677 200.46 -53.1888 # jumping subtree containing (T0187)L105 jump= 0.798022 -0.426026 -0.403127 -0.13839 -157.433 197.046 -84.8202 # jumping subtree containing (T0187)L32 jump= -0.580225 0.103801 0.34776 -0.729128 -188.066 2.6193 -15.3323 # jumping subtree containing (T0187)V15 jump= -0.467408 0.841832 -0.180815 -0.200387 -42.4382 216.405 -342.423 # jumping subtree containing (T0187)L32 jump= 0.693614 0.112228 0.65152 0.286052 154.663 79.2261 -244.521 # jumping subtree containing (T0187)E106 jump= -0.849785 0.452919 0.240401 0.122219 -73.4905 208.496 -84.8605 # jumping subtree containing (T0187)L149 jump= 0.0150516 -0.0762237 0.662178 -0.745308 -71.542 -182.353 -147.591 # Removing break before 89 # generation 195: best score out of 40: T0187.try1-al10 70.5547 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 189 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2166 ## OptSubtree 2525 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # jumping subtree containing (T0187)L149 jump= -0.960963 -0.217378 0.0842733 0.148979 -41.8517 -107.802 -19.598 # jumping subtree containing (T0187)L149 jump= -0.869175 -0.252734 0.169968 0.389579 -168.304 -91.1306 -59.3596 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)G61 jump= -0.948898 -0.168638 0.261639 0.0519434 -104.786 -70.3051 -41.3694 # jumping subtree containing (T0187)I19 jump= -0.879274 -0.0446488 0.447073 -0.158143 -185.585 -23.1698 -37.7218 # jumping subtree containing (T0187)H90 jump= 0.380487 0.159967 0.445085 0.794695 81.7129 234.345 -149.344 # jumping subtree containing (T0187)E106 jump= -0.846221 -0.102093 -0.251041 0.458766 19.9366 -82.7265 -72.8094 # jumping subtree containing (T0187)K47 jump= -0.977197 0.0394217 -0.0521671 0.202015 21.4213 -30.9747 -8.35419 # jumping subtree containing (T0187)L149 jump= -0.403435 -0.695632 0.316877 -0.502916 71.6974 -165.208 -207.703 # Removing break before 68 # jumping subtree containing (T0187)E106 jump= -0.648512 -0.453605 0.585208 -0.176654 -128.917 -170.473 -241.691 # jumping subtree containing (T0187)E106 jump= 0.852835 0.485447 0.191315 0.0202986 70.4278 -177.518 -185.341 # jumping subtree containing (T0187)L32 jump= 0.00275543 0.0240146 -0.854427 -0.519009 -101.773 251.335 -382.9 # jumping subtree containing (T0187)G61 jump= -0.956491 -0.128232 0.164755 0.203806 -100.105 -53.8098 -22.8902 # Removing break before 96 # jumping subtree containing (T0187)L149 jump= 0.917489 0.0353038 0.226993 0.324717 89.645 56.5302 -36.5648 # Removing break before 89 # jumping subtree containing (T0187)L138 jump= 0.589151 0.298658 -0.691534 -0.292379 -248.974 13.2235 -258.82 # Removing break before 41 # jumping subtree containing (T0187)V68 jump= 0.9583 0.0114556 -0.24858 -0.140488 -134.589 14.7888 10.2362 # generation 196: best score out of 40: T0187.try1-al10 70.5547 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 195 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2169 ## OptSubtree 2540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)V69 jump= -0.912583 0.264895 -0.303151 0.0715616 137.21 110.261 -82.6184 # Removing break before 60 # jumping subtree containing (T0187)E106 jump= -0.959875 0.0130539 -0.213242 0.181652 75.2068 -40.7447 -23.3776 # jumping subtree containing (T0187)V15 jump= -0.91052 0.175017 -0.230996 0.294895 94.0719 2.97124 -49.5089 # jumping subtree containing (T0187)L138 jump= 0.325982 -0.0511519 -0.841345 0.428086 -188.818 -149.378 -272.57 # Removing break moved up 3 to before 108 # generation 197: best score out of 40: T0187.try1-al10 70.5547 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 201 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2170 ## OptSubtree 2557 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)L149 jump= 0.981668 -0.185169 -0.0117481 0.0436211 -0.858233 72.793 10.0767 # Removing break before 53 # jumping subtree containing (T0187)L149 jump= -0.251261 -0.589899 0.72605 0.248474 -195.949 9.0992 -427.87 # jumping subtree containing (T0187)L32 jump= 0.747251 -0.420841 0.486515 0.16677 121.573 171.736 -217.002 # Removing break before 68 # Removing break before 68 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)V69 jump= 0.617923 0.425286 0.531627 -0.39329 -14.0309 -177.452 -282.226 # generation 198: best score out of 40: T0187.try1-al10 70.5547 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 203 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2172 ## OptSubtree 2577 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D81 jump= 0.445849 0.796931 -0.354477 -0.201161 -161.099 -139.445 -357.085 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)Q142 jump= -0.248187 -0.628219 0.497993 -0.543826 61.8255 -181.009 -259.301 # jumping subtree containing (T0187)M1 jump= 0.379628 0.578205 -0.0400503 -0.721081 -231.715 -31.8133 -188.166 # jumping subtree containing (T0187)M1 jump= 0.830929 -0.200459 -0.0407098 -0.517412 -52.5919 58.748 -0.950889 # jumping subtree containing (T0187)H90 jump= 0.961333 -0.0960923 0.00084002 0.258079 4.01622 81.0992 0.179767 # Removing break before 68 # Removing break before 96 # jumping subtree containing (T0187)L138 jump= 0.0736281 0.91565 0.388028 0.0748251 7.34173 44.75 -461.904 # Removing break before 41 # jumping subtree containing (T0187)L149 jump= -0.370843 -0.139965 0.915457 -0.0694494 -212.838 -65.4459 -373.705 # jumping subtree containing (T0187)V15 jump= -0.186805 0.942598 -0.0821052 -0.264331 -106.532 132.49 -430.997 # jumping subtree containing (T0187)D38 jump= 0.993699 -0.00341719 -0.0878244 0.0695488 -12.771 15.8754 4.06383 # jumping subtree containing (T0187)L32 jump= -0.62805 0.305323 -0.204764 0.685859 75.4069 -18.9698 -41.5376 # generation 199: best score out of 40: T0187.try1-al10 70.5546 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 209 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2172 ## OptSubtree 2595 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.0302606 -0.337402 -0.274121 -0.900056 39.3622 167.535 -84.0872 # Removing break moved up 3 to before 108 # Removing break before 68 # jumping subtree containing (T0187)L138 jump= -0.142082 -0.567072 0.140649 0.799037 -288.246 27.9767 -189.201 # jumping subtree containing (T0187)L138 jump= 0.991505 0.0508657 0.0680592 -0.0984809 10.9696 -49.4818 -29.706 # jumping subtree containing (T0187)L149 jump= 0.987851 0.118679 -0.0822719 -0.0574278 -52.0877 -37.0011 -7.34898 # jumping subtree containing (T0187)Q142 jump= 0.465123 0.391314 0.47678 -0.634991 -99.8681 -185.38 -196.766 # jumping subtree containing (T0187)L149 jump= -0.988665 0.0980628 0.0101345 -0.113239 -21.4625 47.8878 -4.16673 # jumping subtree containing (T0187)V69 jump= -0.599529 -0.229164 0.636648 0.427467 -331.597 49.9495 -227.262 # generation 200: best score out of 40: T0187.try1-al10 70.5546 cost/residue, 373 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 59 ## InsertFragment 85 ## TwoFragment 18 ## CrossOver 210 ## CrossAndInsert 46 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 128 ## JiggleSubtree 2180 ## OptSubtree 2610 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_212506575.pdb -s /projects/compbio/tmp/to_scwrl_212506575.seq -o /projects/compbio/tmp/from_scwrl_212506575.pdb -a /projects/compbio/tmp/from_scwrl_212506575_a.pdb -b /projects/compbio/tmp/from_scwrl_212506575_b.pdb > /projects/compbio/tmp/scwrl_212506575.log # T0187.try1-al10-scwrl 69.4595 cost/residue 201 clashes 0.110373 breaks # filling super_pool to have at least 40 conformations # best score in super_pool out of 40: T0187.try1-al10-scwrl at pool[3] 69.4595 cost/residue, 201 clashes 0.110373 breaks # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # Removing break before 60 # generation 1: best score out of 40: T0187.try1-al10-scwrl 69.4595 cost/residue, 201 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 8 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 2 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 108 # Removing break before 96 # generation 2: best score out of 40: T0187.try1-al10-scwrl 69.4595 cost/residue, 201 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 9 ## TwoFragment 6 ## CrossOver 0 ## CrossAndInsert 3 ## ReduceClash 15 ## OneRotamer 0 ## ClashingRotamer 18 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 97 # generation 3: best score out of 40: T0187.try1-al10-scwrl 69.4595 cost/residue, 201 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 13 ## InsertFragment 14 ## TwoFragment 8 ## CrossOver 2 ## CrossAndInsert 4 ## ReduceClash 22 ## OneRotamer 0 ## ClashingRotamer 21 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 96 # generation 4: best score out of 40: T0187.try1-al10-scwrl 69.4595 cost/residue, 201 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 22 ## TwoFragment 10 ## CrossOver 3 ## CrossAndInsert 5 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 3 ## JiggleSubtree 4 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 97 # Removing break before 53 # generation 5: best score out of 40: T0187.try1-al10-scwrl 69.4595 cost/residue, 201 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 30 ## TwoFragment 10 ## CrossOver 3 ## CrossAndInsert 8 ## ReduceClash 37 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 4 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 108 # generation 6: best score out of 40: T0187.try1-al10-scwrl 69.4595 cost/residue, 201 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 15 ## InsertFragment 34 ## TwoFragment 10 ## CrossOver 5 ## CrossAndInsert 10 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 8 ## JiggleSubtree 7 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # generation 7: best score out of 40: T0187.try1-al10-scwrl 69.4595 cost/residue, 201 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 39 ## TwoFragment 10 ## CrossOver 7 ## CrossAndInsert 10 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 11 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break moved up 3 to before 108 # Removing break before 41 # generation 8: best score out of 40: T0187.try1-al10-scwrl 69.427 cost/residue, 205 clashes 0.109753 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 44 ## TwoFragment 10 ## CrossOver 7 ## CrossAndInsert 10 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 13 ## JiggleSubtree 20 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 53 # Removing break before 68 # Removing break before 68 # Removing break before 41 # Removing break before 89 # generation 9: best score out of 40: T0187.try1-al10-scwrl 69.2748 cost/residue, 210 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 16 ## InsertFragment 50 ## TwoFragment 11 ## CrossOver 8 ## CrossAndInsert 12 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 14 ## JiggleSubtree 25 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 96 # Removing break moved up 3 to before 108 # Removing break before 68 # Removing break before 68 # Removing break before 89 # Removing break before 96 # Removing break before 41 # generation 10: best score out of 40: T0187.try1-al10-scwrl 69.2748 cost/residue, 210 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 56 ## TwoFragment 11 ## CrossOver 11 ## CrossAndInsert 13 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 33 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= 0.842356 0.372951 0.388903 0.00995049 -11.2563 -21.8631 4.75805 # Removing break before 96 # Removing break before 41 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break before 41 # Removing break before 68 # generation 11: best score out of 40: T0187.try1-al10-scwrl 69.2748 cost/residue, 210 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 58 ## TwoFragment 11 ## CrossOver 18 ## CrossAndInsert 13 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 19 ## JiggleSubtree 40 ## OptSubtree 17 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 68 # jumping subtree containing (T0187)L138 jump= 0.88128 0.414429 0.121763 -0.191751 -12.3126 40.7033 1.43075 # jumping subtree containing (T0187)L149 jump= -0.214999 0.33595 0.602496 -0.691312 17.5593 16.7105 2.17049 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break before 60 # generation 12: best score out of 40: T0187.try1-al10-scwrl 69.24 cost/residue, 214 clashes 0.109754 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 60 ## TwoFragment 11 ## CrossOver 22 ## CrossAndInsert 13 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 47 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 68 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break before 96 # Removing break before 68 # generation 13: best score out of 40: T0187.try1-al10-scwrl 69.24 cost/residue, 214 clashes 0.109753 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 60 ## TwoFragment 11 ## CrossOver 27 ## CrossAndInsert 14 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 60 ## OptSubtree 29 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 108 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)H90 jump= -0.15412 -0.327084 -0.54807 -0.754243 -18.5719 35.775 -35.2391 # Removing break moved up 3 to before 108 # Removing break moved up 3 to before 108 # Removing break moved up 3 to before 108 # generation 14: best score out of 40: T0187.try1-al10-scwrl 69.0338 cost/residue, 221 clashes 0.110374 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 61 ## TwoFragment 11 ## CrossOver 29 ## CrossAndInsert 14 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 71 ## OptSubtree 38 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break before 68 # Removing break before 60 # Removing break before 68 # jumping subtree containing (T0187)L32 jump= 0.999535 0.0225928 -0.0105087 0.0175559 7.27388 22.9272 -1.54963 # Removing break before 68 # Removing break before 41 # Removing break before 68 # Removing break before 96 # jumping subtree containing (T0187)T97 jump= 0.421779 -0.893772 0.0775499 0.131378 10.0547 19.4268 11.6056 # Removing break before 68 # generation 15: best score out of 40: T0187.try1-al10-scwrl 69.0338 cost/residue, 221 clashes 0.110373 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 62 ## TwoFragment 11 ## CrossOver 31 ## CrossAndInsert 14 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 84 ## OptSubtree 48 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)L32 jump= -0.0437868 0.202467 -0.92537 -0.317458 70.75 32.9271 -75.4435 # Removing break before 53 # generation 16: best score out of 40: T0187.try1-al10-scwrl 68.9992 cost/residue, 225 clashes 0.109753 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 35 ## CrossAndInsert 14 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 98 ## OptSubtree 57 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L138 jump= -0.749046 0.313299 0.561303 0.160351 -56.5685 29.715 -30.1342 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break before 96 # Removing break before 68 # generation 17: best score out of 40: T0187.try1-al10-scwrl 68.9992 cost/residue, 225 clashes 0.109753 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 39 ## CrossAndInsert 14 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 110 ## OptSubtree 66 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)L42 jump= 0.849441 0.0367858 -0.0196668 0.526033 48.932 -12.7459 -9.54262 # Removing break moved up 3 to before 108 # generation 18: best score out of 40: T0187.try1-al10-scwrl 68.997 cost/residue, 225 clashes 0.109754 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 43 ## CrossAndInsert 14 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 127 ## OptSubtree 74 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.307155 0.00257344 0.0175805 -0.951494 10.3548 32.8671 18.0594 # jumping subtree containing (T0187)P24 jump= 0.0839358 -0.41695 0.399894 0.811906 19.2953 48.522 -21.6118 # Removing break before 96 # Removing break before 96 # Removing break before 68 # Removing break before 96 # Removing break before 68 # Removing break moved up 3 to before 108 # Removing break before 68 # jumping subtree containing (T0187)H90 jump= 0.411858 0.209018 -0.759129 -0.458702 45.9287 14.9224 -29.1617 # generation 19: best score out of 40: T0187.try1-al10-scwrl 68.9872 cost/residue, 224 clashes 0.109753 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 48 ## CrossAndInsert 14 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 141 ## OptSubtree 79 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G61 jump= 0.163969 -0.690428 -0.259437 0.655069 11.2211 74.7529 68.8017 # Removing break before 68 # jumping subtree containing (T0187)I85 jump= 0.343614 0.170476 -0.366323 -0.847747 60.52 67.4723 -26.6959 # Removing break before 53 # Removing break before 41 # generation 20: best score out of 40: T0187.try1-al10-scwrl 68.9615 cost/residue, 224 clashes 0.109884 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 49 ## CrossAndInsert 15 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 157 ## OptSubtree 91 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 68 # Removing break moved up 3 to before 108 # generation 21: best score out of 40: T0187.try1-al10-scwrl 68.9615 cost/residue, 224 clashes 0.109884 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 51 ## CrossAndInsert 15 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 173 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.999014 -0.0141772 0.00224068 -0.0420076 7.82427 -21.6348 9.06288 # jumping subtree containing (T0187)L131 jump= 0.991496 -0.05423 0.00911315 0.117951 0.787794 15.7128 -3.15074 # jumping subtree containing (T0187)E134 jump= 0.901032 -0.42907 -0.0369949 -0.0516964 -11.7289 35.187 -43.5482 # Removing break before 68 # generation 22: best score out of 40: T0187.try1-al10-scwrl 68.9442 cost/residue, 221 clashes 0.096334 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 185 ## OptSubtree 121 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 68 # Removing break before 41 # Removing break before 89 # Removing break moved up 3 to before 108 # jumping subtree containing (T0187)F129 jump= 0.149065 0.381673 0.851154 0.328089 122.085 -40.3742 -45.6965 # Removing break moved up 3 to before 108 # generation 23: best score out of 40: T0187.try1-al10-scwrl 68.9442 cost/residue, 221 clashes 0.096334 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 208 ## OptSubtree 127 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # generation 24: best score out of 40: T0187.try1-al10-scwrl 68.9432 cost/residue, 221 clashes 0.0963342 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 229 ## OptSubtree 137 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # Removing break before 96 # Removing break before 41 # Removing break before 96 # jumping subtree containing (T0187)I85 jump= 0.116487 0.289158 -0.427265 0.848683 95.25 -30.9655 -69.9979 # Removing break before 96 # generation 25: best score out of 40: T0187.try1-al10-scwrl 68.9431 cost/residue, 221 clashes 0.0963342 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 244 ## OptSubtree 150 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A44 jump= 0.992758 0.042188 0.0696506 -0.0883167 -15.2441 10.2451 29.3252 # jumping subtree containing (T0187)I85 jump= 0.845294 -0.245252 0.0796146 -0.467965 13.6468 67.4499 3.69411 # Removing break before 68 # jumping subtree containing (T0187)L131 jump= -0.656113 -0.478144 -0.413156 -0.412549 38.2745 -39.4001 -8.16915 # Removing break before 96 # Removing break before 96 # jumping subtree containing (T0187)F23 jump= 0.304169 0.891863 -0.334143 0.0202453 41.465 70.3056 -48.9446 # generation 26: best score out of 40: T0187.try1-al10-scwrl 68.9431 cost/residue, 221 clashes 0.096334 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 63 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 259 ## OptSubtree 163 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.969377 -0.0698186 0.171332 -0.161487 18.3963 16.3799 8.12598 # Removing break before 68 # Removing break before 31 # jumping subtree containing (T0187)L149 jump= 0.607761 -0.640398 0.459394 -0.097338 57.1906 81.4679 -3.79507 # Removing break before 68 # generation 27: best score out of 40: T0187.try1-al10-scwrl 68.9417 cost/residue, 224 clashes 0.0965159 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 64 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 275 ## OptSubtree 170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 96 # jumping subtree containing (T0187)L131 jump= -0.286974 0.458144 -0.00462552 -0.841266 104.582 -42.6519 47.446 # jumping subtree containing (T0187)T100 jump= 0.13596 0.340518 -0.760946 -0.535279 83.8747 84.858 -44.749 # jumping subtree containing (T0187)I85 jump= -0.675925 0.212602 0.558328 0.431503 51.7849 22.7782 -79.7449 # jumping subtree containing (T0187)A53 jump= 0.319929 0.58087 0.325625 0.673947 130.951 -13.8023 -92.2733 # generation 28: best score out of 40: T0187.try1-al10-scwrl 68.9417 cost/residue, 224 clashes 0.0965162 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 64 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 290 ## OptSubtree 179 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)P24 jump= -0.957772 0.286986 -0.0122258 0.0127487 -11.7112 30.8976 22.5616 # Removing break before 53 # generation 29: best score out of 40: T0187.try1-al10-scwrl 68.9416 cost/residue, 224 clashes 0.0965156 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 64 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 311 ## OptSubtree 190 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.693977 -0.286507 -0.620369 -0.22683 -62.7738 49.1241 -99.412 # jumping subtree containing (T0187)I85 jump= 0.6014 0.0798888 0.685512 0.402504 134.657 31.4489 -80.3799 # Removing break before 31 # jumping subtree containing (T0187)T100 jump= -0.798211 -0.551329 0.0852845 0.227204 -49.8774 -22.6318 -91.9783 # jumping subtree containing (T0187)I85 jump= 0.491042 -0.280013 -0.555572 -0.609762 -29.4302 129.276 -98.8464 # jumping subtree containing (T0187)L149 jump= 0.994708 -0.0805614 0.0542714 -0.0334713 -1.64339 -4.68976 10.7031 # jumping subtree containing (T0187)L131 jump= -0.70143 0.420643 -0.464329 -0.339786 66.0574 82.9331 -25.2636 # jumping subtree containing (T0187)V15 jump= 0.175835 0.206941 0.547958 0.791201 123.665 68.7077 -81.7063 # generation 30: best score out of 40: T0187.try1-al10-scwrl 68.9416 cost/residue, 224 clashes 0.0965155 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 64 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 326 ## OptSubtree 199 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 68 # generation 31: best score out of 40: T0187.try1-al10-scwrl 68.9414 cost/residue, 224 clashes 0.0965562 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 65 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 339 ## OptSubtree 209 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.948172 -0.134597 0.272834 -0.0917303 -42.4239 -14.867 -46.4639 # Removing break before 53 # Removing break before 120 # jumping subtree containing (T0187)I85 jump= 0.958964 -0.242173 0.00280257 0.147419 23.4639 36.169 36.1714 # jumping subtree containing (T0187)L131 jump= 0.59541 -0.287965 0.365337 0.655051 22.798 50.3588 -3.7258 # Removing break before 68 # Removing break before 31 # Removing break before 68 # Removing break before 120 # jumping subtree containing (T0187)L107 jump= -0.433519 -0.693175 0.280489 0.502887 -76.5868 41.2658 -110.754 # jumping subtree containing (T0187)L131 jump= -0.815478 0.329893 -0.457121 0.131175 79.0869 30.3 -3.20189 # Removing break before 89 # generation 32: best score out of 40: T0187.try1-al10-scwrl 68.9414 cost/residue, 224 clashes 0.0965564 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 65 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 353 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.366042 0.682599 0.632432 0.010085 37.2831 -27.8975 -155.03 # jumping subtree containing (T0187)L42 jump= 0.489639 0.453772 -0.197989 0.717736 109.164 -29.7306 -66.7725 # jumping subtree containing (T0187)L32 jump= -0.804665 -0.302106 -0.510818 0.0176448 60.8181 -35.0546 -63.9895 # Removing break before 68 # jumping subtree containing (T0187)T100 jump= -0.470208 -0.0170096 0.828068 -0.304826 1.32449 -31.2256 -117.472 # generation 33: best score out of 40: T0187.try1-al10-scwrl 68.9414 cost/residue, 224 clashes 0.0965564 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 65 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 371 ## OptSubtree 225 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 120 # Removing break before 31 # jumping subtree containing (T0187)I85 jump= 0.823423 -0.330532 0.339671 0.312003 32.5904 48.5355 11.4597 # Removing break before 68 # jumping subtree containing (T0187)I85 jump= -0.0574188 0.0766715 0.821214 0.562522 22.3937 118.657 -153.823 # jumping subtree containing (T0187)M1 jump= 0.953699 -0.222497 -0.180441 -0.0916229 -31.9733 43.7088 -5.35232 # jumping subtree containing (T0187)L32 jump= -0.920308 -0.301893 -0.199564 0.148551 30.5095 -32.6465 -13.5279 # generation 34: best score out of 40: T0187.try1-al10-scwrl 68.9414 cost/residue, 224 clashes 0.0965564 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 65 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 383 ## OptSubtree 239 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 120 # jumping subtree containing (T0187)L107 jump= -0.616803 -0.170252 0.697462 -0.322669 -10.9202 -56.4684 -162.822 # Removing break before 31 # jumping subtree containing (T0187)L149 jump= -0.903503 0.186764 0.101301 0.372209 -27.6126 58.2721 -12.7057 # jumping subtree containing (T0187)L107 jump= -0.430248 -0.865771 0.124718 0.223101 -39.5357 23.1039 -186.643 # Removing break before 120 # jumping subtree containing (T0187)I85 jump= 0.176685 0.679011 0.655128 -0.280238 -38.4196 -38.334 -157.609 # jumping subtree containing (T0187)L107 jump= -0.929638 0.140711 -0.00686929 -0.34048 21.8611 9.64664 -5.56252 # generation 35: best score out of 40: T0187.try1-al10-scwrl 68.9413 cost/residue, 224 clashes 0.0965566 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 65 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 396 ## OptSubtree 250 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.959437 -0.0137877 0.120982 -0.254271 5.67615 18.5842 16.5858 # Removing break before 53 # jumping subtree containing (T0187)L131 jump= -0.913727 0.0981479 -0.236052 0.315831 33.6979 20.4652 -23.9278 # Removing break before 31 # generation 36: best score out of 40: T0187.try1-al10-scwrl 68.9299 cost/residue, 223 clashes 0.0995697 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 406 ## OptSubtree 263 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.326635 0.00808019 -0.737446 -0.591115 115.602 60.901 -101.694 # Removing break before 120 # Removing break before 60 # jumping subtree containing (T0187)L107 jump= -0.981833 0.0771108 0.0413866 0.16836 -8.1109 -5.16942 8.75879 # jumping subtree containing (T0187)V136 jump= -0.170943 0.12429 -0.842372 -0.495722 54.2988 111.9 -145.495 # Removing break before 120 # jumping subtree containing (T0187)L107 jump= -0.999998 -0.000401166 -0.000246265 0.00215959 -11.0713 -17.4276 -15.933 # generation 37: best score out of 40: T0187.try1-al10-scwrl 68.9299 cost/residue, 223 clashes 0.0995697 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 419 ## OptSubtree 274 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.712786 -0.569243 -0.39679 0.102259 50.8625 -99.4729 -92.6222 # jumping subtree containing (T0187)V69 jump= -0.822311 -0.0675504 -0.524215 -0.210807 136.146 14.7481 -50.9224 # jumping subtree containing (T0187)V43 jump= -0.932407 0.0220239 0.259991 -0.250074 -38.2201 -22.2236 -26.3493 # jumping subtree containing (T0187)L149 jump= -0.999944 -0.000316469 0.00329115 -0.0100949 -14.316 -1.91226 -12.6563 # generation 38: best score out of 40: T0187.try1-al10-scwrl 68.9299 cost/residue, 223 clashes 0.0995692 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 445 ## OptSubtree 282 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.598296 -0.628348 -0.493801 0.058146 65.2804 -127.661 -127.251 # Removing break before 68 # jumping subtree containing (T0187)H90 jump= -0.628545 -0.623232 -0.38414 0.262583 48.7797 -122.873 -123.39 # Removing break before 68 # jumping subtree containing (T0187)L149 jump= -0.721966 0.668696 -0.0420271 0.172756 40.9509 142.143 -87.3558 # generation 39: best score out of 40: T0187.try1-al10-scwrl 68.9298 cost/residue, 223 clashes 0.0995693 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 464 ## OptSubtree 293 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)V43 jump= -0.219694 -0.907524 -0.0577833 -0.353264 73.7281 -71.5055 -213.195 # jumping subtree containing (T0187)V69 jump= 0.999944 0.00126834 -0.00262051 0.0102082 1.15034 7.05981 -13.0392 # Removing break before 89 # jumping subtree containing (T0187)V69 jump= -0.996821 -0.0543581 -0.034515 0.046921 21.8037 -10.5709 24.4088 # generation 40: best score out of 40: T0187.try1-al10-scwrl 68.9296 cost/residue, 223 clashes 0.0995696 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 475 ## OptSubtree 306 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.993187 -0.0388562 -0.108366 0.018047 -34.8896 5.05755 0.589963 # jumping subtree containing (T0187)L10 jump= -0.949577 -0.255343 0.0668721 0.16921 -21.4024 -49.7919 11.0084 # Removing break before 68 # jumping subtree containing (T0187)L149 jump= 0.979743 0.11286 0.16453 -0.0172261 16.5899 -17.9977 7.64953 # jumping subtree containing (T0187)M1 jump= 0.176521 -0.323428 -0.0733904 0.926741 -37.8365 12.5158 -14.6167 # jumping subtree containing (T0187)L107 jump= 0.437851 -0.727197 -0.528469 0.0138244 -22.4694 46.0781 -254.486 # jumping subtree containing (T0187)L131 jump= -0.508672 -0.0385597 -0.515473 -0.688516 184.742 64.2024 -25.0634 # jumping subtree containing (T0187)L149 jump= 0.618529 -0.628942 -0.167241 0.440323 -70.2138 25.6097 -98.8783 # generation 41: best score out of 40: T0187.try1-al10-scwrl 68.9295 cost/residue, 223 clashes 0.0995697 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 491 ## OptSubtree 314 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.994941 0.0212132 -0.0964082 0.0186379 20.1572 0.709396 -1.68852 # Removing break before 68 # jumping subtree containing (T0187)L138 jump= -0.879477 -0.351698 -0.195436 -0.254231 64.9888 -85.245 0.73737 # jumping subtree containing (T0187)M1 jump= -0.736453 -0.498745 0.116249 0.442014 -58.6073 -95.213 -42.3953 # jumping subtree containing (T0187)P24 jump= 0.210238 0.314118 -0.525956 0.761906 105.842 -155.259 -159.423 # jumping subtree containing (T0187)M1 jump= 0.785544 0.443815 -0.327235 0.280832 -20.621 -127.364 -72.7461 # jumping subtree containing (T0187)L131 jump= -0.720061 0.518453 0.160663 -0.432326 -92.1384 75.0241 -112.501 # jumping subtree containing (T0187)L42 jump= 0.0947423 0.0834306 -0.645303 -0.753424 67.5664 117.833 -87.4153 # generation 42: best score out of 40: T0187.try1-al10-scwrl 68.9295 cost/residue, 223 clashes 0.0995697 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 509 ## OptSubtree 320 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= -0.334992 0.438912 0.10891 -0.826605 -53.7829 -30.3239 -52.1976 # jumping subtree containing (T0187)L149 jump= -0.156221 -0.791638 -0.241545 0.539037 -80.3211 -73.3897 -152.391 # Removing break before 120 # Removing break before 31 # jumping subtree containing (T0187)P93 jump= -0.732717 0.612329 0.255546 0.151245 -8.95219 91.358 -104.13 # Removing break before 89 # jumping subtree containing (T0187)L107 jump= -0.675117 -0.403856 0.0160261 -0.617139 91.1759 -126.105 -81.9414 # generation 43: best score out of 40: T0187.try1-al10-scwrl 68.9295 cost/residue, 223 clashes 0.0995697 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 525 ## OptSubtree 328 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 120 # Removing break before 89 # jumping subtree containing (T0187)L131 jump= -0.966403 0.00750652 0.101689 0.23594 -13.0249 40.1445 -7.04415 # Removing break before 89 # jumping subtree containing (T0187)V43 jump= 0.984767 0.165166 0.0428781 -0.033415 19.3402 -52.5904 2.91955 # jumping subtree containing (T0187)H90 jump= 0.999952 -0.00211849 -0.00185736 -0.00937241 9.82712 18.9074 14.2655 # jumping subtree containing (T0187)L131 jump= 0.630994 0.172126 0.529467 -0.540263 201.127 -104.34 -24.9588 # jumping subtree containing (T0187)L131 jump= 0.685119 0.320742 0.245477 -0.606199 44.0634 -75.6786 -25.4464 # generation 44: best score out of 40: T0187.try1-al10-scwrl 68.9294 cost/residue, 223 clashes 0.0995698 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 538 ## OptSubtree 339 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)L131 jump= 0.922501 0.138026 0.350098 -0.0858676 119.467 -46.0918 9.82459 # jumping subtree containing (T0187)M1 jump= -0.703522 -0.560715 0.154207 0.408503 -46.0488 -60.7078 -75.1316 # Removing break before 68 # jumping subtree containing (T0187)L107 jump= 0.499825 0.813217 -0.207546 0.213954 43.6128 -104.341 -251.667 # jumping subtree containing (T0187)L107 jump= 0.536012 0.494786 -0.225776 -0.645681 -114.796 -37.4049 -39.0888 # jumping subtree containing (T0187)P24 jump= -0.752241 -0.371485 0.409142 0.358797 -133.984 7.98974 -151.659 # generation 45: best score out of 40: T0187.try1-al10-scwrl 68.9294 cost/residue, 223 clashes 0.0995698 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 53 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 550 ## OptSubtree 351 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # Removing break before 53 # Removing break before 68 # Removing break before 60 # jumping subtree containing (T0187)P24 jump= -0.48021 -0.0037553 0.863523 -0.15399 -91.5782 -55.9862 -296.343 # jumping subtree containing (T0187)P24 jump= -0.795279 -0.205669 0.0932268 -0.562619 79.0566 -134.625 -51.5328 # jumping subtree containing (T0187)L107 jump= -0.231326 -0.722742 -0.329461 0.561772 -48.0435 -165.082 -158.593 # Removing break before 60 # Removing break before 68 # generation 46: best score out of 40: T0187.try1-al10-scwrl 68.9294 cost/residue, 223 clashes 0.0995698 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 54 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 566 ## OptSubtree 358 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= 0.391516 -0.693331 -0.318953 0.514078 -148.604 -14.9407 -165.066 # Removing break before 68 # jumping subtree containing (T0187)L131 jump= 0.622257 -0.353726 0.355613 0.60101 76.1429 122.7 -30.6561 # Removing break before 68 # generation 47: best score out of 40: T0187.try1-al10-scwrl 68.9293 cost/residue, 223 clashes 0.0995696 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 54 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 580 ## OptSubtree 368 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.514115 0.255376 0.7273 -0.37617 204.545 -134.33 -92.5663 # jumping subtree containing (T0187)G135 jump= 0.633992 -0.151991 0.644587 0.399326 190.353 69.8428 -49.4668 # Removing break before 120 # generation 48: best score out of 40: T0187.try1-al10-scwrl 68.929 cost/residue, 223 clashes 0.0995698 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 55 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 594 ## OptSubtree 377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.817195 -0.158043 -0.456357 0.314569 -84.7637 -77.8461 -170.526 # jumping subtree containing (T0187)S137 jump= -0.340813 -0.109146 -0.917598 -0.173052 220.311 29.3199 -340.5 # jumping subtree containing (T0187)L131 jump= -0.532399 0.689898 -0.404023 0.278134 168.332 153.389 -227.971 # jumping subtree containing (T0187)L42 jump= 0.143336 -0.778374 0.609157 0.0501531 46.0732 90.0183 -320.159 # jumping subtree containing (T0187)P24 jump= 0.997032 -0.0231469 -0.0633901 0.0370648 -13.4508 7.13673 10.3973 # generation 49: best score out of 40: T0187.try1-al10-scwrl 68.929 cost/residue, 223 clashes 0.0995698 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 609 ## OptSubtree 385 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A27 jump= -0.880894 0.212802 -0.414831 0.0815873 144.624 97.3711 -36.4188 # jumping subtree containing (T0187)V43 jump= 0.994938 0.0343028 0.0564807 -0.0757104 38.1786 9.55759 18.6615 # jumping subtree containing (T0187)L131 jump= 0.358695 -0.729727 -0.55162 0.185879 -15.0552 -95.7667 -361.833 # jumping subtree containing (T0187)N36 jump= 0.652084 -0.332834 0.661517 0.16249 220.252 110.521 -107.957 # jumping subtree containing (T0187)L121 jump= -0.998243 0.0177505 -0.0291112 0.0484563 0.280758 24.2356 -16.5771 # jumping subtree containing (T0187)P24 jump= 0.85952 -0.503929 -0.0451814 -0.0723891 -14.005 144.697 -115.408 # jumping subtree containing (T0187)P24 jump= 0.571791 0.508665 -0.566289 -0.305993 -89.4377 42.6734 -237.187 # jumping subtree containing (T0187)L131 jump= 0.913987 0.188085 0.0182344 0.359054 38.7673 -76.8238 -22.7518 # jumping subtree containing (T0187)P24 jump= 0.506127 0.411917 -0.219861 0.725135 170.492 -157.837 -138.087 # jumping subtree containing (T0187)M1 jump= -0.932387 -0.358708 0.0418307 -0.0152731 8.53196 -108.751 -55.4361 # generation 50: best score out of 40: T0187.try1-al10-scwrl 68.9289 cost/residue, 223 clashes 0.0995691 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 620 ## OptSubtree 398 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V43 jump= 0.398362 -0.776421 -0.455603 -0.175793 19.1259 152.076 -366.407 # jumping subtree containing (T0187)L131 jump= -0.967095 -0.218706 0.0602598 -0.115172 -26.8599 -88.1678 -46.1066 # jumping subtree containing (T0187)L32 jump= -0.976347 0.0253868 0.181405 -0.114869 -79.4267 -13.5489 -41.3219 # jumping subtree containing (T0187)P24 jump= 0.996696 -0.0648658 -0.00855419 0.048124 -7.54139 27.2698 -18.5411 # jumping subtree containing (T0187)L131 jump= -0.948367 -0.0925429 -0.0742871 0.294139 52.2558 -4.83405 5.41303 # jumping subtree containing (T0187)G61 jump= 0.626988 0.41157 0.418417 -0.512274 128.665 -153.165 -53.1264 # jumping subtree containing (T0187)L121 jump= 0.946767 0.0110967 0.309637 0.0873716 106.893 -18.3765 0.160804 # Removing break before 68 # jumping subtree containing (T0187)V43 jump= -0.940564 0.182041 -0.136812 -0.251958 39.9789 31.3543 37.7677 # jumping subtree containing (T0187)L148 jump= 0.562766 0.0112538 -0.821697 0.0893371 -48.3854 -21.718 -360.521 # generation 51: best score out of 40: T0187.try1-al10-scwrl 68.9287 cost/residue, 223 clashes 0.09957 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 629 ## OptSubtree 413 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.996403 -0.0138316 -0.0774485 0.0314824 -55.3652 4.80541 -3.88015 # Removing break before 68 # jumping subtree containing (T0187)H90 jump= 0.501396 -0.560432 0.00168591 0.659178 -55.224 67.7328 -28.7092 # jumping subtree containing (T0187)L107 jump= 0.897046 0.192079 -0.362879 0.163501 -79.0383 -104.972 -122.532 # jumping subtree containing (T0187)L131 jump= 0.930091 0.0352269 0.280195 -0.234907 113.942 -18.6202 11.1664 # generation 52: best score out of 40: T0187.try1-al10-scwrl 68.9287 cost/residue, 223 clashes 0.09957 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 641 ## OptSubtree 425 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)V117 jump= 0.176006 -0.668326 -0.18886 -0.697635 255.794 93.6645 -284.554 # jumping subtree containing (T0187)T97 jump= -0.997552 0.0292434 -0.0353447 -0.0527781 13.6035 2.09473 -22.6674 # jumping subtree containing (T0187)L131 jump= -0.891039 0.141838 0.374059 -0.214503 -107.666 -8.24706 -105.219 # jumping subtree containing (T0187)L131 jump= 0.88946 0.388632 -0.0421293 -0.23675 -44.1852 -99.5583 -45.2082 # jumping subtree containing (T0187)L121 jump= -0.948685 -0.120188 0.291857 0.0192826 -113.418 -31.4753 -97.899 # Removing break before 68 # Removing break before 60 # Removing break before 31 # jumping subtree containing (T0187)L131 jump= 0.997229 0.00027386 0.0564357 -0.0484773 -2.16809 -5.53632 -5.28787 # jumping subtree containing (T0187)T100 jump= 0.992051 0.0234429 -0.0907378 -0.0839707 -23.5509 15.6239 -40.3294 # jumping subtree containing (T0187)T100 jump= 0.763863 0.205166 0.488961 -0.367884 180.364 -96.6083 -57.6151 # jumping subtree containing (T0187)V43 jump= 0.987077 0.00900198 0.159793 -0.00798122 76.3813 -5.39446 20.6509 # jumping subtree containing (T0187)V43 jump= 0.74379 -0.47308 -0.0251745 0.471527 -60.5604 88.5106 -38.3299 # generation 53: best score out of 40: T0187.try1-al10-scwrl 68.9284 cost/residue, 223 clashes 0.0995695 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 653 ## OptSubtree 437 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.960949 0.219023 0.16483 0.037913 49.2052 -78.7521 -18.9721 # jumping subtree containing (T0187)P24 jump= 0.922276 -0.0251417 0.230847 -0.309005 96.6028 46.4829 2.01532 # jumping subtree containing (T0187)P24 jump= -0.822367 0.468044 -8.04731e-05 0.323491 57.0934 197.427 -94.0348 # jumping subtree containing (T0187)L131 jump= 0.765525 -0.391644 -0.441931 -0.255508 -62.531 154.709 -226.672 # jumping subtree containing (T0187)L131 jump= 0.112755 -0.616148 0.53781 -0.564276 240.411 -34.0801 -305.224 # Removing break before 68 # jumping subtree containing (T0187)F23 jump= -0.0731586 0.835892 -0.422044 -0.343237 -86.9301 132.326 -337.742 # generation 54: best score out of 40: T0187.try1-al10-scwrl 68.9282 cost/residue, 223 clashes 0.0995695 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 667 ## OptSubtree 447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.724193 0.243002 0.551381 -0.335371 184.524 -120.988 -75.588 # jumping subtree containing (T0187)T100 jump= -0.0907221 0.592802 -0.798659 -0.0499839 151.201 125.455 -402.054 # jumping subtree containing (T0187)T100 jump= -0.239659 -0.463786 0.790489 0.320301 -36.1888 154.179 -382.939 # Removing break before 68 # Removing break before 120 # jumping subtree containing (T0187)L32 jump= -0.224726 -0.708342 -0.319613 -0.587875 248.66 -37.9156 -271.387 # jumping subtree containing (T0187)L131 jump= -0.679489 0.61551 0.137041 0.37505 70.2147 204.543 -191.66 # jumping subtree containing (T0187)V69 jump= 0.914251 -0.26002 -0.286489 0.120245 -134.438 89.6771 -60.6 # Removing break before 31 # generation 55: best score out of 40: T0187.try1-al10-scwrl 68.9282 cost/residue, 223 clashes 0.0995695 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 679 ## OptSubtree 459 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.421649 0.117916 -0.80259 0.405163 -45.9244 -141.726 -311.156 # jumping subtree containing (T0187)V117 jump= -0.87191 -0.114077 0.348476 -0.324537 -98.0058 -140.954 -86.4571 # jumping subtree containing (T0187)L131 jump= 0.67512 0.201356 0.49213 -0.511348 143.044 -138.051 -68.4015 # jumping subtree containing (T0187)L35 jump= -0.00838222 -0.61617 0.510912 -0.599361 255.727 -46.4128 -327.043 # jumping subtree containing (T0187)N36 jump= 0.357884 0.0029573 0.454185 -0.815859 209.421 -101.119 -61.5712 # generation 56: best score out of 40: T0187.try1-al10-scwrl 68.9282 cost/residue, 223 clashes 0.0995695 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 688 ## OptSubtree 474 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)V69 jump= -0.469041 0.691429 0.110244 0.538305 131.003 233.507 -257.108 # jumping subtree containing (T0187)K54 jump= 0.675483 0.636788 -0.352719 0.117531 -52.6821 -178.976 -254.089 # jumping subtree containing (T0187)L131 jump= 0.408167 -0.254115 0.248597 0.840847 88.0685 147.145 -30.2806 # jumping subtree containing (T0187)V69 jump= -0.742652 -0.21038 -0.0631151 -0.632633 150.245 -74.3512 -25.9194 # generation 57: best score out of 40: T0187.try1-al10-scwrl 68.9281 cost/residue, 223 clashes 0.0995697 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 698 ## OptSubtree 488 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 31 # jumping subtree containing (T0187)L131 jump= -0.308581 -0.856931 0.209754 -0.355598 171.857 -101.124 -433.931 # jumping subtree containing (T0187)L131 jump= -0.369 0.366314 -0.852631 -0.0517092 222.297 137.288 -335.161 # jumping subtree containing (T0187)L131 jump= 0.875663 -0.168718 0.452461 0.00519025 222.103 74.9629 -72.0425 # jumping subtree containing (T0187)L131 jump= -0.544326 0.346232 -0.572092 0.506501 316.931 39.6179 -167.722 # jumping subtree containing (T0187)L131 jump= 0.610551 0.680303 -0.365047 -0.17651 -98.3906 -38.1406 -274.321 # jumping subtree containing (T0187)L131 jump= -0.00962157 0.829505 0.313468 -0.462132 -121.604 -51.4247 -299.102 # jumping subtree containing (T0187)V69 jump= 0.75457 -0.605145 -0.0601669 -0.246583 24.7994 292.108 -162.902 # jumping subtree containing (T0187)V69 jump= -0.642739 -0.687581 0.280752 -0.187877 2.85512 -171.16 -262.727 # jumping subtree containing (T0187)V69 jump= 0.986396 -0.00499535 -0.0432182 0.158524 -12.1264 -35.4 -18.6592 # Removing break before 120 # generation 58: best score out of 40: T0187.try1-al10-scwrl 68.9119 cost/residue, 222 clashes 0.0982461 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 704 ## OptSubtree 505 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.739987 -0.24228 -0.491949 0.389494 157.391 -142.322 -71.9499 # jumping subtree containing (T0187)T100 jump= 0.103337 -0.962385 0.212003 0.134873 -14.3322 147.933 -411.393 # Removing break before 53 # jumping subtree containing (T0187)T97 jump= -0.036815 -0.277534 0.411078 0.867545 85.8596 197.734 -70.4188 # jumping subtree containing (T0187)V68 jump= 0.990304 0.129599 0.029368 -0.0405031 22.9549 -31.2011 -24.4722 # generation 59: best score out of 40: T0187.try1-al10-scwrl 68.9119 cost/residue, 222 clashes 0.0982461 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 716 ## OptSubtree 517 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N36 jump= 0.306145 -0.680604 0.630211 -0.214215 233.657 137.432 -344.545 # jumping subtree containing (T0187)L107 jump= 0.999995 -0.0029485 0.000421134 0.000706525 8.60963 19.4176 7.21956 # jumping subtree containing (T0187)M1 jump= -0.563488 0.496534 -0.489166 0.443453 263.495 126.216 -173.987 # Removing break before 120 # jumping subtree containing (T0187)L131 jump= 0.131275 0.967919 -0.146902 0.155949 77.3915 -7.58544 -452.053 # jumping subtree containing (T0187)V136 jump= 0.967309 -0.156185 -0.188515 -0.0661892 -68.7007 85.2982 -40.9242 # jumping subtree containing (T0187)V43 jump= 0.112855 0.774038 -0.439999 0.441055 217.289 -63.6271 -399.271 # jumping subtree containing (T0187)P24 jump= 0.766522 -0.072706 -0.451443 0.450951 -61.9511 -147.448 -137.217 # jumping subtree containing (T0187)P24 jump= -0.82245 0.385921 -0.173836 -0.380028 42.9125 111.803 2.48246 # Removing break before 68 # generation 60: best score out of 40: T0187.try1-al10-scwrl 68.9119 cost/residue, 222 clashes 0.0982461 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 736 ## OptSubtree 532 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.178071 -0.476642 0.72191 0.468988 94.8631 254.741 -294.509 # Removing break before 120 # Removing break before 68 # jumping subtree containing (T0187)L131 jump= -0.197468 0.943218 -0.266547 -0.0172855 9.68612 73.408 -349.171 # jumping subtree containing (T0187)L149 jump= -0.0696068 -0.946002 -0.226151 -0.221563 118.778 2.10603 -440.764 # jumping subtree containing (T0187)L131 jump= -0.058048 -0.674532 0.0498692 -0.734269 283.418 18.774 -288.722 # jumping subtree containing (T0187)P24 jump= 0.794173 -0.392095 0.422504 0.192463 210.112 208.318 -49.4192 # jumping subtree containing (T0187)G89 jump= 0.611608 0.245887 -0.651972 0.374709 -0.341038 -172.349 -307.137 # jumping subtree containing (T0187)P93 jump= 0.962971 0.0879008 -0.193407 0.165993 -38.3247 -98.5834 -49.2861 # jumping subtree containing (T0187)P24 jump= -0.927913 0.207331 -0.137416 0.277683 68.6407 113.042 -0.726618 # generation 61: best score out of 40: T0187.try1-al10-scwrl 68.9113 cost/residue, 222 clashes 0.098246 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 56 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 747 ## OptSubtree 545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 120 # jumping subtree containing (T0187)P24 jump= -0.858311 0.130844 0.292456 0.400814 -54.2172 182.506 -128.435 # jumping subtree containing (T0187)N36 jump= 0.960419 0.154675 0.23041 0.0241329 90.4015 -90.674 -14.1355 # jumping subtree containing (T0187)V43 jump= 0.121173 0.341805 -0.81418 0.453428 167.898 -145.339 -370.884 # jumping subtree containing (T0187)L131 jump= 0.0797291 -0.834376 -0.382791 -0.3885 136.543 97.5662 -425.437 # jumping subtree containing (T0187)V69 jump= 0.934786 0.30887 -0.126694 -0.121336 -88.3755 -75.612 -89.5043 # jumping subtree containing (T0187)P24 jump= 0.877536 0.0153605 -0.470487 0.0913053 -131.693 -52.0702 -189.904 # generation 62: best score out of 40: T0187.try1-al10-scwrl 68.9113 cost/residue, 222 clashes 0.098246 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 58 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 759 ## OptSubtree 555 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.911881 0.0940334 0.389259 0.0900419 169.557 -43.1449 -18.1804 # jumping subtree containing (T0187)F2 jump= 0.874717 -0.195333 0.0760071 0.436964 63.4116 2.71255 54.0821 # jumping subtree containing (T0187)T97 jump= -0.156044 0.85482 -0.104013 0.483854 246.876 79.8333 -400.931 # jumping subtree containing (T0187)G61 jump= 0.989272 0.0431988 0.0855484 -0.110259 39.0531 -20.9724 -3.55074 # jumping subtree containing (T0187)H90 jump= 0.728516 0.618149 -0.0882052 0.281736 69.4008 -201.843 -219.768 # jumping subtree containing (T0187)L107 jump= -0.785963 0.532951 0.249537 0.189624 -46.3454 192.692 -172.336 # Removing break before 60 # jumping subtree containing (T0187)T97 jump= 0.999456 0.00615797 0.0323408 0.00207173 24.5853 -18.7994 21.6313 # Removing break before 68 # jumping subtree containing (T0187)L149 jump= 0.739783 0.222963 0.605283 -0.191419 252.538 -139.525 -135.882 # generation 63: best score out of 40: T0187.try1-al10-scwrl 68.9105 cost/residue, 222 clashes 0.0982462 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 60 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 771 ## OptSubtree 565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= 0.816318 0.265758 0.501961 0.105033 234.032 -131.707 -80.9798 # jumping subtree containing (T0187)V136 jump= 0.157493 -0.837247 0.45471 -0.259716 216.412 106.747 -435.748 # Removing break before 89 # jumping subtree containing (T0187)P24 jump= -0.980186 -0.140926 0.0985393 0.0983119 -40.2752 -54.6074 -26.1158 # jumping subtree containing (T0187)H90 jump= 0.100819 0.529057 0.133961 0.831858 373.176 30.7678 -227.419 # Removing break before 68 # generation 64: best score out of 40: T0187.try1-al10-scwrl 68.9105 cost/residue, 222 clashes 0.0982462 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 61 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 783 ## OptSubtree 576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V117 jump= -0.441235 -0.722592 0.277409 0.45411 -155.468 56.6227 -251.03 # jumping subtree containing (T0187)L107 jump= 0.0264931 -0.547669 0.77724 0.308632 60.3451 208.591 -425.62 # jumping subtree containing (T0187)V117 jump= -0.798504 0.190874 -0.527817 0.217639 251.448 63.7752 -23.241 # jumping subtree containing (T0187)P24 jump= 0.982605 0.0808155 0.0666139 0.153357 65.1248 -52.3009 -1.76478 # Removing break before 60 # jumping subtree containing (T0187)H90 jump= 0.580271 -0.296739 -0.590421 -0.476062 5.65771 224.815 -318.794 # jumping subtree containing (T0187)V117 jump= 0.869134 -0.0185926 -0.406068 0.281726 -104.426 -50.0131 -110.593 # generation 65: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 62 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 793 ## OptSubtree 589 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.31174 0.933835 -0.167122 -0.0533065 5.01431 196.987 -436.213 # Removing break before 68 # jumping subtree containing (T0187)L131 jump= 0.700478 -0.13521 0.289796 0.638018 159.502 98.1725 5.72916 # jumping subtree containing (T0187)V136 jump= 0.431815 -0.0376358 -0.357817 -0.827095 54.37 277.222 -149.487 # jumping subtree containing (T0187)M1 jump= -0.988041 -0.111117 0.0831398 -0.067206 -59.1471 -57.3204 -13.3655 # generation 66: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 63 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 804 ## OptSubtree 601 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L121 jump= -0.636009 -0.360426 -0.570011 0.375064 186.939 -178.414 -114.015 # jumping subtree containing (T0187)L131 jump= -0.567698 0.265089 0.0211657 0.779102 177.04 165.65 -90.503 # jumping subtree containing (T0187)P24 jump= -0.307255 -0.906581 -0.199198 -0.209823 126.953 -142.709 -509.52 # jumping subtree containing (T0187)L131 jump= 0.733494 0.572705 -0.218117 0.293973 38.3901 -206.013 -219.381 # jumping subtree containing (T0187)L131 jump= -0.998285 0.00916465 0.057705 -0.0035658 -42.8635 -1.96855 -2.24278 # jumping subtree containing (T0187)L131 jump= 0.368147 -0.703618 0.607191 -0.0266148 174.198 207.951 -426.942 # jumping subtree containing (T0187)V117 jump= 0.995958 -0.0511999 0.0074429 -0.0734173 0.50905 23.2978 -5.48026 # Removing break before 120 # jumping subtree containing (T0187)L107 jump= -0.911267 0.382397 -0.0172529 0.15188 47.5968 181.537 -40.4205 # jumping subtree containing (T0187)L131 jump= 0.987579 0.0071526 0.155715 0.0197574 73.0972 -5.7512 15.6141 # generation 67: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 64 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 812 ## OptSubtree 616 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 89 # jumping subtree containing (T0187)N36 jump= -0.607437 0.0295456 0.792568 0.0445498 -113.851 33.2203 -420.08 # jumping subtree containing (T0187)P24 jump= 0.982714 0.167661 -0.0639466 -0.0455314 -34.2367 -96.8387 -23.711 # jumping subtree containing (T0187)V68 jump= 0.901149 -0.201403 0.259967 0.282463 146.291 73.8757 24.003 # jumping subtree containing (T0187)T97 jump= -0.460994 0.441874 0.220736 -0.73723 -72.2315 -82.1334 -68.6802 # jumping subtree containing (T0187)V117 jump= -0.998856 0.0410444 -0.0245297 -0.000895743 -10.7995 12.6295 22.335 # jumping subtree containing (T0187)A55 jump= 0.98412 -0.0293373 0.0909466 -0.149589 26.1708 34.0542 14.8655 # jumping subtree containing (T0187)P24 jump= -0.76803 -0.157044 -0.253851 0.566592 79.1514 -76.7252 4.75818 # jumping subtree containing (T0187)V43 jump= -0.990292 -0.0121282 0.125947 -0.0575582 -47.2026 -15.1576 -25.2521 # Removing break before 68 # generation 68: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 66 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 822 ## OptSubtree 628 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.950618 -0.184337 0.235864 0.0819418 137.658 109.375 -23.596 # jumping subtree containing (T0187)Y57 jump= 0.535799 -0.7411 -0.366526 0.171314 -128.03 104.874 -271.333 # jumping subtree containing (T0187)T97 jump= -0.206922 0.317348 0.287433 0.879691 285.325 168.648 -183.131 # jumping subtree containing (T0187)L131 jump= 0.534396 -0.369748 0.222472 0.726783 66.7732 144.458 -26.1722 # jumping subtree containing (T0187)L131 jump= -0.11184 0.12027 -0.849456 -0.50145 139.878 221.796 -380.108 # Removing break before 89 # Removing break before 60 # jumping subtree containing (T0187)V117 jump= -0.823706 -0.248128 0.507377 -0.0500968 -164.063 -112.25 -222.408 # generation 69: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 67 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 827 ## OptSubtree 646 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.724834 0.214083 0.124337 0.642903 193.262 -85.3255 -59.9503 # jumping subtree containing (T0187)P24 jump= -0.281665 -0.932014 -0.0278265 -0.226362 127.526 -168.401 -472.5 # Removing break before 120 # jumping subtree containing (T0187)P24 jump= 0.993947 0.0523895 0.0329433 -0.0907742 -8.86601 -21.1597 -13.1164 # jumping subtree containing (T0187)L131 jump= -0.0818191 -0.502286 0.629266 0.5874 13.3434 183.652 -197.337 # jumping subtree containing (T0187)V117 jump= -0.983149 0.147112 -0.029644 -0.10439 20.0524 34.0286 -19.4725 # jumping subtree containing (T0187)P24 jump= -0.157175 0.834207 -0.462218 0.256416 224.895 140.302 -489.157 # generation 70: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 68 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 832 ## OptSubtree 664 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.962289 -0.0688951 0.0613021 -0.255922 27.3028 78.1399 23.4446 # jumping subtree containing (T0187)P24 jump= 0.985309 -0.00866679 0.141527 0.0951852 77.9054 -10.8751 -3.53494 # jumping subtree containing (T0187)G61 jump= -0.70351 0.280357 -0.650219 -0.0607357 300.836 158.697 -158.584 # Removing break before 120 # jumping subtree containing (T0187)V117 jump= 0.960043 -0.272634 0.0324408 0.0541753 3.14567 100.07 -16.1223 # generation 71: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 69 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 839 ## OptSubtree 680 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= -0.164891 -0.840798 0.388165 -0.339406 194.759 -39.276 -527.718 # jumping subtree containing (T0187)P24 jump= 0.0838221 -0.41961 0.200371 -0.881336 353.761 14.539 -167.442 # jumping subtree containing (T0187)P24 jump= 0.767968 -0.435754 -0.148637 -0.445253 62.4128 260.376 -133.949 # generation 72: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 69 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 848 ## OptSubtree 695 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= 0.557486 -0.240131 -0.326825 0.724384 -59.5196 -106.983 -77.7682 # jumping subtree containing (T0187)L131 jump= 0.84995 -0.175912 -0.438892 0.232406 -157.072 -12.8532 -163.471 # jumping subtree containing (T0187)V43 jump= 0.999927 0.00387838 0.000311077 -0.0114479 -21.0296 -1.92366 -10.1957 # Removing break before 120 # Removing break before 68 # jumping subtree containing (T0187)V117 jump= -0.0894523 0.724032 0.671079 -0.132019 -19.9639 -98.7364 -453.956 # generation 73: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 69 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 862 ## OptSubtree 705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D82 jump= -0.966462 0.131826 -0.196751 -0.0993053 107.946 51.4991 8.48424 # jumping subtree containing (T0187)P24 jump= -0.99902 -0.0427556 -0.00437961 0.010575 2.78362 4.68198 -10.5609 # jumping subtree containing (T0187)T100 jump= -0.83543 -0.195559 -0.495011 0.137032 273.484 -126.042 -81.7841 # jumping subtree containing (T0187)L42 jump= 0.649375 -0.197971 0.198027 0.70704 118.658 88.9749 0.467284 # jumping subtree containing (T0187)E113 jump= -0.892947 -0.299922 0.296311 0.157773 -122.976 -77.5076 -138.589 # jumping subtree containing (T0187)L131 jump= 0.0840193 -0.938967 0.0144049 -0.333278 173.878 42.5411 -474.467 # jumping subtree containing (T0187)V117 jump= 0.656057 0.162482 0.724092 -0.137402 342.943 -115.989 -198.442 # jumping subtree containing (T0187)H90 jump= -0.745972 -0.257611 -0.0293397 -0.613435 184.839 -183.697 -48.5006 # Removing break before 120 # jumping subtree containing (T0187)P24 jump= 0.764622 -0.409948 -0.017854 -0.496968 124.53 243.121 -138.236 # generation 74: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 69 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 874 ## OptSubtree 717 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= 0.120171 0.208022 0.932636 0.269215 222.893 68.2737 -489.581 # Removing break before 68 # jumping subtree containing (T0187)P24 jump= 0.993823 -0.012031 -0.110146 -0.00624697 -54.4285 26.5481 -12.9023 # Removing break before 68 # jumping subtree containing (T0187)T100 jump= 0.923339 -0.24202 0.169221 -0.24543 155.944 152.627 -33.4384 # generation 75: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 70 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 885 ## OptSubtree 729 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V45 jump= 0.673415 -0.254826 0.568334 0.398212 238.838 171.465 -136.657 # jumping subtree containing (T0187)P24 jump= 0.975107 0.156887 0.124594 -0.0950272 59.8059 -82.2992 -14.6214 # jumping subtree containing (T0187)V136 jump= -0.997865 -0.000260397 -0.0636868 -0.014463 23.0428 -8.6915 -3.81563 # jumping subtree containing (T0187)V136 jump= -0.577975 -0.631107 0.484936 0.180242 -179.102 -91.4352 -338.375 # jumping subtree containing (T0187)L131 jump= 0.312076 0.924427 0.0506099 -0.213264 -69.6109 -155.891 -417.145 # jumping subtree containing (T0187)L121 jump= -0.477374 -0.514273 -0.707754 0.0819872 225.708 -193.311 -326.352 # jumping subtree containing (T0187)V136 jump= -0.998648 -0.0219849 -0.0458318 0.0108972 40.7234 -7.23593 -6.44291 # generation 76: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 70 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 894 ## OptSubtree 744 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.332516 0.824246 -0.107667 0.445489 240.369 142.409 -403.647 # jumping subtree containing (T0187)P24 jump= 0.905031 -0.29935 0.193103 0.23242 110.037 140.025 -4.29381 # jumping subtree containing (T0187)L131 jump= 0.896264 -0.164313 0.233642 0.339298 93.5941 82.3623 14.1352 # jumping subtree containing (T0187)V68 jump= 0.862651 0.15916 -0.260595 0.403227 -49.1721 -195.156 -129.955 # jumping subtree containing (T0187)P24 jump= 0.155516 -0.588117 0.791303 -0.0614261 196.589 101.543 -506.086 # generation 77: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 72 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 906 ## OptSubtree 754 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V117 jump= -0.46616 0.606838 0.177701 -0.618761 -195.584 39.7678 -172.776 # jumping subtree containing (T0187)P24 jump= 0.977518 0.0662712 0.180728 0.0860464 111.428 -62.226 -5.36624 # jumping subtree containing (T0187)T71 jump= 0.99477 0.0983526 -0.00985161 0.0257381 15.4559 -65.5127 -20.5537 # jumping subtree containing (T0187)V117 jump= -0.434049 0.338373 -0.802459 -0.230574 295.141 253.631 -383.944 # jumping subtree containing (T0187)L121 jump= -0.999979 0.00594354 -0.00239991 -0.000934474 -11.5354 21.264 -0.31046 # Removing break before 60 # generation 78: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 73 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 914 ## OptSubtree 769 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 31 # Removing break before 68 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)P24 jump= 0.310282 0.126167 0.00126081 0.942234 207.99 -23.7056 -10.6959 # Removing break before 68 # jumping subtree containing (T0187)G61 jump= -0.893099 -0.445948 -0.0492015 -0.032922 26.0609 -239.222 -128.487 # generation 79: best score out of 40: T0187.try1-al10-scwrl 68.909 cost/residue, 222 clashes 0.0982468 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 73 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 925 ## OptSubtree 782 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= 0.998392 -0.0192159 -0.0386171 0.03679 -6.27894 12.2772 -10.0379 # jumping subtree containing (T0187)V117 jump= -0.414106 -0.806918 -0.128521 0.401102 -110.764 -190.475 -278.758 # jumping subtree containing (T0187)V43 jump= -0.0178099 -0.696479 -0.0036333 -0.717347 347.852 11.4744 -362.331 # jumping subtree containing (T0187)P24 jump= -0.320637 0.0764902 0.861935 -0.38524 -27.6592 -163.591 -411.878 # jumping subtree containing (T0187)P24 jump= -0.985093 0.0120053 0.0534325 -0.163072 6.48781 -13.7705 3.54835 # jumping subtree containing (T0187)T145 jump= -0.238725 0.61568 0.17934 -0.729237 -149.686 -16.0286 -136.429 # jumping subtree containing (T0187)P24 jump= 0.490398 -0.814627 0.303908 -0.0594321 153.233 277.785 -339.027 # jumping subtree containing (T0187)E106 jump= -0.789075 0.284482 -0.182592 -0.512924 50.9759 84.0083 9.32654 # generation 80: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 76 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 933 ## OptSubtree 795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.965437 0.200776 0.13971 0.0900084 -74.3516 131.007 -38.9581 # Removing break before 68 # jumping subtree containing (T0187)K54 jump= 0.520957 -0.118309 0.785579 0.312206 350.455 155.508 -275.533 # jumping subtree containing (T0187)P24 jump= -0.851534 -0.0656367 0.194485 0.48245 -82.9824 86.0357 -65.9627 # jumping subtree containing (T0187)V136 jump= -0.287217 -0.898189 -0.119576 -0.310588 162.396 -116.629 -468.878 # Removing break before 68 # jumping subtree containing (T0187)P24 jump= 0.98825 -0.131677 0.0697177 0.0340983 47.2327 57.1596 -15.1796 # jumping subtree containing (T0187)T97 jump= 0.625086 0.603562 0.474813 0.139763 229.625 -220.106 -280.371 # jumping subtree containing (T0187)P24 jump= -0.395617 -0.620479 -0.675771 0.0427353 179.135 -203.969 -388.902 # generation 81: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 76 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 939 ## OptSubtree 813 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A55 jump= -0.964085 0.0512187 0.0805861 0.247837 -36.1793 97.153 -42.0339 # jumping subtree containing (T0187)G61 jump= -0.427368 -0.125915 0.347853 0.824924 -0.0783396 205.641 -113.239 # jumping subtree containing (T0187)L121 jump= 0.70645 0.616793 -0.171912 0.301565 76.4742 -267.898 -261.412 # jumping subtree containing (T0187)V136 jump= -0.517803 -0.29763 -0.752923 0.276412 256.242 -224.636 -281.067 # jumping subtree containing (T0187)G61 jump= -0.0115422 0.379211 -0.647311 0.661101 297.118 -163.335 -338.334 # jumping subtree containing (T0187)P24 jump= 0.768014 -0.359106 -0.498146 0.181792 -214.039 55.5633 -218.629 # jumping subtree containing (T0187)P24 jump= -0.764912 0.455417 0.0812534 0.448222 76.1714 276.671 -119.925 # Removing break before 68 # generation 82: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 76 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 948 ## OptSubtree 828 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.641113 -0.464288 0.406666 0.456108 -168.874 24.7014 -216.415 # jumping subtree containing (T0187)V136 jump= 0.999439 0.0283735 0.0125352 0.0126247 4.87761 -10.4302 5.69343 # Removing break before 120 # jumping subtree containing (T0187)P24 jump= -0.930516 0.264967 0.137587 0.212136 -40.5443 172.722 -61.7744 # jumping subtree containing (T0187)D82 jump= -0.235608 0.449993 -0.0922001 0.856443 356.013 78.5827 -190.093 # jumping subtree containing (T0187)I141 jump= -0.524035 -0.172566 -0.354617 0.754887 146.822 -153.801 -51.1925 # Removing break before 120 # Removing break before 68 # jumping subtree containing (T0187)L42 jump= -0.936548 0.0381598 -0.277465 0.210794 152.892 9.78522 -7.62722 # jumping subtree containing (T0187)S137 jump= -0.966905 -0.0685271 -0.0355183 -0.24318 48.5629 -55.1305 -20.9928 # generation 83: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 76 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 957 ## OptSubtree 843 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L131 jump= -0.435826 -0.698776 -0.271235 0.498196 -77.8684 -226.899 -246.067 # jumping subtree containing (T0187)L149 jump= 0.999606 -0.0174646 -0.0149921 -0.0160526 11.3757 28.4422 -10.6544 # Removing break before 68 # jumping subtree containing (T0187)P24 jump= 0.773586 -0.102713 -0.52017 0.347041 -169.551 -100.01 -180.155 # jumping subtree containing (T0187)P24 jump= 0.113415 0.556077 -0.803978 0.17758 125.065 -28.4324 -535.561 # jumping subtree containing (T0187)L149 jump= 0.11944 -0.272069 0.500407 0.813207 57.3827 243.946 -105.144 # jumping subtree containing (T0187)L149 jump= 0.932198 -0.322948 0.0831125 -0.140726 48.3471 159.338 -36.89 # Removing break before 68 # jumping subtree containing (T0187)L42 jump= -0.875363 0.278169 0.328641 0.219901 -93.7741 191.726 -180.419 # generation 84: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 76 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 966 ## OptSubtree 858 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 120 # Removing break before 120 # jumping subtree containing (T0187)L149 jump= 0.162464 0.490228 -0.639516 -0.569475 -86.7363 218.755 -319.294 # jumping subtree containing (T0187)L107 jump= 0.219845 -0.888842 0.223394 -0.334249 190.337 137.022 -464.633 # jumping subtree containing (T0187)T100 jump= -0.0474028 -0.214151 -0.974897 0.038317 198.209 -83.1693 -522.012 # jumping subtree containing (T0187)I141 jump= 0.29918 0.140137 -0.752915 0.569186 52.0034 -238.479 -359.333 # generation 85: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 76 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 973 ## OptSubtree 875 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.245922 -0.668079 0.176116 0.679835 -186.67 72.1008 -180.359 # jumping subtree containing (T0187)L149 jump= 0.837506 0.35125 -0.323441 -0.265693 -176.273 -53.3994 -147.577 # jumping subtree containing (T0187)N36 jump= -0.995659 -0.0705474 -0.0255177 -0.0550911 15.6393 -50.6766 4.45256 # Removing break before 68 # jumping subtree containing (T0187)G61 jump= -0.212976 0.835609 0.388297 -0.324998 -159.594 -29.4568 -410.834 # jumping subtree containing (T0187)V117 jump= -0.994951 -0.033033 -0.0267747 -0.0909094 35.0002 -43.1313 -15.7853 # jumping subtree containing (T0187)P24 jump= 0.766582 -0.415874 0.382374 0.305272 152.268 237.296 -99.3907 # jumping subtree containing (T0187)F129 jump= -0.148229 0.593524 0.789458 0.0501268 46.3619 28.3174 -525.023 # jumping subtree containing (T0187)D82 jump= 0.99996 0.00160706 -0.0022271 0.00847984 11.7917 21.0574 6.16162 # generation 86: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 77 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 982 ## OptSubtree 889 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.9791 0.0697192 -0.00950714 -0.190822 2.29624 4.50323 -20.7218 # jumping subtree containing (T0187)F129 jump= 0.903638 0.289435 0.133539 -0.286066 26.7796 -131.37 -13.063 # jumping subtree containing (T0187)L42 jump= 0.958971 -0.00461536 -0.0778465 0.272568 -40.0487 -38.9163 -0.56711 # jumping subtree containing (T0187)V136 jump= -0.467287 0.17328 -0.347998 0.794049 250.467 -19.9788 -74.4957 # jumping subtree containing (T0187)L149 jump= -0.160377 0.305348 -0.828737 0.440724 271.685 -120.666 -381.723 # jumping subtree containing (T0187)D82 jump= 0.35001 0.19783 0.505218 0.763617 305.061 108.051 -143.893 # Removing break before 68 # generation 87: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 79 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 989 ## OptSubtree 904 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L148 jump= -0.923105 0.098109 -0.325848 0.179092 181.156 57.2992 4.25487 # jumping subtree containing (T0187)T145 jump= -0.910359 0.0896897 0.30625 -0.263465 -120.391 -54.8761 -72.543 # jumping subtree containing (T0187)G135 jump= 0.798875 -0.065973 0.58201 -0.136786 286.349 10.0342 -116.938 # jumping subtree containing (T0187)L149 jump= -0.564437 -0.432082 0.529857 -0.462567 30.6971 -259.759 -327.449 # jumping subtree containing (T0187)V117 jump= -0.995427 0.0587101 0.00501818 -0.0751845 3.56987 11.361 -21.6803 # Removing break before 120 # jumping subtree containing (T0187)L121 jump= 0.748578 0.114603 0.411544 -0.507078 193.717 -108.137 -24.1908 # jumping subtree containing (T0187)V117 jump= 0.984943 0.0350317 -0.00857473 0.169073 2.53692 -25.0681 -11.2834 # jumping subtree containing (T0187)E106 jump= -0.998339 -0.0462568 0.0333454 -0.00823916 -29.856 -44.0494 -0.25337 # jumping subtree containing (T0187)V117 jump= -0.949884 0.127947 0.119825 -0.258828 -49.0487 -6.69341 -14.9976 # jumping subtree containing (T0187)N36 jump= 0.582112 0.222594 -0.574749 -0.530341 -126.17 209.989 -258.596 # generation 88: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 79 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 999 ## OptSubtree 918 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.616713 0.779673 -0.10089 0.0399582 -22.9391 -223.431 -362.247 # jumping subtree containing (T0187)L149 jump= -0.819596 0.0287023 -0.292475 0.49183 194.771 30.5434 -2.84128 # jumping subtree containing (T0187)T97 jump= 0.8283 0.0479156 -0.357568 -0.428682 -120.021 149.438 -128.05 # jumping subtree containing (T0187)P24 jump= 0.51474 0.421961 0.619991 0.415455 337.607 -47.0074 -314.121 # jumping subtree containing (T0187)V117 jump= -0.882009 -0.422188 0.0414164 0.205188 -83.7116 -136.323 -90.9871 # generation 89: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 80 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1007 ## OptSubtree 933 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= -0.927718 -0.231657 0.282535 0.0764745 -153.102 -93.4608 -118.899 # Removing break before 68 # Removing break before 60 # jumping subtree containing (T0187)P132 jump= -0.930048 -0.241025 0.0369208 -0.274873 27.0642 -176.641 -50.993 # jumping subtree containing (T0187)V117 jump= -0.912729 0.255826 -0.0429625 -0.315647 12.642 71.0076 -32.3559 # jumping subtree containing (T0187)L149 jump= 0.937202 0.0506709 -0.324959 0.116134 -148.073 -58.1381 -126.569 # generation 90: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 82 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1011 ## OptSubtree 951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L148 jump= -0.470438 -0.014016 0.865319 0.172377 -108.754 90.1853 -431.659 # jumping subtree containing (T0187)P24 jump= 0.890318 0.399377 0.218319 -0.0129817 118.659 -189.981 -86.0116 # jumping subtree containing (T0187)L149 jump= 0.639612 -0.489371 -0.0198453 -0.592469 180.415 246.183 -142.368 # jumping subtree containing (T0187)G61 jump= -0.845131 0.453507 -0.143194 -0.244091 42.4823 209.308 -87.3715 # Removing break before 60 # jumping subtree containing (T0187)F83 jump= 0.147992 -0.588513 -0.7932 -0.0508429 42.871 -16.9828 -564.016 # jumping subtree containing (T0187)L37 jump= -0.738949 0.327868 -0.448508 -0.38118 203.858 190.988 -51.7043 # jumping subtree containing (T0187)L149 jump= 0.077944 0.684001 -0.239456 0.684637 320.128 -85.2377 -354.805 # generation 91: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 82 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1018 ## OptSubtree 968 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.164436 0.109453 -0.970672 0.137029 244.372 -39.0169 -444.904 # jumping subtree containing (T0187)P24 jump= -0.366576 -0.0426654 -0.869264 -0.32891 323.81 119.235 -382.604 # jumping subtree containing (T0187)H90 jump= -0.528649 -0.265678 -0.761741 -0.264 368.286 -27.2128 -323.385 # jumping subtree containing (T0187)P24 jump= -0.981674 -0.182023 0.0170397 0.0537925 -37.9047 -74.9157 -18.3257 # jumping subtree containing (T0187)L149 jump= -0.916544 0.0222492 -0.0423561 0.397063 31.8364 39.9601 -9.65969 # jumping subtree containing (T0187)V43 jump= -0.747289 0.355024 -0.22778 -0.513453 86.2646 163.181 -19.7813 # jumping subtree containing (T0187)P24 jump= 0.529953 0.459072 -0.304154 0.644898 174.591 -232.867 -227.251 # jumping subtree containing (T0187)F129 jump= 0.325792 0.143901 -0.924306 0.137151 -13.2794 -91.7423 -472.575 # Removing break before 60 # jumping subtree containing (T0187)L149 jump= 0.490494 0.514914 -0.102358 0.695558 235.769 -184.036 -210.903 # generation 92: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 82 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1027 ## OptSubtree 983 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.0305594 0.55543 -0.785904 0.270033 183.931 -33.4714 -524.839 # jumping subtree containing (T0187)L149 jump= -0.944361 0.0800847 0.306681 -0.0878331 -143.983 5.62744 -72.3043 # jumping subtree containing (T0187)T145 jump= -0.34409 0.370454 -0.69523 0.510902 355.084 -42.1321 -288.845 # jumping subtree containing (T0187)L148 jump= -0.502157 0.471609 0.320325 0.650242 154.81 258.39 -221.729 # jumping subtree containing (T0187)N36 jump= 0.966225 -0.00699133 0.2355 0.104405 136.493 -7.41091 41.6591 # generation 93: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 86 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1031 ## OptSubtree 999 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.933109 0.195419 -0.274696 -0.125146 137.602 123.136 -33.9164 # jumping subtree containing (T0187)L149 jump= -0.893028 0.334561 0.0377662 0.29857 33.1204 221.92 -89.3556 # jumping subtree containing (T0187)E106 jump= -0.24731 0.374481 0.303259 0.840616 287.685 215.147 -178.231 # jumping subtree containing (T0187)M1 jump= 0.095551 0.778022 0.344149 0.51683 274.811 20.0169 -434.85 # jumping subtree containing (T0187)G135 jump= -0.881594 0.311219 -0.320779 -0.151777 137.605 184.627 -62.5036 # jumping subtree containing (T0187)T97 jump= 0.948332 0.223667 0.0556056 -0.218055 22.4705 -64.6523 -23.2104 # jumping subtree containing (T0187)L121 jump= 0.999886 0.00735252 0.00998741 -0.00862078 11.4024 -23.6867 -6.10621 # jumping subtree containing (T0187)V69 jump= -0.522365 -0.406549 -0.687167 -0.299424 350.548 -74.8931 -287.899 # Removing break before 68 # jumping subtree containing (T0187)H90 jump= -0.776468 -0.424521 -0.309555 0.34793 85.5258 -210.957 -84.3098 # generation 94: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 87 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1038 ## OptSubtree 1015 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.555871 -0.610198 0.477333 -0.301361 290.894 183.841 -304.03 # jumping subtree containing (T0187)L149 jump= -0.77856 -0.0587345 -0.170754 0.601031 78.315 -9.84612 4.5718 # jumping subtree containing (T0187)N36 jump= -0.832113 0.0587202 0.551085 0.0210776 -169.323 25.6139 -235.049 # jumping subtree containing (T0187)A55 jump= 0.678199 0.450018 -0.360468 0.455624 52.5132 -261.984 -241.813 # jumping subtree containing (T0187)L149 jump= -0.535078 -0.42717 -0.670182 0.286483 211.747 -212.841 -251.071 # jumping subtree containing (T0187)V117 jump= -0.604145 0.334768 0.723138 0.00326776 -113.619 65.4638 -398.08 # jumping subtree containing (T0187)V43 jump= -0.169095 0.695767 -0.342628 0.608212 328.542 44.7951 -340.326 # jumping subtree containing (T0187)L107 jump= -0.914731 -0.363636 -0.0573799 -0.166566 57.1157 -208.234 -55.2048 # jumping subtree containing (T0187)L149 jump= -0.937233 0.0248165 0.281929 -0.203703 -90.316 -50.2834 -74.1312 # generation 95: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 88 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1041 ## OptSubtree 1035 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 31 # jumping subtree containing (T0187)V117 jump= 0.645079 -0.116226 -0.583338 0.479668 -116.18 -143.703 -195.251 # jumping subtree containing (T0187)L149 jump= -0.843906 0.501471 -0.180545 0.0612656 98.2172 240.653 -110.311 # jumping subtree containing (T0187)M1 jump= 0.55196 -0.723095 -0.410764 -0.0612104 -83.016 188.892 -372.142 # jumping subtree containing (T0187)G61 jump= 0.797517 0.544513 -0.0785606 -0.247589 -102.119 -167.45 -167.459 # jumping subtree containing (T0187)L149 jump= -0.946505 0.178923 -0.099057 0.249603 75.4065 121.406 -37.474 # jumping subtree containing (T0187)L149 jump= 0.692676 0.438566 0.551098 -0.155406 184.278 -229.592 -199.413 # generation 96: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 91 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1043 ## OptSubtree 1054 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.989425 0.144615 -0.00947866 0.00597935 8.35287 96.2042 -25.0391 # jumping subtree containing (T0187)V43 jump= -0.985599 0.00587715 0.15167 0.0745459 -70.0941 -1.722 -40.1164 # jumping subtree containing (T0187)T100 jump= 0.600128 -0.125492 -0.41407 0.672788 -56.8908 -202.545 -157.947 # jumping subtree containing (T0187)N36 jump= -0.886798 0.295209 -0.355438 0.0102115 193.626 156.247 -47.4078 # jumping subtree containing (T0187)L149 jump= -0.959896 0.231447 -0.15535 0.0299831 105.718 117.183 -18.0835 # Removing break before 60 # jumping subtree containing (T0187)L149 jump= 0.668815 -0.640138 -0.196615 0.322883 -145.385 152.613 -225.973 # jumping subtree containing (T0187)L149 jump= -0.187736 -0.84423 0.222677 0.449939 -179.271 55.4641 -339.159 # jumping subtree containing (T0187)P24 jump= -0.4994 0.711965 0.322934 0.373389 67.9897 285.567 -351.642 # Removing break before 68 # jumping subtree containing (T0187)N36 jump= 0.469051 0.313371 -0.820704 -0.0907446 -69.8663 -0.510418 -481.535 # jumping subtree containing (T0187)L149 jump= 0.410916 -0.779993 -0.202758 0.426203 -198.143 95.7155 -308.004 # generation 97: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 92 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1046 ## OptSubtree 1074 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V117 jump= -0.710319 -0.62358 0.0253557 -0.325503 118.661 -264.9 -221.54 # jumping subtree containing (T0187)G61 jump= -0.670692 0.235327 -0.300372 0.636058 301.218 86.6844 -65.3302 # jumping subtree containing (T0187)V104 jump= -0.270615 0.519066 0.80883 -0.0559611 -2.14193 -25.6217 -526.011 # Removing break before 68 # jumping subtree containing (T0187)T145 jump= -0.944104 0.182901 0.114798 0.249071 -8.94061 140.208 -50.65 # generation 98: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982463 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 94 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1052 ## OptSubtree 1090 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.250307 0.672595 -0.672653 0.180278 86.1096 -49.8429 -532.363 # jumping subtree containing (T0187)H90 jump= 0.451429 -0.510943 0.390861 -0.618366 369.756 98.5399 -234.913 # jumping subtree containing (T0187)L121 jump= -0.491364 -0.199252 0.139537 -0.836295 169.653 -166.421 -64.9417 # jumping subtree containing (T0187)L149 jump= 0.96712 0.0437343 -0.166708 -0.187015 -108.486 18.5606 -48.8866 # jumping subtree containing (T0187)L107 jump= 0.224851 0.0988317 0.0287485 -0.968942 130.008 27.4812 16.3488 # generation 99: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 96 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1064 ## OptSubtree 1100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.079038 0.157647 0.241881 -0.954146 87.1614 -91.2105 5.76442 # jumping subtree containing (T0187)L120 jump= -0.564751 0.126188 0.810784 0.0881075 -149.923 51.4067 -402.281 # jumping subtree containing (T0187)N36 jump= 0.613296 0.598227 0.47553 -0.199657 108.785 -255.717 -210.439 # jumping subtree containing (T0187)F129 jump= 0.169368 -0.424812 -0.122341 0.880842 -117.545 -5.98736 -41.1772 # jumping subtree containing (T0187)L149 jump= -0.389185 -0.182307 0.897666 -0.0974391 -51.2863 -47.1684 -484.615 # jumping subtree containing (T0187)L149 jump= -0.887392 -0.306258 -0.0800421 0.335163 8.21675 -84.4866 -16.1437 # jumping subtree containing (T0187)E106 jump= -0.967783 0.10187 0.222218 -0.060311 -89.8404 47.0581 -57.6337 # jumping subtree containing (T0187)V69 jump= -0.890213 0.120989 0.42137 -0.123816 -166.454 -3.44109 -187.45 # jumping subtree containing (T0187)L107 jump= 0.472941 -0.827839 -0.0369573 -0.299405 136.287 248.528 -407.509 # jumping subtree containing (T0187)D82 jump= 0.963672 0.00590466 0.0226239 0.266063 27.5619 -62.4806 17.0182 # jumping subtree containing (T0187)P24 jump= 0.249079 0.829944 0.496079 -0.0552947 57.8243 -145.32 -446.842 # generation 100: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 98 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1067 ## OptSubtree 1119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= -0.256212 -0.793532 0.504743 0.223375 -85.1838 57.4591 -476.303 # jumping subtree containing (T0187)L149 jump= -0.95638 -0.0697386 0.0605396 -0.277142 -8.59841 -92.3683 -23.0507 # jumping subtree containing (T0187)G61 jump= -0.987298 0.134699 -0.0288656 0.0791507 9.20064 64.595 -15.2246 # jumping subtree containing (T0187)D82 jump= -0.115889 -0.689906 -0.664072 0.263833 38.1667 -191.072 -465.516 # jumping subtree containing (T0187)T145 jump= 0.451367 0.24756 -0.0566778 -0.855436 -27.6362 38.7176 4.13376 # generation 101: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 99 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1074 ## OptSubtree 1135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L148 jump= 0.757585 0.380079 -0.477931 0.230622 -97.554 -214.756 -278.694 # Removing break before 120 # jumping subtree containing (T0187)K54 jump= -0.999601 0.0105757 0.0149987 0.0214948 -22.4557 21.0685 6.75561 # jumping subtree containing (T0187)V43 jump= 0.962693 0.0540503 -0.0717966 0.255236 -9.12291 -95.3686 -38.2956 # jumping subtree containing (T0187)H90 jump= 0.603622 0.425188 0.527632 -0.420072 144.837 -267.458 -169.695 # jumping subtree containing (T0187)H90 jump= -0.607889 -0.577652 0.324548 0.437559 -201.894 -24.7454 -227.608 # Removing break before 120 # Removing break before 120 # jumping subtree containing (T0187)S137 jump= -0.814236 -0.197202 0.398568 -0.373195 -78.042 -204.601 -171.367 # jumping subtree containing (T0187)V40 jump= -0.041711 0.431514 0.581478 0.688432 283.249 183.697 -315.593 # generation 102: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 99 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1082 ## OptSubtree 1151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F129 jump= -0.765706 -0.316721 -0.45177 0.330584 147.425 -190.107 -106.364 # Removing break before 60 # jumping subtree containing (T0187)L149 jump= -0.357276 -0.650679 -0.199374 0.639703 -100.566 -176.289 -158.248 # jumping subtree containing (T0187)L149 jump= 0.329551 0.284567 0.680731 0.589087 318.796 94.3966 -292.556 # jumping subtree containing (T0187)L149 jump= -0.997359 -0.0667662 0.0143233 0.0247282 -11.1427 -9.78577 -6.5196 # jumping subtree containing (T0187)T100 jump= -0.969124 -0.0899452 -0.202284 0.10858 98.9431 -44.4716 4.3132 # jumping subtree containing (T0187)F129 jump= -0.310491 0.668179 -0.644368 0.204748 215.698 121.797 -416.631 # jumping subtree containing (T0187)L107 jump= -0.792357 0.133312 0.161379 0.573023 48.043 176.74 -73.4654 # jumping subtree containing (T0187)L149 jump= -0.524787 -0.71118 0.427113 -0.190777 5.49591 -206.49 -410.293 # jumping subtree containing (T0187)V69 jump= -0.999991 -0.00391346 -0.00161894 -0.000720836 -6.17095 -3.50064 23.9993 # generation 103: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 101 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1085 ## OptSubtree 1170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= -0.062836 -0.163647 -0.234653 -0.956143 263.023 153.143 -74.3515 # jumping subtree containing (T0187)N36 jump= 0.815861 -0.209178 -0.51386 -0.162981 -142.052 124.054 -250.554 # jumping subtree containing (T0187)E106 jump= -0.216444 0.478808 -0.566634 0.634682 346.196 -67.4767 -307.491 # jumping subtree containing (T0187)F129 jump= -0.483419 0.191204 0.192113 -0.83237 -42.8434 -80.3802 0.364494 # jumping subtree containing (T0187)K54 jump= -0.739672 0.0745346 -0.554806 0.373525 320.519 4.76963 -104.286 # Removing break before 68 # jumping subtree containing (T0187)L149 jump= -0.765231 -0.177245 -0.047802 -0.617026 115.179 -104.78 -19.2923 # jumping subtree containing (T0187)L149 jump= -0.336014 0.118255 0.674722 -0.646421 -33.1862 -252.506 -262.189 # jumping subtree containing (T0187)D82 jump= 0.56539 0.805898 0.157397 0.0780318 100.865 -277.195 -385.363 # jumping subtree containing (T0187)A55 jump= -0.991733 -0.0119774 0.125829 0.0221099 -60.4052 21.6849 -30.8078 # jumping subtree containing (T0187)L32 jump= 0.0126191 0.0747044 -0.986971 0.141943 203.398 -68.1888 -520.708 # jumping subtree containing (T0187)E106 jump= -0.619251 -0.121087 -0.466802 0.619647 202.63 -121.11 -61.334 # jumping subtree containing (T0187)L148 jump= -0.0857169 0.942713 -0.285355 0.150056 90.5191 62.6123 -530.034 # Removing break before 60 # generation 104: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 101 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1092 ## OptSubtree 1187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.889719 0.117045 -0.250906 -0.362968 105.982 74.8431 3.98564 # jumping subtree containing (T0187)V117 jump= -0.997777 -0.00581182 0.0576638 -0.0329013 -50.1146 -3.15978 -24.7821 # jumping subtree containing (T0187)L107 jump= -0.0963014 -0.262682 0.0395817 -0.959248 270.73 -42.3781 -76.6959 # jumping subtree containing (T0187)P24 jump= -0.122232 -0.16012 -0.979498 0.00214054 216.282 -10.9106 -493.85 # jumping subtree containing (T0187)L148 jump= -0.944231 0.267854 0.0460387 0.185909 5.75375 178.184 -70.3297 # Removing break before 68 # jumping subtree containing (T0187)T100 jump= -0.940741 -0.189961 -0.0632344 -0.273721 58.192 -140.098 -25.4381 # generation 105: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 101 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1101 ## OptSubtree 1202 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.847135 -0.383304 -0.292021 0.223973 -124.138 68.6535 -146.112 # jumping subtree containing (T0187)L107 jump= -0.884456 0.0924056 0.434704 -0.142236 -157.312 -20.2254 -179.956 # jumping subtree containing (T0187)T97 jump= -0.318981 0.550931 0.473904 0.608393 192.699 223.692 -350.138 # jumping subtree containing (T0187)L148 jump= 0.877058 -0.388919 -0.124241 0.253129 -115.54 120.795 -75.7663 # jumping subtree containing (T0187)L148 jump= 0.97181 0.0335149 0.0160387 -0.232819 -2.41926 27.7896 24.1474 # jumping subtree containing (T0187)I141 jump= 0.0472837 0.950208 -0.288315 0.10837 62.8799 8.34641 -513.862 # jumping subtree containing (T0187)T145 jump= 0.169697 0.00898553 0.59222 0.787653 219.857 219.109 -179.132 # jumping subtree containing (T0187)H90 jump= 0.949964 0.110083 0.194137 0.218544 134.236 -86.2103 24.3107 # jumping subtree containing (T0187)L121 jump= 0.837897 -0.177093 0.382386 0.346911 168.767 114.458 -24.819 # generation 106: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 102 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1107 ## OptSubtree 1219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.180151 0.0243969 -0.859216 0.478223 227.315 -181.709 -368.715 # jumping subtree containing (T0187)V43 jump= -0.240685 0.28981 -0.923382 0.0738027 256.261 52.2044 -460.786 # Removing break before 60 # jumping subtree containing (T0187)L131 jump= 0.987479 0.0792279 -0.0384449 0.130883 -26.2837 -61.1767 -25.4203 # Removing break before 120 # Removing break before 31 # jumping subtree containing (T0187)L131 jump= -0.636604 0.761311 -0.0471295 -0.113667 -37.0001 278.5 -272.451 # generation 107: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 104 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1111 ## OptSubtree 1237 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.112092 0.990513 0.0719138 -0.0338747 -23.3203 -34.0831 -522.149 # jumping subtree containing (T0187)G61 jump= 0.648737 0.34504 0.678026 -0.0191971 312.364 -188.368 -228.917 # jumping subtree containing (T0187)D82 jump= 0.58989 -0.571252 0.327914 -0.467089 284.153 173.371 -222.447 # jumping subtree containing (T0187)D82 jump= 0.845483 -0.222655 0.161176 0.457827 75.649 81.8446 5.43453 # generation 108: best score out of 40: T0187.try1-al10-scwrl 68.9088 cost/residue, 222 clashes 0.0982458 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 66 ## TwoFragment 11 ## CrossOver 105 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1117 ## OptSubtree 1254 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= 0.999487 0.0302706 0.00955644 -0.0041766 23.6093 -29.1885 11.6454 # Removing break before 68 # jumping subtree containing (T0187)G61 jump= -0.022533 0.201275 -0.133477 -0.970136 102.757 111.81 17.6317 # jumping subtree containing (T0187)H90 jump= 0.642327 0.586738 -0.172258 0.462041 165.882 -263.727 -294.692 # jumping subtree containing (T0187)V69 jump= -0.979009 -0.0854917 0.0754549 0.168938 -59.2319 15.4577 -3.9379 # jumping subtree containing (T0187)L148 jump= 0.803898 0.354794 0.367456 0.304707 275.57 -136.717 -122.965 # Removing break before 120 # jumping subtree containing (T0187)T145 jump= 0.346645 0.498548 -0.164264 0.77737 289.715 -179.504 -210.231 # jumping subtree containing (T0187)L107 jump= 0.98316 0.0224984 -0.154393 -0.0951492 -83.566 5.32115 -20.7908 # generation 109: best score out of 40: T0187.try1-al10-scwrl 68.8579 cost/residue, 227 clashes 0.097296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 106 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1125 ## OptSubtree 1268 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= -0.598424 0.547112 0.576241 0.102486 -109.473 154.681 -431.734 # jumping subtree containing (T0187)L107 jump= 0.788157 -0.557098 -0.12083 -0.232058 42.3201 245.763 -204.4 # jumping subtree containing (T0187)L149 jump= -0.77173 -0.346979 -0.523806 0.0983162 219.996 -199.163 -144.688 # jumping subtree containing (T0187)E106 jump= -0.960266 -0.169713 -0.185369 -0.121348 132.597 -86.3487 0.544997 # jumping subtree containing (T0187)A55 jump= 0.808249 -0.110589 -0.425132 -0.39213 -131.535 192.605 -176.744 # jumping subtree containing (T0187)L131 jump= 0.314725 0.515553 -0.205238 0.770084 268.301 -156.66 -222.348 # jumping subtree containing (T0187)L148 jump= 0.963929 -0.126428 0.0921652 0.215319 35.2984 63.3924 12.5316 # Removing break before 68 # jumping subtree containing (T0187)L32 jump= 0.305991 -0.730316 0.610097 0.0281053 200.633 218.494 -424.971 # jumping subtree containing (T0187)N36 jump= -0.972383 -0.179934 0.143989 0.0369081 -47.3102 -71.2998 -46.4078 # Removing break before 120 # jumping subtree containing (T0187)T145 jump= -0.286457 0.807746 -0.397425 0.327935 251.529 132.486 -451.436 # jumping subtree containing (T0187)P24 jump= 0.368918 0.661564 0.571152 -0.316258 62.5097 -247.986 -336.004 # generation 110: best score out of 40: T0187.try1-al10-scwrl 68.8579 cost/residue, 227 clashes 0.097296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 107 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1135 ## OptSubtree 1281 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E106 jump= -0.63766 -0.17713 -0.586638 -0.466766 336.604 2.88841 -168.477 # jumping subtree containing (T0187)T145 jump= -0.953929 0.296281 -0.00519741 0.0470157 12.0176 158.244 -23.6715 # jumping subtree containing (T0187)L148 jump= -0.951357 -0.241606 -0.148003 -0.120998 97.337 -132.864 -12.2651 # jumping subtree containing (T0187)L149 jump= 0.180229 -0.14565 -0.960363 0.154942 37.9502 -95.2295 -510.412 # jumping subtree containing (T0187)L149 jump= 0.981857 0.0768667 -0.13234 0.11196 -58.1759 -77.8176 -37.2405 # jumping subtree containing (T0187)L148 jump= 0.990508 -0.0751486 -0.0917833 0.0694431 -35.0815 48.7983 -15.1873 # jumping subtree containing (T0187)F129 jump= -0.432244 0.0757593 0.892152 -0.107189 -103.978 -48.9162 -458.066 # jumping subtree containing (T0187)P24 jump= 0.447719 -0.21556 0.845036 -0.197472 343.3 19.9407 -337.714 # Removing break before 89 # jumping subtree containing (T0187)L148 jump= -0.132356 0.690013 0.0257341 -0.711127 -180.763 20.7279 -183.352 # jumping subtree containing (T0187)L149 jump= 0.267011 0.764592 0.334304 0.482021 279.293 -68.6908 -385.175 # generation 111: best score out of 40: T0187.try1-al10-scwrl 68.8579 cost/residue, 227 clashes 0.097296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 107 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1154 ## OptSubtree 1295 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L105 jump= 0.589904 0.460208 -0.211646 -0.628831 -126.805 54.8086 -114.252 # jumping subtree containing (T0187)T145 jump= 0.981526 -0.104777 0.130848 0.0922326 74.5918 43.5228 22.5837 # Removing break before 89 # Removing break before 60 # jumping subtree containing (T0187)P24 jump= 0.54448 -0.160176 -0.71765 0.403563 -147.441 -136.072 -327.324 # jumping subtree containing (T0187)H90 jump= -0.793274 -0.565372 0.133882 0.182063 -130.479 -191.669 -180.015 # jumping subtree containing (T0187)N36 jump= 0.70203 -0.275625 0.29831 0.584975 112.456 170.89 -13.1167 # jumping subtree containing (T0187)V43 jump= 0.273553 -0.437461 0.491766 0.701401 52.9247 242.674 -136.222 # Removing break before 60 # jumping subtree containing (T0187)F129 jump= 0.354885 -0.634342 -0.349131 -0.591417 205.497 243.311 -330.364 # jumping subtree containing (T0187)E106 jump= -0.849614 -0.290808 0.388155 0.207177 -172.634 -36.9788 -160.272 # jumping subtree containing (T0187)V43 jump= -0.819598 -0.291629 0.0780441 0.48695 -66.1392 -25.0098 -16.1289 # jumping subtree containing (T0187)L149 jump= -0.782056 0.279395 -0.21647 -0.513291 52.6339 132.671 -14.6524 # jumping subtree containing (T0187)V69 jump= 0.933486 0.257354 0.152479 0.197795 127.719 -171.358 -57.9444 # generation 112: best score out of 40: T0187.try1-al10-scwrl 68.8555 cost/residue, 226 clashes 0.0972958 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 108 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1166 ## OptSubtree 1312 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.862599 0.335337 -0.293036 -0.240006 123.154 171.917 -40.3403 # jumping subtree containing (T0187)V69 jump= -0.738904 0.501948 -0.361973 -0.266542 114.86 211.532 -85.9131 # jumping subtree containing (T0187)L149 jump= -0.163536 -0.113582 -0.35573 0.913133 115.881 -155.627 -22.9755 # jumping subtree containing (T0187)V69 jump= -0.786821 0.455365 -0.14481 -0.390623 -4.90238 159.553 -67.0239 # jumping subtree containing (T0187)L107 jump= -0.844001 -0.514986 -0.0641871 -0.135395 52.9393 -237.568 -157.568 # Removing break before 89 # jumping subtree containing (T0187)L149 jump= -0.447535 -0.225481 0.767745 0.399297 -83.5343 192.719 -370.986 # jumping subtree containing (T0187)G61 jump= 0.786396 -0.541322 0.0468601 -0.293863 142.3 271.857 -172.776 # jumping subtree containing (T0187)T97 jump= 0.289912 -0.33662 -0.0372243 0.895127 -6.83922 3.47981 -12.5533 # jumping subtree containing (T0187)L148 jump= 0.996014 -0.00645455 0.0561304 -0.0690168 31.8406 28.5731 15.0337 # jumping subtree containing (T0187)T97 jump= -0.940584 -0.277899 0.191067 -0.0395873 -85.086 -159.427 -95.682 # jumping subtree containing (T0187)D82 jump= 0.0213426 -0.820993 0.561877 -0.0990383 122.664 106.666 -511.352 # jumping subtree containing (T0187)M1 jump= 0.574889 -0.0439413 -0.0145717 -0.816921 98.2441 107.953 -12.4035 # jumping subtree containing (T0187)L42 jump= 0.864188 0.0992108 0.474336 -0.13543 240.459 -62.3337 -77.1354 # jumping subtree containing (T0187)T100 jump= -0.52527 0.541389 -0.63178 0.178448 339.782 197.834 -235.305 # generation 113: best score out of 40: T0187.try1-al10-scwrl 68.8547 cost/residue, 226 clashes 0.0972959 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 109 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1175 ## OptSubtree 1328 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.992265 -0.051308 -0.102841 -0.0469189 29.5142 -27.6359 5.88998 # jumping subtree containing (T0187)L42 jump= 0.84709 0.130092 -0.482952 -0.179646 -137.237 43.0979 -188.751 # generation 114: best score out of 40: T0187.try1-al10-scwrl 68.853 cost/residue, 226 clashes 0.097296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 109 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1191 ## OptSubtree 1345 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N36 jump= -0.999917 -0.00609772 -0.00448072 -0.0104752 3.69373 -31.8825 5.2453 # jumping subtree containing (T0187)V43 jump= 0.995505 -0.0806184 -0.0469573 0.0162682 -45.2029 35.6495 -1.10628 # jumping subtree containing (T0187)M1 jump= 0.349805 -0.0304983 -0.216021 0.911066 175.415 -115.245 -22.4647 # Removing break before 68 # Removing break before 68 # Removing break before 68 # jumping subtree containing (T0187)H90 jump= -0.311885 0.432225 0.846109 0.00290523 -10.5673 0.156751 -451.497 # generation 115: best score out of 40: T0187.try1-al10-scwrl 68.8529 cost/residue, 226 clashes 0.097296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 110 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1204 ## OptSubtree 1356 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.969965 -0.166884 0.151028 0.0922407 61.8512 71.6413 8.23145 # jumping subtree containing (T0187)N36 jump= 0.482574 -0.398345 0.611699 -0.484012 376.541 34.4685 -221.69 # jumping subtree containing (T0187)A53 jump= -0.301662 0.15009 0.0578014 -0.939751 104.26 -4.04577 22.8098 # jumping subtree containing (T0187)F129 jump= 0.893873 0.176232 0.379425 -0.161153 175.009 -70.8443 -14.8143 # Removing break before 89 # Removing break before 68 # jumping subtree containing (T0187)L107 jump= -0.372688 0.419082 -0.411312 0.718538 365.158 74.4097 -154.551 # jumping subtree containing (T0187)L107 jump= 0.428299 -0.76969 -0.300235 0.366055 -148.395 38.2354 -306.926 # generation 116: best score out of 40: T0187.try1-al10-scwrl 68.8529 cost/residue, 226 clashes 0.097296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 111 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1208 ## OptSubtree 1375 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.997593 -0.0310378 0.00739619 -0.061562 -15.6455 -49.0021 -3.97046 # jumping subtree containing (T0187)P24 jump= 0.96975 -0.103142 -0.213157 -0.0592551 -102.726 46.766 -69.0799 # jumping subtree containing (T0187)M1 jump= -0.699437 0.640875 0.1628 -0.271225 -112.174 126.379 -150.524 # jumping subtree containing (T0187)P24 jump= 0.514177 0.401394 0.496218 -0.57295 140.515 -247.241 -99.8966 # jumping subtree containing (T0187)P24 jump= 0.407679 -0.261279 0.664688 -0.568964 373.218 -11.4418 -182.806 # jumping subtree containing (T0187)L107 jump= 0.588266 0.806283 -0.0609174 0.0118466 -22.9694 -198.855 -339.236 # jumping subtree containing (T0187)F129 jump= -0.612542 -0.00625615 -0.759453 -0.219052 395.794 42.737 -184.684 # generation 117: best score out of 40: T0187.try1-al10-scwrl 68.8529 cost/residue, 226 clashes 0.097296 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 112 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1214 ## OptSubtree 1392 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.377931 -0.423247 -0.717873 0.403347 -79.1963 -181.964 -347.208 # jumping subtree containing (T0187)F129 jump= -0.188228 -0.46265 -0.776801 -0.383543 337.976 6.0493 -397.554 # jumping subtree containing (T0187)E106 jump= 0.996662 0.0178674 0.0792575 -0.00803835 35.2345 16.2182 21.2105 # jumping subtree containing (T0187)V69 jump= -0.878637 0.395007 -0.00537401 -0.268212 -40.7863 122.647 -73.187 # jumping subtree containing (T0187)L32 jump= 0.0042803 0.0879598 0.717011 0.691477 226.321 231.958 -287.667 # jumping subtree containing (T0187)H90 jump= 0.921278 0.00589433 -0.208119 0.328478 -78.3544 -110.665 -42.3785 # jumping subtree containing (T0187)L107 jump= -0.380556 0.581041 0.698145 0.173673 25.0139 112.703 -452.745 # jumping subtree containing (T0187)L107 jump= 0.510321 0.282614 0.782752 -0.216797 291.939 -181.343 -252.95 # Removing break before 68 # generation 118: best score out of 40: T0187.try1-al10-scwrl 68.8528 cost/residue, 226 clashes 0.0972958 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 118 ## CrossAndInsert 15 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1214 ## OptSubtree 1412 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R39 jump= -0.860615 -0.0456556 0.0450836 0.505197 15.1752 72.9299 -18.7462 # jumping subtree containing (T0187)L107 jump= -0.970024 0.0982921 -0.109826 -0.193213 66.0288 4.59443 27.4428 # jumping subtree containing (T0187)L148 jump= -0.511251 0.0831516 -0.462449 0.719618 286.46 -31.9162 -75.7106 # jumping subtree containing (T0187)L107 jump= 0.678352 -0.149966 0.119079 -0.709344 179.064 136.112 -8.94867 # jumping subtree containing (T0187)K54 jump= -0.00515027 -0.953113 -0.0970487 -0.286584 132.842 -13.9212 -491.527 # generation 119: best score out of 40: T0187.try1-al10-scwrl 68.8296 cost/residue, 225 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 122 ## CrossAndInsert 15 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1214 ## OptSubtree 1431 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I14 jump= 0.913415 0.068585 -0.37682 -0.13775 -148.34 16.4881 -122.216 # jumping subtree containing (T0187)V69 jump= 0.252974 -0.88403 0.392038 -0.0283009 77.102 139.267 -419.053 # jumping subtree containing (T0187)P24 jump= -0.980625 -0.0178037 0.158617 -0.113569 -57.6772 -44.8593 -24.4816 # jumping subtree containing (T0187)L107 jump= -0.899799 0.269598 -0.0648179 0.336864 104.98 186.124 -30.6438 # jumping subtree containing (T0187)L107 jump= 0.524906 0.497993 -0.14675 -0.674493 -108.605 15.8794 -53.4835 # jumping subtree containing (T0187)F129 jump= 0.0271594 0.759875 0.459533 0.459002 242.113 53.5647 -449.629 # jumping subtree containing (T0187)G61 jump= 0.976418 0.12855 0.172465 0.0183947 96.3052 -41.0332 2.19829 # Removing break before 31 # jumping subtree containing (T0187)V43 jump= -0.492626 0.644548 -0.356711 -0.463286 37.631 229.094 -146.633 # jumping subtree containing (T0187)L107 jump= 0.156445 0.570071 -0.14631 0.793182 352.571 -81.8087 -284.096 # jumping subtree containing (T0187)L149 jump= 0.20898 0.110552 -0.182125 0.95443 214.109 -124.746 -64.2888 # generation 120: best score out of 40: T0187.try1-al10-scwrl 68.8296 cost/residue, 225 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 123 ## CrossAndInsert 15 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1225 ## OptSubtree 1449 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.998543 0.0376033 0.00798527 -0.0378748 22.1963 7.08201 0.674087 # jumping subtree containing (T0187)G61 jump= 0.888787 0.385416 0.206552 -0.137289 65.9552 -142.529 -41.5865 # jumping subtree containing (T0187)E106 jump= 0.995426 -0.00763241 -0.0392663 -0.0867567 -2.84562 8.55264 -27.2693 # jumping subtree containing (T0187)E95 jump= -0.625248 0.398129 0.115076 -0.661298 -51.2508 0.00385189 -14.7979 # jumping subtree containing (T0187)D82 jump= -0.0798741 0.419118 0.693084 0.581029 205.923 184.41 -381.768 # jumping subtree containing (T0187)A55 jump= -0.219601 0.445849 -0.202481 0.843798 361.048 15.8763 -175.211 # jumping subtree containing (T0187)P24 jump= -0.557455 -0.825964 -0.0824643 -0.0150731 47.7897 -212.151 -399.571 # generation 121: best score out of 40: T0187.try1-al10-scwrl 68.8296 cost/residue, 225 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 125 ## CrossAndInsert 15 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1239 ## OptSubtree 1467 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.729347 0.518084 0.0369016 0.445287 160.761 238.915 -184.754 # jumping subtree containing (T0187)V136 jump= -0.565689 -0.258668 -0.492493 0.608718 169.686 -143.879 -43.3006 # jumping subtree containing (T0187)H90 jump= -0.341902 0.60482 0.594419 0.404922 127.191 185.152 -410.599 # jumping subtree containing (T0187)A55 jump= -0.087519 -0.861943 -0.262048 -0.425119 217.481 -45.3415 -421.708 # jumping subtree containing (T0187)H90 jump= 0.0117161 0.364845 0.0637824 -0.928807 3.32123 -24.7184 5.08963 # jumping subtree containing (T0187)N36 jump= 0.0230702 0.378226 0.177019 0.908337 348.725 49.6175 -171.632 # jumping subtree containing (T0187)D82 jump= 0.462791 0.650852 0.39979 -0.449872 -8.57388 -233.539 -199.468 # jumping subtree containing (T0187)L149 jump= -0.863224 0.333652 -0.378504 0.0159518 205.724 170.503 -55.9749 # Removing break before 60 # generation 122: best score out of 40: T0187.try1-al10-scwrl 68.8296 cost/residue, 225 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 127 ## CrossAndInsert 15 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1249 ## OptSubtree 1482 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D82 jump= -0.206172 0.730041 -0.397046 -0.516612 -76.9908 233.166 -273.547 # Removing break before 120 # jumping subtree containing (T0187)V69 jump= -0.309135 0.744812 0.162229 -0.568659 -194.089 72.1872 -223.759 # jumping subtree containing (T0187)V69 jump= -0.598062 -0.392885 0.625937 0.310107 -175.675 55.25 -355.108 # jumping subtree containing (T0187)L149 jump= -0.999682 -0.00304857 0.0211331 -0.0133923 -28.1322 18.7423 2.07917 # jumping subtree containing (T0187)L107 jump= 0.796475 0.255884 0.450448 0.311846 264.151 -102.009 -77.6557 # jumping subtree containing (T0187)V43 jump= 0.621849 0.117821 -0.282871 0.720698 99.5077 -206.005 -106.171 # Removing break before 120 # jumping subtree containing (T0187)L149 jump= -0.998971 -0.0368874 0.0243549 -0.0101177 -18.4467 -30.9988 -20.8319 # jumping subtree containing (T0187)L149 jump= 0.986141 0.0222179 0.0690144 -0.149231 55.3931 7.33931 -2.04426 # jumping subtree containing (T0187)S6 jump= 0.390476 -0.880257 -0.00966431 0.269412 -98.3138 155.125 -309.203 # jumping subtree containing (T0187)V69 jump= 0.999532 0.000192839 0.0288093 0.010289 4.91383 -29.226 6.51417 # jumping subtree containing (T0187)N36 jump= 0.881372 0.111251 0.352094 -0.294681 181.802 -34.7988 -12.4351 # generation 123: best score out of 40: T0187.try1-al10-scwrl 68.8295 cost/residue, 225 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 130 ## CrossAndInsert 15 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1254 ## OptSubtree 1498 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.525407 -0.303041 0.558994 -0.565367 71.2687 -218.392 -256.686 # jumping subtree containing (T0187)K54 jump= 0.881401 -0.0795798 -0.430854 0.176536 -164.297 -54.1682 -153.83 # Removing break before 68 # jumping subtree containing (T0187)T100 jump= -0.907325 0.0542449 -0.233233 -0.345575 129.454 20.2217 26.647 # jumping subtree containing (T0187)T97 jump= -0.995946 -0.0187258 -0.0327089 -0.0816772 30.3498 -30.274 24.4622 # jumping subtree containing (T0187)L32 jump= 0.835084 0.252775 0.448242 0.194468 286.456 -124.774 -57.9356 # jumping subtree containing (T0187)V43 jump= 0.997953 -0.0265487 -0.00125639 0.0581648 -0.885155 26.7905 -3.91434 # generation 124: best score out of 40: T0187.try1-al10-scwrl 68.8295 cost/residue, 225 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 134 ## CrossAndInsert 15 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1254 ## OptSubtree 1518 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S6 jump= 0.711217 -0.475925 -0.464819 0.227178 -174.634 58.7588 -234.731 # jumping subtree containing (T0187)P24 jump= -0.481717 0.478651 -0.714179 -0.169677 256.011 236.371 -282.088 # jumping subtree containing (T0187)K54 jump= 0.999794 0.00207203 0.0200319 -0.00265421 26.724 -18.5147 4.29733 # jumping subtree containing (T0187)V69 jump= 0.257412 -0.376168 0.43975 -0.773858 336.764 -70.3953 -215.601 # jumping subtree containing (T0187)K54 jump= -0.940483 -0.303096 0.10417 -0.113022 -33.6061 -151.945 -74.1741 # generation 125: best score out of 40: T0187.try1-al10-scwrl 68.8294 cost/residue, 225 clashes 0.105347 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 137 ## CrossAndInsert 15 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1255 ## OptSubtree 1538 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.175851 0.711058 -0.545471 0.40735 194.09 -111.212 -517.56 # Removing break before 68 # jumping subtree containing (T0187)V69 jump= 0.632571 -0.12146 -0.656331 0.392851 -184.155 -128.112 -289.017 # jumping subtree containing (T0187)T100 jump= -0.937984 0.159394 -0.239534 0.1934 160.728 97.137 2.72308 # jumping subtree containing (T0187)P24 jump= 0.582255 -0.507889 -0.37784 0.510161 -159.765 -11.9689 -190.002 # jumping subtree containing (T0187)G61 jump= 0.026831 -0.38816 0.352725 0.850998 -38.7949 248.286 -109.86 # jumping subtree containing (T0187)L107 jump= -0.345969 -0.586485 0.73203 -0.0217175 -20.7949 -2.87554 -545.898 # jumping subtree containing (T0187)L149 jump= -0.996437 0.004169 0.0801884 -0.0258204 -51.6324 4.57921 1.38847 # jumping subtree containing (T0187)L32 jump= 0.796895 0.506856 0.273073 -0.182993 51.3455 -223.424 -125.238 # jumping subtree containing (T0187)H90 jump= -0.22451 0.162814 0.453202 -0.847169 33.9333 -228.13 -128.455 # jumping subtree containing (T0187)F129 jump= -0.352645 -0.284672 0.837079 -0.306435 87.4121 -153.701 -475.659 # jumping subtree containing (T0187)T97 jump= 0.839303 0.165838 -0.0958885 -0.508796 -68.2238 19.8918 -40.7509 # generation 126: best score out of 40: T0187.try1-al10-scwrl 68.8012 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 142 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1255 ## OptSubtree 1556 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.305803 0.121832 0.840559 -0.430234 38.0771 -215.82 -415.025 # jumping subtree containing (T0187)L107 jump= -0.878151 -0.113325 -0.460628 0.0618941 244.594 -58.6447 -30.9931 # jumping subtree containing (T0187)T97 jump= -0.865363 0.148211 0.00627253 -0.478686 8.71005 -7.3575 25.8152 # jumping subtree containing (T0187)T145 jump= 0.488642 0.286552 -0.0855577 -0.819632 -5.2542 90.8545 -23.6576 # jumping subtree containing (T0187)H90 jump= 0.949909 -0.112071 0.191668 0.219945 84.0555 39.0638 -15.2292 # generation 127: best score out of 40: T0187.try1-al10-scwrl 68.8012 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 142 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1259 ## OptSubtree 1576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.821172 -0.503193 -0.0311431 -0.2674 60.4364 266.156 -156.932 # jumping subtree containing (T0187)G61 jump= 0.49029 -0.026145 -0.842383 0.222088 -66.2014 -128.656 -408.549 # jumping subtree containing (T0187)L149 jump= -0.943187 -0.329693 -0.0322889 0.0256655 -2.12678 -154.606 -70.1029 # jumping subtree containing (T0187)N36 jump= -0.807577 0.54263 0.189398 -0.132288 -115.109 220.395 -175.963 # jumping subtree containing (T0187)L121 jump= 0.891005 0.417226 0.171573 0.050944 85.6545 -181.228 -76.3035 # generation 128: best score out of 40: T0187.try1-al10-scwrl 68.8012 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 149 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1271 ## OptSubtree 1593 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D82 jump= 0.339676 0.311301 0.877243 0.134746 290.548 -62.4899 -374.116 # jumping subtree containing (T0187)N36 jump= 0.0196076 -0.302932 -0.703532 -0.642565 272.196 192.806 -329.78 # jumping subtree containing (T0187)H90 jump= -0.408414 0.164348 0.890884 0.11186 -41.111 36.3765 -467.671 # Removing break before 68 # jumping subtree containing (T0187)G61 jump= -0.177322 -0.213546 -0.394055 -0.876171 299.99 103.556 -147.42 # generation 129: best score out of 40: T0187.try1-al10-scwrl 68.8012 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 151 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1274 ## OptSubtree 1612 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.990975 0.0550641 0.121435 -0.0138052 -40.0446 33.3222 -29.7782 # jumping subtree containing (T0187)G61 jump= 0.952334 -0.0740007 -0.224074 0.193324 -98.6331 -36.9181 -71.4347 # jumping subtree containing (T0187)L149 jump= -0.709489 0.179569 0.681366 0.011009 -141.411 51.1065 -342.182 # Removing break before 89 # jumping subtree containing (T0187)L107 jump= 0.954652 0.142874 -0.244729 0.0912877 -72.4257 -70.9568 -92.0217 # jumping subtree containing (T0187)M1 jump= 0.120227 -0.171853 0.93823 -0.275201 280.278 -51.4213 -437.817 # jumping subtree containing (T0187)L149 jump= -0.948949 0.0859247 0.272549 -0.133526 -112.375 4.86782 -110.071 # jumping subtree containing (T0187)V43 jump= -0.339721 -0.334473 0.372446 -0.796242 234.196 -191.236 -180.077 # jumping subtree containing (T0187)L149 jump= -0.869925 -0.464344 0.0957721 0.135804 -80.3126 -155.523 -138.178 # jumping subtree containing (T0187)A55 jump= -0.976632 0.159059 -0.01188 0.144044 28.0167 90.1751 -22.2695 # jumping subtree containing (T0187)T71 jump= 0.407849 -0.187953 -0.868603 -0.20943 13.5572 102.987 -466.837 # jumping subtree containing (T0187)E95 jump= 0.980553 -0.103137 0.0461943 0.160449 37.3817 5.25254 14.7626 # jumping subtree containing (T0187)L32 jump= 0.266115 0.804836 -0.0283877 -0.529732 -164.475 -50.2858 -248.95 # jumping subtree containing (T0187)L149 jump= -0.165019 0.853964 -0.171662 0.462651 288.776 122.34 -460.74 # generation 130: best score out of 40: T0187.try1-al10-scwrl 68.8012 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 152 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1275 ## OptSubtree 1634 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)L149 jump= 0.338784 0.357725 -0.71644 -0.493935 -87.5786 224.223 -372.369 # jumping subtree containing (T0187)H90 jump= 0.549185 0.097631 -0.293871 -0.776211 -14.5245 186.577 -66.1377 # jumping subtree containing (T0187)H90 jump= -0.408472 0.698527 -0.363788 0.461378 280.129 121.52 -328.981 # Removing break before 68 # jumping subtree containing (T0187)V117 jump= -0.597408 0.122485 0.247579 -0.752865 51.2622 -134.594 -44.4665 # jumping subtree containing (T0187)F129 jump= 0.76755 -0.440551 -0.0687833 0.46049 -56.334 128.018 -50.9844 # jumping subtree containing (T0187)L149 jump= -0.995228 -0.0308077 -0.0904118 0.0199413 41.1324 -34.0714 13.226 # jumping subtree containing (T0187)N36 jump= 0.815123 -0.501231 0.207377 0.203311 38.7856 233.597 -102.845 # jumping subtree containing (T0187)P24 jump= -0.16853 0.163513 0.670605 0.703669 177.051 301.847 -329.027 # generation 131: best score out of 40: T0187.try1-al10-scwrl 68.8012 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 156 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1277 ## OptSubtree 1652 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.913968 -0.0666049 0.309311 0.254074 151.201 50.2216 -0.870431 # jumping subtree containing (T0187)P24 jump= 0.221616 -0.837135 -0.25757 -0.428659 213.99 173.659 -497.826 # jumping subtree containing (T0187)G61 jump= -0.410479 0.041434 -0.83381 -0.366812 300.556 155.085 -273.875 # jumping subtree containing (T0187)L107 jump= -0.749862 -0.192333 0.262834 -0.575876 35.8427 -223.855 -112.3 # Removing break before 120 # jumping subtree containing (T0187)E95 jump= 0.672151 -0.48211 -0.421259 -0.37192 1.15638 243.353 -272.23 # jumping subtree containing (T0187)V69 jump= -0.560356 -0.376336 0.0290556 -0.737244 211.492 -216.868 -130.492 # jumping subtree containing (T0187)K54 jump= 0.890861 -0.195888 0.39175 -0.12053 190.675 99.9769 -27.9439 # jumping subtree containing (T0187)L107 jump= 0.487042 -0.0702915 0.0308989 0.869997 143.72 -45.1257 -15.4256 # jumping subtree containing (T0187)L149 jump= 0.644236 0.447554 -0.524133 -0.331573 -175.641 59.5972 -308.426 # jumping subtree containing (T0187)L149 jump= 0.898716 0.208741 0.385597 0.00717935 203.705 -112.986 -11.9196 # jumping subtree containing (T0187)T145 jump= -0.75753 -0.551123 -0.206453 0.282468 -2.16665 -204.539 -123.302 # jumping subtree containing (T0187)V69 jump= -0.632672 0.143097 0.64932 -0.397031 -143.158 -131.184 -280.057 # jumping subtree containing (T0187)P24 jump= -0.471214 -0.34539 -0.601231 0.545146 164.61 -203.981 -151.807 # generation 132: best score out of 40: T0187.try1-al10-scwrl 68.8011 cost/residue, 217 clashes 0.105347 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 161 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1281 ## OptSubtree 1667 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V43 jump= 0.702992 -0.544384 -0.26806 -0.370933 35.3268 277.912 -232.762 # jumping subtree containing (T0187)A55 jump= 0.297411 -0.487896 0.337898 -0.747883 352.481 51.4836 -231.44 # jumping subtree containing (T0187)P24 jump= 0.941603 0.192696 -0.201906 0.188377 -58.9302 -136.029 -86.6727 # jumping subtree containing (T0187)E95 jump= -0.758536 0.302695 0.358737 0.452002 -25.7646 257.102 -177.856 # jumping subtree containing (T0187)E95 jump= -0.637279 0.678108 0.189762 -0.313106 -137.101 137.812 -206.708 # jumping subtree containing (T0187)H90 jump= -0.986686 -0.0298632 0.159591 0.00945012 -76.8335 -35.9313 -27.7249 # jumping subtree containing (T0187)A55 jump= 0.497214 -0.57652 -0.374001 -0.529647 117.476 280.322 -301.271 # jumping subtree containing (T0187)N36 jump= 0.869759 -0.272967 -0.0598541 0.406726 -48.0957 48.188 -19.2604 # jumping subtree containing (T0187)T145 jump= 0.143972 -0.74768 0.240691 -0.601925 309.814 79.1913 -340.434 # Removing break before 31 # jumping subtree containing (T0187)L121 jump= -0.183799 -0.668789 0.66549 -0.275795 151.943 -22.779 -487.047 # jumping subtree containing (T0187)T145 jump= 0.0191326 -0.392711 0.179514 0.901769 22.9846 130.878 -43.8105 # jumping subtree containing (T0187)T97 jump= -0.123047 -0.471501 -0.741089 0.46188 57.9468 -224.98 -303.015 # jumping subtree containing (T0187)V69 jump= 0.973995 0.134702 -0.122367 0.134961 -31.1213 -99.0423 -51.0285 # jumping subtree containing (T0187)V69 jump= -0.999946 0.00458336 -0.00755344 -0.00544558 -1.66353 -11.0416 20.0547 # jumping subtree containing (T0187)L149 jump= 0.928867 0.157748 -0.292537 0.163535 -95.643 -135.715 -105.563 # generation 133: best score out of 40: T0187.try1-al10-scwrl 68.8011 cost/residue, 217 clashes 0.105347 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 163 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1283 ## OptSubtree 1687 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.358317 -0.357959 0.856674 -0.0978957 9.45986 -33.6877 -491.962 # jumping subtree containing (T0187)E95 jump= 0.80743 -0.200438 -0.263736 -0.488185 -33.6835 194.375 -93.8488 # jumping subtree containing (T0187)A55 jump= -0.929232 -0.188832 0.299094 0.106831 -132.049 -58.4036 -112.697 # Removing break before 68 # jumping subtree containing (T0187)L37 jump= -0.254604 -0.851677 -0.0254321 0.457358 -149.563 -84.0889 -313.116 # jumping subtree containing (T0187)L149 jump= 0.0414214 0.103113 -0.213158 -0.970678 151.765 160.272 -35.8828 # generation 134: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 166 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1707 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L37 jump= 0.511641 -0.105326 -0.692624 0.497395 -54.8794 -207.035 -305.056 # jumping subtree containing (T0187)L32 jump= 0.911229 -0.157219 0.242948 0.293121 111.006 66.5073 -15.1825 # jumping subtree containing (T0187)V69 jump= 0.304207 0.226278 0.796461 0.47107 334.045 113.616 -314.868 # jumping subtree containing (T0187)E106 jump= 0.519781 0.749159 -0.387327 0.13626 20.4 -145.06 -402.526 # jumping subtree containing (T0187)A55 jump= -0.995429 -0.0650807 -0.0679597 0.0163128 49.0321 -22.851 -15.3556 # generation 135: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 167 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1730 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.271651 -0.0792373 -0.607261 0.742402 93.0776 -229.082 -183.315 # jumping subtree containing (T0187)V117 jump= 0.99979 -0.0127803 0.0150399 -0.00549838 -16.0968 -5.32286 15.8758 # jumping subtree containing (T0187)I141 jump= -0.980402 -0.110938 -0.162732 0.00480055 54.6085 -46.283 18.8642 # jumping subtree containing (T0187)L149 jump= -0.975029 -0.144178 0.168387 0.0133229 -95.5928 -67.0369 -65.4451 # jumping subtree containing (T0187)T116 jump= -0.765535 -0.371364 0.178151 0.494274 -101.824 25.2188 -71.2554 # jumping subtree containing (T0187)G61 jump= 0.806721 0.0732925 0.256338 -0.527371 113.52 -27.4134 10.8526 # generation 136: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105347 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 173 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1748 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.949126 0.305845 0.010153 0.0742648 -18.4916 162.079 -54.1908 # jumping subtree containing (T0187)N36 jump= 0.960188 -0.258527 -0.076739 0.0728986 -29.85 94.5366 -62.1327 # jumping subtree containing (T0187)K54 jump= 0.999664 0.0126015 -0.0209962 0.00844659 6.26826 -17.1966 -5.95511 # jumping subtree containing (T0187)M1 jump= 0.462309 -0.444151 -0.0802047 0.763261 -31.5587 16.8608 2.90221 # jumping subtree containing (T0187)L149 jump= 0.529481 -0.285461 -0.122058 -0.789471 178.612 222.794 -76.4356 # generation 137: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105347 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 174 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1771 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.980887 -0.0646685 -0.0167505 0.182751 19.214 -14.4678 15.4668 # jumping subtree containing (T0187)P24 jump= -0.784312 -0.50927 -0.353855 0.0168861 159.002 -231.378 -142.867 # jumping subtree containing (T0187)V69 jump= -0.857542 -0.481769 -0.151511 0.0977976 39.5801 -199.916 -106.472 # jumping subtree containing (T0187)L149 jump= -0.328987 -0.192671 0.855604 -0.350123 80.4258 -137.119 -443.79 # jumping subtree containing (T0187)L149 jump= 0.364175 0.0795402 0.877598 -0.301449 305.836 -153.026 -302.815 # jumping subtree containing (T0187)T71 jump= -0.39652 0.767665 -0.249723 -0.437152 -76.6964 191.912 -245.165 # jumping subtree containing (T0187)L121 jump= 0.263758 0.295976 0.28427 0.872938 353.715 49.1108 -125.209 # jumping subtree containing (T0187)D82 jump= -0.354416 0.320512 -0.807115 0.346738 313.783 12.7478 -329.819 # jumping subtree containing (T0187)T145 jump= 0.58338 -0.537085 0.310393 -0.524274 308.199 178.954 -164.082 # Removing break before 60 # jumping subtree containing (T0187)T145 jump= 0.913255 -0.400689 0.0174013 0.0714892 -16.1436 181.429 -33.7672 # jumping subtree containing (T0187)L121 jump= 0.206418 0.0729476 0.928862 -0.298806 293.759 -129.263 -375.651 # jumping subtree containing (T0187)T100 jump= 0.216588 0.0303007 0.728918 0.64873 277.193 188.423 -207.294 # generation 138: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105347 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 174 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # jumping subtree containing (T0187)S6 jump= -0.511442 0.668724 -0.0538108 0.536973 256.635 239.918 -261.218 # jumping subtree containing (T0187)V68 jump= -0.677152 0.406501 -0.601055 -0.122292 256.762 213.994 -163.442 # jumping subtree containing (T0187)T145 jump= -0.691533 0.279245 -0.566218 0.351002 322.507 63.8851 -124.792 # jumping subtree containing (T0187)S6 jump= 0.92896 -0.00559933 0.0744255 -0.362577 54.6441 62.0762 -9.15741 # jumping subtree containing (T0187)S6 jump= 0.438438 -0.0140497 0.862972 0.250707 359.155 84.6291 -288.442 # jumping subtree containing (T0187)L121 jump= -0.789097 0.316004 0.242733 0.467492 35.2365 234.856 -138.972 # jumping subtree containing (T0187)L121 jump= 0.373209 0.835781 0.33603 0.221966 152.469 -144.779 -410.625 # jumping subtree containing (T0187)G61 jump= -0.969529 0.23595 -0.0241227 0.0613061 16.2647 123.451 -36.6346 # generation 139: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 177 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1816 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)I141 jump= 0.954283 0.278888 -0.0426535 0.0987271 7.88462 -142.444 -78.0794 # jumping subtree containing (T0187)K54 jump= -0.964096 0.227388 0.121547 -0.063562 -67.3025 104.477 -25.6257 # Removing break before 120 # jumping subtree containing (T0187)L149 jump= -0.965391 -0.0953209 0.242722 0.00451522 -120.058 -16.6079 -79.8802 # jumping subtree containing (T0187)F129 jump= 0.649453 0.312005 0.411244 0.558339 347.396 -77.8647 -142.309 # jumping subtree containing (T0187)L107 jump= 0.25142 0.393031 -0.210328 -0.859114 -23.2451 135.149 -28.2689 # jumping subtree containing (T0187)G61 jump= 0.93634 0.0685126 -0.340519 -0.0511878 -111.966 -14.6811 -116.77 # jumping subtree containing (T0187)V69 jump= -0.706178 0.162848 0.608941 0.322466 -79.9163 188.54 -277.132 # jumping subtree containing (T0187)L149 jump= 0.994004 0.0418337 0.0887152 0.048336 44.5171 -35.6388 22.5069 # jumping subtree containing (T0187)T145 jump= 0.34604 -0.109059 -0.910139 0.200025 -1.12748 -101.397 -446.101 # jumping subtree containing (T0187)T101 jump= -0.348325 0.155341 -0.439827 0.813075 306.01 -69.9489 -80.1058 # jumping subtree containing (T0187)L121 jump= -0.885475 0.0372719 -0.312759 -0.341653 207.527 -2.48647 8.41312 # jumping subtree containing (T0187)L149 jump= -0.916473 -0.186152 -0.351425 0.043871 156.136 -112.434 -27.4388 # Removing break before 120 # generation 140: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 180 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1837 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.608562 0.0730171 -0.705907 0.354987 -92.1768 -185.69 -353.288 # jumping subtree containing (T0187)N36 jump= 0.864012 -0.474065 0.0606763 -0.158317 47.0785 226.789 -131.16 # jumping subtree containing (T0187)E106 jump= -0.978185 -0.0172165 -0.0840573 0.189186 27.4138 14.4502 26.8851 # jumping subtree containing (T0187)P24 jump= 0.970103 -0.158822 0.100903 -0.153277 74.8857 113.145 -26.9571 # jumping subtree containing (T0187)T145 jump= -0.89856 -0.229341 -0.0266413 -0.373207 70.761 -157.031 -41.3895 # jumping subtree containing (T0187)V69 jump= -0.481616 -0.513754 -0.690529 -0.165145 312.208 -152.899 -317.615 # jumping subtree containing (T0187)P24 jump= -0.597607 0.305127 0.598741 0.437348 -19.4359 237.14 -332.875 # jumping subtree containing (T0187)V69 jump= -0.882567 0.345365 -0.295679 -0.119884 109.81 170.874 -27.4223 # jumping subtree containing (T0187)E106 jump= 0.805756 0.36026 -0.274722 0.381443 0.612143 -239.76 -195.468 # jumping subtree containing (T0187)G61 jump= -0.910898 -0.246635 -0.292195 -0.155103 147.19 -140.495 -36.3654 # jumping subtree containing (T0187)T145 jump= 0.813584 0.471284 -0.0208626 0.339908 119.947 -216.74 -149.241 # jumping subtree containing (T0187)V117 jump= -0.983811 -0.0364298 0.109213 -0.137336 -54.0017 -52.0008 -41.5445 # jumping subtree containing (T0187)V117 jump= 0.124554 0.234204 0.636944 0.723836 315.676 167.924 -286.637 # jumping subtree containing (T0187)N36 jump= -0.880734 0.0853498 0.370473 0.282441 -86.0031 138.2 -145.032 # jumping subtree containing (T0187)F129 jump= 0.570051 0.126865 0.410798 0.700137 307.346 73.0131 -82.2178 # generation 141: best score out of 40: T0187.try1-al10-scwrl 68.801 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 182 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1859 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.73165 0.538381 -0.142022 0.393275 64.006 -250.065 -222.522 # jumping subtree containing (T0187)E113 jump= 0.760572 -0.445676 -0.436518 0.179874 -159.919 35.2202 -249.646 # Removing break before 120 # jumping subtree containing (T0187)G61 jump= 0.998598 0.0408443 0.0251438 0.0223949 27.8991 -7.89491 7.73635 # jumping subtree containing (T0187)L149 jump= 0.89481 0.312367 -0.318216 -0.021913 -146.946 -98.0494 -174.681 # jumping subtree containing (T0187)M1 jump= 0.888633 -0.247951 0.0571274 0.38156 13.2452 70.5653 -17.8858 # jumping subtree containing (T0187)P24 jump= -0.458695 0.479083 0.376807 0.646603 152.464 285.103 -274.014 # jumping subtree containing (T0187)T145 jump= -0.983966 -0.109758 -0.114537 -0.081514 69.733 -62.7883 -27.573 # jumping subtree containing (T0187)M1 jump= 0.238846 0.522734 0.768929 0.280089 289.555 -58.313 -432.378 # jumping subtree containing (T0187)L107 jump= -0.147953 0.936659 -0.317133 -0.0143944 24.6293 146.649 -458.071 # jumping subtree containing (T0187)V117 jump= 0.987696 0.0311405 0.0870957 -0.126101 59.9159 1.44811 17.233 # generation 142: best score out of 40: T0187.try1-al10-scwrl 68.8009 cost/residue, 217 clashes 0.105349 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 185 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1880 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V117 jump= -0.457536 -0.493571 0.347257 0.65304 -114.491 118.78 -138.746 # jumping subtree containing (T0187)L107 jump= 0.751455 -0.378819 0.517112 0.156224 220.348 174.478 -102.763 # jumping subtree containing (T0187)T100 jump= 0.998665 0.0462918 -0.0199365 0.0112863 -14.0289 -18.2827 -30.1698 # jumping subtree containing (T0187)P24 jump= 0.592154 0.740052 -0.009158 -0.318736 -118.053 -149.917 -258.943 # jumping subtree containing (T0187)G61 jump= 0.722001 0.0899286 -0.217546 -0.650616 -17.0855 147.232 -46.8112 # jumping subtree containing (T0187)S6 jump= 0.250584 0.552429 -0.206488 0.767719 318.867 -111.735 -275.758 # jumping subtree containing (T0187)T145 jump= 0.798035 0.22045 -0.560401 -0.0221961 -155.003 -30.6234 -272.555 # jumping subtree containing (T0187)D82 jump= 0.844739 -0.257955 -0.461661 0.0821238 -146.19 68.0753 -176.138 # jumping subtree containing (T0187)S6 jump= 0.375334 -0.821473 -0.307184 -0.299909 67.9039 212.647 -451.639 # jumping subtree containing (T0187)S6 jump= -0.971936 -0.0784731 -0.0612892 0.213132 16.5136 -3.24641 34.1629 # jumping subtree containing (T0187)G61 jump= 0.156735 -0.423939 -0.490794 0.74487 -44.3181 -193.168 -177.979 # generation 143: best score out of 40: T0187.try1-al10-scwrl 68.8009 cost/residue, 217 clashes 0.105349 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 189 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1284 ## OptSubtree 1900 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.548098 -0.321695 -0.482002 0.603138 -140.592 -129.369 -164.694 # jumping subtree containing (T0187)L121 jump= -0.952638 0.232016 0.0670436 -0.184808 -46.8476 67.3271 -30.9399 # jumping subtree containing (T0187)T145 jump= -0.417142 0.254857 0.435657 -0.755806 -28.9838 -152.495 -87.8961 # Removing break before 31 # jumping subtree containing (T0187)T145 jump= -0.745339 -0.624433 0.222052 0.0724242 -112.464 -170.78 -263.726 # jumping subtree containing (T0187)G61 jump= 0.561705 -0.407847 -0.696072 0.183391 -128.704 -17.3973 -360.102 # jumping subtree containing (T0187)T100 jump= -0.324605 0.398956 0.093559 -0.852474 -49.6839 -6.66507 -11.3198 # Removing break before 68 # jumping subtree containing (T0187)K54 jump= 0.43868 -0.552612 -0.489084 -0.512812 119.378 264.202 -349.373 # jumping subtree containing (T0187)V69 jump= -0.74889 0.536 0.380997 -0.0819095 -148.668 148.446 -248.253 # jumping subtree containing (T0187)L149 jump= 0.719379 0.13654 0.659393 0.170446 347.073 -38.0511 -143.524 # jumping subtree containing (T0187)V43 jump= 0.794368 0.515351 0.216476 0.237762 151.025 -209.174 -155.805 # jumping subtree containing (T0187)L148 jump= -0.720636 0.62317 0.295378 0.0713771 -61.2104 238.943 -267.086 # generation 144: best score out of 40: T0187.try1-al10-scwrl 68.8009 cost/residue, 217 clashes 0.105349 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 195 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 1917 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.586831 0.622252 -0.080161 0.511866 202.082 -199.918 -296.204 # jumping subtree containing (T0187)P24 jump= 0.846507 0.156717 -0.00251141 -0.508783 -5.07803 0.271812 0.98077 # jumping subtree containing (T0187)G61 jump= 0.265436 0.817058 -0.497697 -0.119406 -53.2273 17.083 -452.062 # jumping subtree containing (T0187)D82 jump= 0.349788 0.65157 0.55926 0.374611 265.193 -62.9913 -394.176 # jumping subtree containing (T0187)L107 jump= 0.692653 -0.223451 -0.138316 0.671691 -35.0031 -74.7004 -15.209 # jumping subtree containing (T0187)T145 jump= 0.798311 0.592533 -0.00350586 0.107663 45.4018 -224.452 -228.773 # jumping subtree containing (T0187)L107 jump= 0.737048 0.671747 0.0445521 0.0594335 21.4405 -233.18 -240.647 # jumping subtree containing (T0187)P24 jump= -0.99862 -0.0237806 -0.0449495 -0.0131308 28.1692 -22.5926 28.995 # jumping subtree containing (T0187)E106 jump= 0.920761 0.244327 -0.296304 0.0686059 -119.07 -125.041 -140.976 # jumping subtree containing (T0187)A55 jump= -0.370786 -0.926983 -0.028978 0.0487935 4.35322 -156.801 -432.658 # generation 145: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 202 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 1936 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.342373 0.475436 -0.75472 0.295194 317.67 82.5089 -329.729 # jumping subtree containing (T0187)F129 jump= 0.977776 0.112834 -0.00841283 0.176499 43.523 -108.33 -22.9537 # jumping subtree containing (T0187)H90 jump= 0.699088 -0.211418 -0.399966 0.55372 -129.156 -117.773 -115.892 # jumping subtree containing (T0187)L149 jump= -0.370071 -0.0146157 0.854303 -0.364691 31.1063 -199.895 -413.564 # jumping subtree containing (T0187)P93 jump= -0.653874 0.588834 -0.26575 -0.393829 16.9133 239.611 -140.593 # jumping subtree containing (T0187)T145 jump= -0.206501 0.315382 0.761285 0.527577 159.86 210.121 -419.197 # jumping subtree containing (T0187)T145 jump= 0.572544 0.677444 -0.461359 0.0202697 -79.4695 -100.828 -378.58 # jumping subtree containing (T0187)L121 jump= 0.891501 0.225951 0.228402 -0.319382 84.8915 -61.5914 2.57758 # jumping subtree containing (T0187)T97 jump= -0.865565 0.0342946 -0.258922 0.427295 157.264 44.1036 12.4131 # Removing break before 60 # generation 146: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 204 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 1958 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.246098 0.330218 -0.910033 0.0472378 66.1213 -24.7088 -492.242 # jumping subtree containing (T0187)L32 jump= -0.487947 -0.462165 -0.740476 -0.00275137 288.25 -192.121 -349.456 # jumping subtree containing (T0187)V43 jump= 0.741583 -0.667298 0.0527202 -0.0445881 29.184 267.609 -192.456 # jumping subtree containing (T0187)L121 jump= 0.0378518 0.149286 0.965305 -0.210873 184.193 -108.316 -470.358 # jumping subtree containing (T0187)F129 jump= 0.312306 -0.930176 0.146971 -0.125046 84.679 221.474 -448.115 # jumping subtree containing (T0187)T100 jump= 0.866666 -0.0392759 -0.252602 -0.428415 -37.9789 158.944 -88.4092 # jumping subtree containing (T0187)T145 jump= 0.740165 0.02029 0.191003 0.644408 206.557 -23.4038 6.64671 # generation 147: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 208 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 1978 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V136 jump= 0.742274 0.061598 0.650355 0.149245 309.709 11.5028 -107.333 # jumping subtree containing (T0187)T100 jump= -0.810042 -0.0436069 0.151105 0.564887 -29.6365 98.2517 -39.9176 # jumping subtree containing (T0187)K54 jump= -0.484656 0.542906 0.617278 -0.298881 -139.766 -36.8078 -336.991 # jumping subtree containing (T0187)H90 jump= 0.702199 -0.0794734 -0.521261 0.478421 -95.3076 -145.715 -186.177 # jumping subtree containing (T0187)T31 jump= 0.895951 -0.0231519 0.334547 0.291227 193.466 15.1349 17.3026 # jumping subtree containing (T0187)P24 jump= 0.125324 -0.782712 -0.460004 0.400064 -143.105 -98.0862 -398.993 # jumping subtree containing (T0187)V69 jump= -0.986915 -0.0327016 -0.052087 -0.149052 37.8679 -47.9894 28.7387 # jumping subtree containing (T0187)L149 jump= 0.462981 -0.283375 -0.142548 0.827664 0.459838 -44.4433 5.43697 # jumping subtree containing (T0187)L107 jump= -0.990782 -0.0653952 0.115205 0.028325 -60.1765 -49.4388 -25.1909 # jumping subtree containing (T0187)V43 jump= -0.92443 -0.0985733 -0.305764 -0.205478 175.695 -30.4586 -6.62459 # jumping subtree containing (T0187)T145 jump= 0.0612747 0.0189891 -0.643662 -0.762616 161.839 266.506 -242.826 # generation 148: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 213 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 1997 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N36 jump= -0.839554 0.12471 0.421217 0.319644 -107.236 146.053 -187.17 # jumping subtree containing (T0187)L133 jump= 0.979922 -0.173972 -0.0605313 -0.0763072 -42.9587 86.844 -31.6043 # jumping subtree containing (T0187)F129 jump= -0.638253 -0.213293 -0.504923 0.540548 178.711 -155.93 -41.5973 # jumping subtree containing (T0187)V69 jump= -0.996927 0.0624655 0.0472562 0.00109491 -35.9934 15.2963 -4.10828 # jumping subtree containing (T0187)N36 jump= 0.437582 0.0501023 -0.033242 -0.897166 136.961 83.9246 -23.235 # jumping subtree containing (T0187)T100 jump= -0.919719 -0.129679 -0.282484 0.239799 154.983 -64.0131 12.7895 # jumping subtree containing (T0187)T100 jump= -0.947492 0.240825 -0.107296 0.180969 59.215 154.63 -10.6086 # jumping subtree containing (T0187)I141 jump= 0.104672 0.395141 -0.819419 0.401822 228.93 -91.705 -423.08 # jumping subtree containing (T0187)A55 jump= -0.376821 -0.0324099 0.507226 0.774389 54.2421 260.013 -172.788 # jumping subtree containing (T0187)L32 jump= -0.921313 -0.0727674 0.108239 -0.366295 8.29102 -101.486 -12.3123 # jumping subtree containing (T0187)T145 jump= 0.951356 0.121295 -0.263949 -0.102666 -113.091 -23.4169 -90.7048 # jumping subtree containing (T0187)T145 jump= 0.0260048 0.429001 -0.221863 0.875248 323.864 -38.9648 -173.396 # jumping subtree containing (T0187)P24 jump= 0.974043 0.212833 -0.0646843 -0.0419336 -24.5906 -115.051 -52.052 # jumping subtree containing (T0187)K54 jump= 0.986276 -0.145539 -0.0777025 -0.00627766 -26.297 92.3428 -7.34169 # generation 149: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 219 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2015 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 120 # jumping subtree containing (T0187)T97 jump= -0.179917 0.714738 -0.25502 -0.625895 -107.137 169.545 -181.498 # jumping subtree containing (T0187)E106 jump= 0.977566 0.149752 -0.0228268 -0.146348 -8.45021 -57.795 -14.928 # jumping subtree containing (T0187)T145 jump= 0.999063 -0.0276497 0.0129194 0.0306936 -1.76267 -13.0036 -13.6253 # jumping subtree containing (T0187)T145 jump= 0.600065 0.107354 -0.545718 -0.574968 -89.405 224.837 -197.063 # jumping subtree containing (T0187)E30 jump= -0.0135577 0.485577 -0.251704 0.837064 341.999 -75.5344 -216.068 # Removing break before 68 # Removing break before 60 # jumping subtree containing (T0187)T145 jump= -0.170169 -0.9394 0.0362674 0.29539 -131.205 5.09142 -397.624 # jumping subtree containing (T0187)D82 jump= 0.29151 -0.932065 0.174504 0.1258 -32.2854 190.328 -380.133 # generation 150: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 224 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2034 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H90 jump= 0.0512284 -0.494604 0.171792 0.850429 -71.4287 79.6314 -46.2034 # jumping subtree containing (T0187)A55 jump= 0.287535 -0.800535 0.081891 0.519386 -125.853 139.217 -247.081 # jumping subtree containing (T0187)N36 jump= 0.451196 -0.699721 -0.510934 0.213917 -114.122 21.6274 -412.743 # jumping subtree containing (T0187)S6 jump= -0.999623 -0.00974843 0.00157172 -0.0256206 6.00002 -3.98998 -29.4439 # jumping subtree containing (T0187)L32 jump= 0.846966 0.181391 -0.0223574 -0.499246 -20.0272 22.1483 -22.3361 # jumping subtree containing (T0187)V69 jump= 0.669988 0.592387 -0.0606812 -0.443296 -130.816 -116.3 -142.458 # jumping subtree containing (T0187)T100 jump= -0.480193 0.0782163 -0.638926 -0.595878 262.855 153.288 -157.638 # jumping subtree containing (T0187)D81 jump= -0.0913766 0.718553 0.519244 0.453562 204.003 92.2978 -466.657 # jumping subtree containing (T0187)L37 jump= -0.995861 -0.0341196 -0.0142697 -0.0830294 14.125 -42.8147 25.4584 # Removing break before 68 # jumping subtree containing (T0187)V43 jump= -0.0530222 -0.564469 -0.192378 -0.800971 374.819 58.1163 -256.972 # jumping subtree containing (T0187)T100 jump= 0.96187 0.0768242 0.189826 -0.181301 87.7185 -25.4424 44.6678 # generation 151: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 230 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2052 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.467193 -0.212312 0.104725 -0.851872 251.386 116.074 -50.1761 # jumping subtree containing (T0187)T100 jump= -0.139807 0.0549577 -0.975394 0.161371 242.087 -58.7315 -439.648 # jumping subtree containing (T0187)T145 jump= -0.940991 0.250981 0.122959 0.190855 -31.2347 138.388 -45.3813 # jumping subtree containing (T0187)L121 jump= 0.846661 0.0572516 0.219182 -0.481505 123.492 -3.14824 41.596 # jumping subtree containing (T0187)T145 jump= -0.11133 -0.233427 0.771581 -0.581188 192.154 -202.428 -341.108 # jumping subtree containing (T0187)T145 jump= 0.404929 0.214257 0.493761 -0.739139 158.25 -159.372 -51.8955 # jumping subtree containing (T0187)L107 jump= 0.496304 -0.536829 -0.679487 0.0615989 -85.91 24.6834 -405.989 # jumping subtree containing (T0187)T145 jump= 0.274386 -0.648246 -0.709106 -0.040727 -19.6084 20.4626 -470.644 # Removing break before 68 # jumping subtree containing (T0187)V43 jump= -0.744617 0.446515 0.46966 0.159965 -90.4622 172.459 -302.291 # jumping subtree containing (T0187)T145 jump= -0.585922 0.0157252 0.154719 0.795305 75.8474 196.235 -34.2067 # jumping subtree containing (T0187)L37 jump= 0.982646 -0.0595447 -0.128903 0.119354 -54.6004 -27.4829 -46.1715 # generation 152: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 235 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2071 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L32 jump= 0.614809 -0.512531 0.0514289 0.597225 -59.7375 115.007 -73.4437 # jumping subtree containing (T0187)L149 jump= -0.623914 0.210487 -0.583245 0.475659 318.878 22.4445 -106.818 # jumping subtree containing (T0187)G61 jump= -0.94289 -0.147448 0.27545 0.11552 -111.026 -32.0815 -76.3395 # jumping subtree containing (T0187)G61 jump= 0.49165 -0.5123 0.573985 0.407885 153.266 267.023 -208.223 # jumping subtree containing (T0187)L149 jump= -0.763767 0.103575 -0.0309914 -0.636374 58.4134 -35.8689 10.2311 # jumping subtree containing (T0187)D82 jump= -0.166005 -0.895332 -0.352873 0.215184 -59.7077 -132.163 -394.669 # jumping subtree containing (T0187)L107 jump= -0.998729 0.0439003 -0.0150119 0.0196753 -14.5719 18.3755 -7.44256 # jumping subtree containing (T0187)P93 jump= 0.383407 0.00746213 0.637585 0.668154 276.464 185.345 -156.866 # jumping subtree containing (T0187)V69 jump= 0.931835 -0.320419 -0.134075 0.105064 -86.3347 122.416 -104.497 # jumping subtree containing (T0187)S6 jump= 0.480654 -0.0432898 0.628039 0.610463 334.129 144.695 -151.593 # jumping subtree containing (T0187)L42 jump= -0.94618 0.316581 -0.0553977 0.0380866 50.1471 172.64 -50.1688 # generation 153: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 240 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2090 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.0531831 -0.593573 0.405836 0.692921 -38.1283 220.068 -201.411 # jumping subtree containing (T0187)M1 jump= -0.842291 0.300542 -0.0769755 0.440789 123.671 186.437 -69.7554 # jumping subtree containing (T0187)T100 jump= 0.992652 0.0866904 -0.0226707 0.0813181 13.6174 -50.3989 -13.8569 # jumping subtree containing (T0187)E106 jump= -0.91201 -0.09534 0.356098 -0.179841 -94.7351 -92.166 -142.902 # jumping subtree containing (T0187)T100 jump= -0.951936 0.12741 0.230957 -0.155702 -105.782 -1.50084 -42.6862 # jumping subtree containing (T0187)H90 jump= -0.948937 -0.0319476 -0.0456496 0.310507 36.0308 18.2509 33.4449 # Removing break before 120 # jumping subtree containing (T0187)T100 jump= -0.282685 0.552855 -0.73015 -0.285168 138.779 225.895 -306.11 # jumping subtree containing (T0187)L133 jump= -0.00387349 0.930385 0.00624529 -0.36651 -126.457 53.3078 -347.742 # jumping subtree containing (T0187)L148 jump= 0.708173 -0.625591 0.224194 -0.238463 192.026 261.963 -213.496 # Removing break before 120 # jumping subtree containing (T0187)T97 jump= -0.509451 0.152333 0.643122 0.551043 20.5242 234.002 -278.963 # generation 154: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 244 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2110 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.824083 0.463698 -0.288698 0.150081 -50.3984 -219.66 -221.6 # jumping subtree containing (T0187)H90 jump= 0.994562 0.0760713 0.0259067 0.0662403 34.0837 -46.1254 -3.82766 # jumping subtree containing (T0187)L149 jump= -0.913888 -0.115062 -0.18054 -0.344928 123.074 -80.9845 12.0803 # jumping subtree containing (T0187)S6 jump= 0.374165 -0.0402248 -0.312916 0.872047 130.323 -174.761 -82.2518 # jumping subtree containing (T0187)T97 jump= -0.407458 0.583283 -0.586923 -0.386367 113.305 259.023 -208.375 # jumping subtree containing (T0187)K150 jump= -0.639848 0.0570242 0.72017 -0.262102 -103.96 -115.174 -332.791 # jumping subtree containing (T0187)T145 jump= -0.858741 0.185065 0.37422 -0.297112 -145.578 -24.4356 -138.14 # jumping subtree containing (T0187)V43 jump= 0.3338 -0.539553 -0.725394 0.266953 -88.9063 -97.2381 -396.787 # jumping subtree containing (T0187)D38 jump= 0.995689 0.00400502 0.0870223 -0.0318407 42.1563 3.70031 -15.5418 # jumping subtree containing (T0187)L149 jump= 0.789021 -0.472286 0.250625 -0.30262 192.929 231.283 -96.239 # generation 155: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 248 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2130 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D82 jump= 0.523243 -0.628108 0.5735 -0.0528693 242.191 231.72 -310.839 # jumping subtree containing (T0187)V69 jump= -0.942525 0.0931624 0.256765 -0.192456 -115.438 -26.4038 -107.986 # jumping subtree containing (T0187)T145 jump= 0.997215 0.0695817 -0.0267703 -0.00197617 -13.7882 -53.1676 2.22762 # jumping subtree containing (T0187)G61 jump= 0.62222 -0.255213 -0.643407 -0.365699 -69.0084 208.2 -341.896 # jumping subtree containing (T0187)G61 jump= -0.143219 0.723138 0.334803 0.586912 257.994 137.252 -412.223 # jumping subtree containing (T0187)V69 jump= -0.629798 0.693332 0.142564 0.319876 116.929 259.497 -302.177 # jumping subtree containing (T0187)L149 jump= 0.5688 0.370188 0.71163 -0.181688 271.309 -172.877 -237.73 # jumping subtree containing (T0187)S6 jump= -0.92034 -0.265389 0.250714 0.140304 -135.513 -64.3201 -120.628 # generation 156: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 254 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2148 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.25688 -0.0480766 0.858092 0.442017 297.904 211.449 -373.273 # jumping subtree containing (T0187)T145 jump= -0.0975428 -0.140941 0.930697 0.323146 135.889 175.1 -469.841 # jumping subtree containing (T0187)L149 jump= 0.353884 -0.443271 0.136082 0.812255 -34.3755 129.818 -42.8475 # jumping subtree containing (T0187)P24 jump= 0.560268 -0.264094 -0.310977 0.720866 -70.1198 -96.8 -56.569 # jumping subtree containing (T0187)T97 jump= -0.986393 0.0230185 0.0390593 -0.158029 -23.8359 -25.0551 -12.582 # jumping subtree containing (T0187)T100 jump= 0.744493 0.44737 0.495533 -0.00609871 199.698 -191.758 -130.394 # jumping subtree containing (T0187)H90 jump= -0.185326 -0.485197 0.852403 -0.0603965 85.8292 -18.0329 -505.863 # Removing break before 120 # jumping subtree containing (T0187)T145 jump= -0.435446 0.471996 -0.292322 0.708628 316.352 121.558 -143.68 # jumping subtree containing (T0187)V69 jump= 0.168162 0.752916 0.0816734 0.631006 340.11 -96.7511 -367.99 # generation 157: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 262 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.999791 -0.0145135 0.00253967 0.0141857 3.3457 -8.74831 15.8924 # Removing break before 60 # Removing break before 120 # jumping subtree containing (T0187)L121 jump= -0.0151989 -0.0071266 0.876946 0.480296 181.296 232.842 -413.407 # jumping subtree containing (T0187)L149 jump= 0.103156 -0.0575767 -0.982967 0.140785 144.9 -67.787 -491.024 # jumping subtree containing (T0187)T145 jump= 0.351335 0.186952 0.262393 -0.879069 107.447 -48.0516 14.0082 # jumping subtree containing (T0187)T145 jump= 0.59914 -0.788579 -0.137355 -0.017557 -39.8208 258.882 -313.214 # jumping subtree containing (T0187)L149 jump= -0.28885 0.751717 -0.542835 0.238366 253.879 139.89 -430.544 # generation 158: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 267 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2183 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.855727 -0.450025 0.149106 0.207305 44.9795 205.299 -25.7841 # jumping subtree containing (T0187)L149 jump= 0.447585 -0.530649 -0.424103 0.581563 -131.27 -80.6408 -195.269 # jumping subtree containing (T0187)T145 jump= 0.426053 0.891076 0.121686 0.0982616 81.068 -157.601 -431.939 # jumping subtree containing (T0187)D82 jump= 0.127849 0.796146 0.491134 0.329537 201.977 -44.6718 -466.316 # jumping subtree containing (T0187)L121 jump= 0.993172 0.00485117 0.0494633 0.10554 19.6972 -16.1476 -11.9404 # jumping subtree containing (T0187)H90 jump= 0.17971 -0.478958 -0.411777 -0.754151 250.315 210.019 -252.685 # jumping subtree containing (T0187)Q110 jump= -0.831876 0.410213 -0.155766 0.33977 174.743 231.659 -85.4005 # jumping subtree containing (T0187)M1 jump= 0.885378 0.412587 -0.123526 0.174981 -4.86439 -210.943 -162.029 # jumping subtree containing (T0187)T145 jump= 0.193128 0.450564 0.856968 -0.15906 153.944 -154.987 -417.206 # Removing break before 68 # jumping subtree containing (T0187)D82 jump= 0.978362 0.100741 0.0276526 0.178591 3.98537 -74.6692 -2.79377 # generation 159: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 272 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2202 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V43 jump= -0.63654 -0.739273 0.0580651 0.211945 -100.099 -188.413 -275.33 # jumping subtree containing (T0187)S6 jump= 0.965877 0.208396 0.0301 -0.150818 12.6815 -53.4855 -35.0671 # Removing break before 68 # jumping subtree containing (T0187)T145 jump= -0.540557 0.234676 0.314403 0.744228 120.774 250.161 -132.707 # jumping subtree containing (T0187)T97 jump= -0.990864 0.127108 -0.0437863 -0.0107119 11.558 81.5316 16.7556 # jumping subtree containing (T0187)M1 jump= 0.88021 -0.102252 0.431959 -0.167885 247.257 52.6277 -24.8612 # jumping subtree containing (T0187)N96 jump= 0.757719 0.52128 0.275907 0.279294 205.747 -219.296 -167.843 # generation 160: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 274 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2224 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L121 jump= -0.611432 0.785808 0.0900418 -0.0234205 -38.1716 237.368 -308.408 # jumping subtree containing (T0187)N36 jump= -0.53373 -0.723872 0.103028 -0.424884 162.164 -257.005 -332.189 # jumping subtree containing (T0187)F129 jump= 0.33027 0.611624 0.451162 0.559723 322.951 -3.45975 -353.954 # jumping subtree containing (T0187)D115 jump= 0.999671 0.0227854 -0.0116631 0.0016608 -10.7206 -29.0833 -23.5837 # jumping subtree containing (T0187)T145 jump= -0.666261 0.665439 -0.308089 0.13553 176.002 292.464 -219.548 # jumping subtree containing (T0187)N36 jump= 0.0477198 0.341675 0.283257 -0.894844 -0.326578 -124.407 -44.0682 # Removing break before 68 # jumping subtree containing (T0187)L121 jump= -0.607725 -0.61953 0.0232283 0.4963 -110.892 -69.6826 -149.509 # jumping subtree containing (T0187)T145 jump= 0.952585 -0.229764 0.0336467 0.196618 -5.09583 78.6256 12.6053 # jumping subtree containing (T0187)T145 jump= 0.901191 -0.0213306 -0.327859 0.282681 -100.964 -59.3937 -100.883 # jumping subtree containing (T0187)T145 jump= -0.21383 -0.191796 -0.570112 0.769716 146.052 -185.659 -130.796 # generation 161: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 280 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= 0.995429 0.0420973 -0.0433679 -0.073948 -36.3836 3.20364 -11.6309 # jumping subtree containing (T0187)T100 jump= 0.975159 0.0588628 -0.153861 -0.148077 -72.1902 2.15275 -29.9867 # jumping subtree containing (T0187)T145 jump= -0.0778302 -0.143803 0.181184 -0.969761 239.646 -51.0658 -28.789 # jumping subtree containing (T0187)H90 jump= -0.620094 -0.289378 -0.1247 0.718466 -0.56144 -56.0588 16.7239 # jumping subtree containing (T0187)M1 jump= -0.996008 -0.0808962 -0.0353325 -0.0132602 10.0512 -29.8858 -22.3292 # jumping subtree containing (T0187)L149 jump= -0.0213719 0.317626 0.915392 -0.246403 98.5885 -174.692 -451.549 # generation 162: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 287 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2259 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= -0.743525 -0.531764 0.18799 0.359246 -131.771 -62.8804 -139.041 # jumping subtree containing (T0187)V69 jump= 0.524673 0.77349 0.190655 -0.300138 -59.5064 -239.065 -235.541 # jumping subtree containing (T0187)L121 jump= 0.919121 -0.155076 0.0292547 0.360988 23.1539 -3.44279 13.4718 # jumping subtree containing (T0187)L32 jump= -0.9406 -0.214364 -0.234801 -0.119117 133.849 -102.451 -19.2664 # jumping subtree containing (T0187)L107 jump= 0.214187 -0.549709 -0.799277 0.114454 -9.27931 -93.0241 -474.843 # jumping subtree containing (T0187)N36 jump= 0.0811138 -0.230609 -0.663321 0.70728 67.9613 -278.444 -240.269 # jumping subtree containing (T0187)T145 jump= -0.0848335 0.771129 0.3129 0.547957 277.619 121.678 -436.769 # jumping subtree containing (T0187)V69 jump= -0.113872 0.129423 -0.534538 -0.827376 168.961 209.034 -110.73 # jumping subtree containing (T0187)V69 jump= 0.935626 0.27303 -0.0374487 -0.220582 -38.3661 -65.6253 -32.0202 # jumping subtree containing (T0187)G61 jump= -0.832137 -0.193596 -0.413734 0.314473 175.119 -124.991 -54.0672 # jumping subtree containing (T0187)A55 jump= 0.858617 0.286217 -0.311811 0.289191 -43.4182 -187.848 -156.124 # jumping subtree containing (T0187)G61 jump= 0.912572 0.356609 0.200037 0.00529249 112.563 -172.08 -56.3657 # jumping subtree containing (T0187)T145 jump= 0.448622 0.166111 0.362821 0.799691 317.379 38.9746 -79.1411 # jumping subtree containing (T0187)D82 jump= 0.978111 -0.0247627 0.203318 -0.0367006 108.435 -8.68257 5.54628 # generation 163: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 297 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2273 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.851917 -0.0261646 0.313842 0.418398 -84.1103 136.304 -104.15 # jumping subtree containing (T0187)L107 jump= -0.748662 -0.598511 -0.137277 0.24989 -1.11163 -225.55 -121.896 # jumping subtree containing (T0187)T145 jump= -0.691826 0.63958 -0.133846 0.307245 148.445 273.165 -188.914 # jumping subtree containing (T0187)S6 jump= -0.388521 -0.781633 0.480685 0.0839273 -54.1221 -20.7563 -460.431 # jumping subtree containing (T0187)T100 jump= -0.999893 -0.00791209 0.0119281 0.00293092 11.3465 7.03283 -14.433 # jumping subtree containing (T0187)G61 jump= -0.512651 -0.756655 -0.373584 0.15842 51.0182 -237.028 -306.69 # jumping subtree containing (T0187)I141 jump= 0.616145 0.264874 -0.496823 0.550794 50.068 -228.341 -207.973 # jumping subtree containing (T0187)L149 jump= -0.620568 0.613284 -0.432522 0.227382 263.801 257.841 -223.149 # Removing break before 68 # jumping subtree containing (T0187)T100 jump= -0.999373 -0.00834808 0.0040779 0.0341524 4.20391 18.8841 -13.5123 # generation 164: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 300 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2294 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= 0.408305 -0.786483 -0.38396 0.259437 -124.875 55.0404 -343.167 # jumping subtree containing (T0187)T145 jump= 0.556948 0.555425 -0.28954 -0.545416 -163.057 40.7772 -196.17 # jumping subtree containing (T0187)T97 jump= -0.739645 0.365535 -0.32513 -0.462168 104.547 155.862 -31.7062 # jumping subtree containing (T0187)T100 jump= -0.926176 -0.0194304 -0.141904 0.348833 71.6374 49.0361 3.1412 # jumping subtree containing (T0187)M1 jump= -0.844714 0.31401 -0.432768 0.0238451 241.863 169.616 -61.3147 # jumping subtree containing (T0187)E106 jump= 0.923658 0.00810669 -0.261339 0.280165 -89.1054 -93.6774 -95.8551 # jumping subtree containing (T0187)T100 jump= 0.691287 -0.311252 0.108063 -0.643091 198.524 171.546 -48.9224 # jumping subtree containing (T0187)V69 jump= 0.783496 0.566188 0.0490382 -0.251318 -37.4194 -193.89 -105.466 # jumping subtree containing (T0187)L107 jump= -0.610469 0.589746 -0.444417 0.286392 272.235 231.84 -219.878 # jumping subtree containing (T0187)T145 jump= -0.69036 0.438977 -0.383684 -0.428357 127.163 245.927 -59.0013 # jumping subtree containing (T0187)V69 jump= -0.987497 0.118688 -0.0916644 -0.0485848 30.9219 57.5258 19.8547 # jumping subtree containing (T0187)S6 jump= -0.603076 -0.75385 -0.226426 0.129384 6.38289 -255.112 -269.454 # jumping subtree containing (T0187)V69 jump= -0.722341 -0.161233 0.342834 -0.578526 -15.2915 -228.988 -144.922 # generation 165: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 307 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2311 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T145 jump= -0.188618 -0.959122 0.210731 0.0100629 -2.82831 -14.4264 -467.987 # jumping subtree containing (T0187)P24 jump= -0.904892 -0.282003 -0.120768 0.29506 23.7397 -98.9344 -37.372 # jumping subtree containing (T0187)P24 jump= -0.365177 0.82253 -0.279217 -0.334854 -29.2989 256.027 -313.038 # jumping subtree containing (T0187)L107 jump= -0.859739 0.0661173 -0.17653 -0.474673 134.712 -31.262 22.882 # jumping subtree containing (T0187)L105 jump= -0.367874 0.869522 -0.155931 0.290321 172.233 195.434 -398.754 # jumping subtree containing (T0187)L121 jump= 0.991984 -0.0907581 -0.0870989 0.0119851 -35.8631 46.6362 -35.6994 # jumping subtree containing (T0187)L149 jump= 0.970416 -0.231051 -0.00556259 0.069835 -5.36312 101.433 -20.7633 # jumping subtree containing (T0187)V69 jump= -0.106413 0.0254124 -0.900598 -0.420659 225.107 182.675 -403.173 # jumping subtree containing (T0187)L107 jump= -0.159427 0.725045 -0.522156 0.419818 304.107 70.443 -413.75 # jumping subtree containing (T0187)P24 jump= -0.559872 0.461736 0.616491 -0.305422 -178.946 -19.1928 -357.599 # jumping subtree containing (T0187)H90 jump= -0.372406 0.616627 0.65018 -0.241559 -107.527 -51.4053 -426.607 # jumping subtree containing (T0187)T145 jump= -0.37093 0.302511 -0.135468 -0.867494 59.2704 99.9462 24.0975 # jumping subtree containing (T0187)T145 jump= -0.998101 -0.0407184 0.0460053 -0.00452219 -17.3369 3.98213 -25.9073 # jumping subtree containing (T0187)L32 jump= 0.952773 0.152752 0.172005 0.198253 107.933 -125.4 -9.15159 # jumping subtree containing (T0187)L107 jump= -0.957681 -0.169845 -0.16163 0.166962 70.9887 -61.3591 0.871068 # generation 166: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 317 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.651697 -0.549991 0.315025 -0.416606 283.813 189.324 -189.914 # jumping subtree containing (T0187)L32 jump= -0.989412 -0.132184 0.0195309 0.0566622 -12.8252 -35.264 6.20413 # jumping subtree containing (T0187)T100 jump= 0.999732 -0.00248446 -0.0183302 0.0139343 12.8448 16.149 0.743218 # jumping subtree containing (T0187)A55 jump= -0.738318 -0.28979 -0.525068 -0.308566 325.15 -76.7765 -134.614 # jumping subtree containing (T0187)H90 jump= 0.194158 0.963274 -0.0186651 -0.184549 -75.1159 -90.2793 -408.658 # jumping subtree containing (T0187)V69 jump= 0.0943231 0.324565 0.13975 0.930715 312.227 22.4627 -111.962 # jumping subtree containing (T0187)P24 jump= 0.379042 -0.00627026 -0.772568 -0.509339 -10.2524 255.543 -381.283 # jumping subtree containing (T0187)L121 jump= 0.795998 0.110169 -0.594186 0.0345499 -151.882 -56.9224 -300.134 # jumping subtree containing (T0187)T145 jump= 0.506481 -0.824621 -0.148745 -0.203354 26.0046 259.566 -359.404 # jumping subtree containing (T0187)T145 jump= -0.261429 -0.298982 -0.353609 -0.846892 338.466 97.4773 -142.686 # Removing break before 68 # jumping subtree containing (T0187)T145 jump= 0.0161554 0.55121 -0.615844 0.56271 301.738 -65.649 -391.493 # jumping subtree containing (T0187)V69 jump= -0.1923 0.551529 0.443696 0.679684 262.056 190.728 -342.269 # generation 167: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 323 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2343 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.420725 0.233265 0.333408 0.810813 178.654 241.215 -176.216 # jumping subtree containing (T0187)S6 jump= -0.409795 0.712998 -0.0623564 -0.56552 -107.832 193.223 -149.738 # jumping subtree containing (T0187)M1 jump= 0.465954 0.633135 -0.198104 0.585475 239.478 -203.359 -312.765 # jumping subtree containing (T0187)G61 jump= -0.938573 0.138559 0.267317 -0.168594 -125.905 25.7302 -93.9165 # jumping subtree containing (T0187)T145 jump= -0.987913 0.0248783 0.152944 -0.00413498 -80.3925 14.5856 -30.0633 # jumping subtree containing (T0187)T145 jump= 0.63899 -0.620195 -0.354613 -0.28513 -20.6147 236.266 -312.122 # Removing break before 60 # Removing break before 68 # jumping subtree containing (T0187)S6 jump= -0.915295 -0.173321 -0.082865 -0.354017 133.774 -115.61 -18.5874 # jumping subtree containing (T0187)G61 jump= -0.425186 -0.623093 0.194807 -0.626915 253.068 -226.659 -309.804 # jumping subtree containing (T0187)T97 jump= 0.203314 0.775264 -0.516336 -0.301705 -93.5348 101.888 -391.696 # jumping subtree containing (T0187)D82 jump= -0.00528675 -0.989277 -0.0778233 -0.123479 86.6944 12.9516 -504.394 # jumping subtree containing (T0187)L107 jump= -0.821878 -0.259545 0.459791 -0.213881 -116.679 -150.034 -238.525 # jumping subtree containing (T0187)T100 jump= 0.999768 0.00775396 -0.0158467 0.0123173 -6.47799 -27.4979 -2.51131 # jumping subtree containing (T0187)L107 jump= -0.88972 0.101446 0.377497 0.235804 -129.758 105.003 -137.449 # jumping subtree containing (T0187)V69 jump= 0.230754 -0.0833134 0.138287 -0.959525 234.548 -26.56 -8.11624 # generation 168: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 329 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2361 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= 0.785723 -0.267433 0.516741 0.209996 233.873 159.006 -48.8748 # jumping subtree containing (T0187)V69 jump= 0.0697623 -0.701951 -0.673876 -0.219748 167.834 9.57744 -496.316 # jumping subtree containing (T0187)H90 jump= 0.817243 -0.526662 0.233919 0.00474165 104.446 230.829 -104.059 # jumping subtree containing (T0187)I141 jump= -0.687633 0.658095 -0.267627 0.149825 141.74 255.358 -187.824 # jumping subtree containing (T0187)L107 jump= -0.863569 -0.347091 -0.228399 -0.285673 152.198 -173.686 -66.2411 # Removing break before 68 # jumping subtree containing (T0187)T145 jump= -0.591191 0.646262 -0.310898 -0.369028 63.176 252.325 -156.242 # jumping subtree containing (T0187)F129 jump= 0.991532 0.030436 -0.0511901 0.115405 -11.9016 -35.1161 4.58815 # Removing break before 120 # jumping subtree containing (T0187)F129 jump= -0.868727 -0.490391 -0.0665453 0.0200582 25.2335 -205.503 -164.643 # jumping subtree containing (T0187)E106 jump= 0.482061 -0.304909 0.271825 0.775086 108.658 111.319 14.8528 # generation 169: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 337 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M1 jump= -0.814893 0.0765725 -0.176436 -0.54677 144.673 -14.0601 35.2887 # jumping subtree containing (T0187)H90 jump= 0.642214 -0.134803 -0.578895 0.484015 -117.208 -161.731 -192.884 # jumping subtree containing (T0187)T145 jump= -0.178587 -0.0587762 -0.686965 -0.701948 277.395 216.2 -252.012 # jumping subtree containing (T0187)T145 jump= 0.997181 0.0194037 0.0419503 0.0591123 32.1427 -8.22127 19.6049 # jumping subtree containing (T0187)V69 jump= -0.119103 -0.18136 -0.681885 0.698538 144.672 -265.372 -196.007 # jumping subtree containing (T0187)L121 jump= -0.492032 0.431832 0.244364 0.71534 168.126 260.892 -196.517 # jumping subtree containing (T0187)M1 jump= -0.538598 -0.243743 0.440324 -0.675734 135.643 -271.94 -211.948 # jumping subtree containing (T0187)V69 jump= 0.884259 -0.223265 -0.0310111 -0.408995 78.3466 164.896 -66.9959 # jumping subtree containing (T0187)V69 jump= 0.809124 -0.0756416 0.582652 -0.0106692 279.258 22.4439 -105.025 # jumping subtree containing (T0187)T100 jump= 0.104506 -0.0692766 0.855902 -0.501708 242.424 -189.155 -317.106 # jumping subtree containing (T0187)V69 jump= -0.563677 -0.256925 -0.187086 0.762402 74.5373 -61.6877 -6.42499 # generation 170: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 345 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2393 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= 0.203832 0.525335 0.819245 0.106361 229.304 -104.946 -427.338 # jumping subtree containing (T0187)L107 jump= -0.968966 0.0776333 0.193533 -0.132752 -58.5039 -5.28725 -64.4951 # jumping subtree containing (T0187)T145 jump= 0.818332 0.198368 -0.00913215 -0.539351 -15.9009 12.3307 11.439 # jumping subtree containing (T0187)I141 jump= 0.00315899 -0.954869 0.29551 0.0298111 28.5668 125.543 -471.594 # jumping subtree containing (T0187)T100 jump= -0.516504 -0.300169 -0.471262 0.648871 156.075 -174.566 -69.7401 # jumping subtree containing (T0187)D82 jump= -0.689689 0.51178 -0.267157 0.437079 251.996 201.1 -174.232 # jumping subtree containing (T0187)V69 jump= -0.98714 0.140645 0.0636922 0.0414239 -34.5717 86.3978 -35.6652 # jumping subtree containing (T0187)L107 jump= 0.31191 -0.888794 -0.216394 0.25677 -120.135 69.5691 -357.173 # jumping subtree containing (T0187)L107 jump= 0.836458 0.0347156 0.332778 0.43404 220.225 -13.7522 14.9075 # generation 171: best score out of 40: T0187.try1-al10-scwrl 68.8007 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 349 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2413 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.833033 0.166862 0.469852 -0.23969 -164.328 -15.6699 -187.111 # jumping subtree containing (T0187)P24 jump= -0.629582 -0.350986 0.672481 0.167944 -156.999 17.6576 -392.212 # jumping subtree containing (T0187)T145 jump= 0.939145 0.213709 0.264164 -0.0505262 147.375 -102.014 -5.98222 # jumping subtree containing (T0187)T100 jump= 0.574331 0.301499 -0.760466 0.0305429 -85.903 -47.9344 -403.809 # jumping subtree containing (T0187)T100 jump= -0.13491 -0.480636 0.678755 0.538591 -22.684 220.793 -280.761 # jumping subtree containing (T0187)G61 jump= 0.947887 0.207148 0.200889 -0.135068 105.249 -115.618 -9.40018 # jumping subtree containing (T0187)V69 jump= 0.201433 0.631564 -0.295753 0.687809 275.426 -172.109 -350.664 # jumping subtree containing (T0187)L107 jump= -0.577363 0.61372 0.538368 -0.0126256 -105.451 134.87 -379.963 # jumping subtree containing (T0187)H90 jump= 0.472186 -0.76253 0.440099 -0.0436008 148.738 248.731 -360.299 # jumping subtree containing (T0187)L107 jump= 0.725306 -0.192082 0.655705 0.0841825 334.47 91.868 -108.862 # jumping subtree containing (T0187)T145 jump= -0.645899 0.366469 0.668791 -0.0351297 -143.579 73.8752 -338.908 # jumping subtree containing (T0187)T145 jump= 0.482344 0.411055 -0.742109 -0.218294 -91.1854 73.3327 -401.183 # jumping subtree containing (T0187)L149 jump= 0.605383 0.494577 -0.582169 0.223574 -13.4839 -189.645 -387.621 # generation 172: best score out of 40: T0187.try1-al10-scwrl 68.8002 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 356 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2430 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.910617 -0.378027 0.136246 -0.096489 84.6526 203.652 -40.6529 # jumping subtree containing (T0187)I141 jump= 0.14159 -0.823241 -0.399747 0.377398 -134.327 -58.3146 -330.196 # jumping subtree containing (T0187)L149 jump= -0.90129 0.102193 -0.344581 0.241861 181.704 53.6427 -17.716 # jumping subtree containing (T0187)S6 jump= 0.867085 0.427918 0.00368213 0.255024 79.1151 -219.391 -151.577 # jumping subtree containing (T0187)L107 jump= 0.966303 -0.123613 0.191736 -0.119232 101.5 67.4764 -11.2281 # jumping subtree containing (T0187)G61 jump= 0.994432 0.0486794 -0.0814947 0.0457634 -20.8963 -14.5147 -20.4887 # jumping subtree containing (T0187)M1 jump= -0.961222 -0.191251 0.153795 -0.125785 -72.2177 -122.287 -75.1443 # generation 173: best score out of 40: T0187.try1-al10-scwrl 68.8002 cost/residue, 217 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 363 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2447 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.794431 0.490708 0.352773 0.0603038 167.75 -204.094 -170.551 # jumping subtree containing (T0187)H90 jump= 0.980691 -0.193174 -0.0167592 -0.025468 -22.3391 84.8191 -10.2744 # jumping subtree containing (T0187)L107 jump= -0.662068 0.556483 0.023026 -0.501459 -63.0237 138.392 -64.3912 # Removing break before 60 # jumping subtree containing (T0187)G61 jump= -0.961712 -0.10584 -0.221673 -0.121531 131.052 -69.0952 -28.0727 # jumping subtree containing (T0187)F129 jump= -0.399102 0.0812208 -0.555426 -0.724999 258.764 213.999 -134.379 # jumping subtree containing (T0187)T145 jump= 0.977607 0.0899262 0.173121 -0.0789082 81.8447 -19.502 -12.6756 # jumping subtree containing (T0187)T97 jump= 0.772325 -0.533494 0.236878 0.250576 55.9909 232.703 -111.71 # Removing break before 68 # jumping subtree containing (T0187)H90 jump= 0.666068 0.130848 -0.655829 -0.330333 -209.304 116.733 -334.3 # jumping subtree containing (T0187)S6 jump= -0.956638 -0.245108 -0.153465 0.0348417 53.6352 -121.687 -26.2923 # Removing break before 60 # jumping subtree containing (T0187)T97 jump= -0.370369 0.577326 -0.700817 0.195899 274.194 106.748 -367.733 # jumping subtree containing (T0187)T100 jump= -0.987416 0.0753686 -0.0368082 -0.134065 7.05912 21.8696 8.45689 # jumping subtree containing (T0187)S6 jump= -0.0045211 0.255423 0.588589 -0.767008 87.3681 -241.121 -138.522 # generation 174: best score out of 40: T0187.try1-al10-scwrl 68.8002 cost/residue, 217 clashes 0.105349 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 366 ## CrossAndInsert 15 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2468 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L32 jump= -0.170886 -0.566387 0.625178 -0.509073 269.555 -122.38 -422.864 # jumping subtree containing (T0187)E106 jump= 0.988719 -0.128024 -0.0538143 -0.0561215 -19.562 47.4755 -18.799 # jumping subtree containing (T0187)H90 jump= -0.708616 -0.571429 -0.169038 0.377833 -55.5596 -183.514 -143.918 # jumping subtree containing (T0187)L37 jump= -0.833621 -0.359442 0.231353 0.349791 -130.311 -18.9501 -87.6906 # jumping subtree containing (T0187)T145 jump= -0.909101 -0.17601 0.320148 -0.200154 -87.1142 -148.504 -111.551 # jumping subtree containing (T0187)V43 jump= 0.205439 -0.261699 -0.884103 0.32813 18.3408 -172.178 -397.926 # jumping subtree containing (T0187)D82 jump= -0.93392 -0.250006 0.183366 -0.177955 -60.1056 -145.349 -74.7125 # jumping subtree containing (T0187)L42 jump= 0.889464 -0.43067 0.152683 0.00803 84.9012 222.972 -51.9161 # jumping subtree containing (T0187)L149 jump= 0.239817 -0.154747 -0.855064 0.432904 12.4014 -211.328 -384.209 # jumping subtree containing (T0187)P24 jump= -0.604718 -0.207209 0.434381 -0.634581 93.46 -260.921 -206.152 # jumping subtree containing (T0187)L42 jump= 0.98804 -0.138871 -0.0518725 -0.0424417 -36.4055 63.766 -7.8759 # jumping subtree containing (T0187)T100 jump= 0.955154 0.289997 0.0111424 0.0588039 -6.5679 -134.638 -46.3078 # jumping subtree containing (T0187)S6 jump= 0.434344 -0.707849 -0.268807 0.487892 -159.426 94.4638 -199.787 # generation 175: best score out of 40: T0187.try1-al10-scwrl 68.7902 cost/residue, 215 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 371 ## CrossAndInsert 15 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1285 ## OptSubtree 2486 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= 0.321294 0.864659 0.328357 0.203264 164.887 -108.583 -447.786 # jumping subtree containing (T0187)L148 jump= -0.228078 0.261575 -0.0110245 -0.937783 29.5624 85.3555 31.2396 # jumping subtree containing (T0187)P24 jump= -0.701124 0.592306 -0.273061 0.288159 232.714 250.81 -207.709 # jumping subtree containing (T0187)T97 jump= 0.711673 0.331726 -0.545934 0.292295 -58.2838 -173.091 -271.651 # jumping subtree containing (T0187)V69 jump= -0.937092 0.0467821 0.205612 0.278199 -60.9488 90.8143 -69.8625 # jumping subtree containing (T0187)V69 jump= 0.776677 0.0578354 -0.547902 0.305339 -125.683 -126.659 -200.464 # jumping subtree containing (T0187)T145 jump= -0.987231 -0.113383 -0.0201384 0.110064 -7.33908 -15.99 -2.0091 # jumping subtree containing (T0187)T145 jump= -0.943473 0.20963 -0.171056 -0.191451 77.7391 82.4323 -2.21942 # jumping subtree containing (T0187)V68 jump= -0.321588 0.000595617 0.841786 0.433562 27.7705 225.958 -412.888 # jumping subtree containing (T0187)T97 jump= 0.340133 -0.811809 0.370618 0.296509 1.5374 250.216 -318.209 # jumping subtree containing (T0187)F129 jump= 0.631266 -0.508925 -0.278414 -0.514766 65.6759 330.375 -246.673 # generation 176: best score out of 40: T0187.try1-al10-scwrl 68.7902 cost/residue, 215 clashes 0.105348 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 373 ## CrossAndInsert 15 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1293 ## OptSubtree 2509 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G61 jump= -0.432023 0.41333 -0.170277 0.783275 297.907 129.557 -114.974 # jumping subtree containing (T0187)T145 jump= 0.945343 0.314903 -0.083359 -0.0146198 -29.0573 -119.459 -102.577 # jumping subtree containing (T0187)L133 jump= 0.978145 0.0275458 0.130679 0.15936 61.8408 -15.4236 2.96838 # jumping subtree containing (T0187)H90 jump= -0.841869 -0.028806 0.236956 -0.484023 -4.64097 -124.843 -48.1233 # jumping subtree containing (T0187)S6 jump= -0.345053 0.257956 -0.0246839 -0.902102 81.8305 102.432 12.9239 # jumping subtree containing (T0187)F129 jump= 0.890425 0.349958 -0.0670732 0.28315 80.929 -185.547 -141.699 # jumping subtree containing (T0187)V43 jump= 0.978319 -0.0818704 0.134528 -0.134505 68.0449 59.2943 26.8318 # jumping subtree containing (T0187)G61 jump= -0.345724 0.445802 -0.181948 -0.805376 -28.7736 136.535 -49.3534 # jumping subtree containing (T0187)V69 jump= 0.600997 -0.00356323 -0.462141 -0.652086 -29.4251 225.009 -143.759 # jumping subtree containing (T0187)K54 jump= 0.899284 0.129571 -0.281269 0.308848 -42.223 -129.822 -119.95 # jumping subtree containing (T0187)I141 jump= -0.995833 -0.0465665 -0.0536053 0.0572219 34.1514 -8.96155 -1.60754 # jumping subtree containing (T0187)V69 jump= -0.776244 0.125503 -0.00382219 -0.617802 68.2246 -40.9927 4.85327 # jumping subtree containing (T0187)K54 jump= 0.853405 -0.509701 -0.102616 -0.0370878 -20.8221 239.478 -123.755 # jumping subtree containing (T0187)V69 jump= -0.326871 0.491125 0.394567 0.704463 183.398 243.625 -288.291 # jumping subtree containing (T0187)V69 jump= -0.745797 -0.540474 0.126313 -0.368402 95.8373 -247.632 -215.415 # jumping subtree containing (T0187)K150 jump= -0.630452 -0.250897 0.589089 -0.43881 -23.4999 -201.214 -300.384 # generation 177: best score out of 40: T0187.try1-al10-scwrl 68.6562 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 376 ## CrossAndInsert 15 ## ReduceClash 77 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1298 ## OptSubtree 2533 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= 0.654212 0.329825 0.603059 0.315502 330.626 -42.8269 -220.513 # jumping subtree containing (T0187)L107 jump= -0.369709 -0.688845 0.536622 -0.317562 112.2 -123.476 -477.873 # jumping subtree containing (T0187)L107 jump= 0.722552 0.346379 0.0872786 -0.59188 -26.3086 -47.1848 -6.69085 # jumping subtree containing (T0187)V69 jump= 0.181198 -0.929678 -0.270197 -0.172799 84.7764 97.7152 -480.171 # jumping subtree containing (T0187)E106 jump= -0.421576 0.476664 0.758814 -0.138806 -62.0395 -25.8486 -420.95 # jumping subtree containing (T0187)D82 jump= -0.283923 -0.163261 -0.879638 0.344921 267.694 -150.411 -292.832 # jumping subtree containing (T0187)L32 jump= -0.342315 0.237792 -0.773728 0.477096 353.122 -54.2527 -265.561 # jumping subtree containing (T0187)F23 jump= 0.657106 -0.209763 -0.41072 -0.596255 -4.75075 311.079 -189.032 # jumping subtree containing (T0187)H90 jump= 0.463682 -0.687101 -0.494531 -0.261401 23.1349 233.404 -422.879 # jumping subtree containing (T0187)V69 jump= -0.700035 -0.571212 -0.394936 0.166415 128.694 -248.319 -197.481 # jumping subtree containing (T0187)S6 jump= 0.856887 -0.262533 -0.0728666 -0.437621 26.0883 216.239 -29.8779 # jumping subtree containing (T0187)V69 jump= 0.977542 -0.178883 -0.110152 0.0167279 -48.9907 91.0113 -7.56425 # generation 178: best score out of 40: T0187.try1-al10-scwrl 68.6559 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 378 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1306 ## OptSubtree 2549 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.615968 -0.27762 -0.336147 -0.656137 44.5124 297.677 -168.34 # jumping subtree containing (T0187)A55 jump= -0.158362 0.80498 -0.541797 0.182714 173.819 119.149 -411.245 # jumping subtree containing (T0187)T145 jump= -0.696985 0.193266 0.0650678 0.687478 105.243 216.102 -56.4784 # jumping subtree containing (T0187)V69 jump= -0.157234 -0.277096 -0.664486 -0.675984 320.801 180.566 -286.073 # jumping subtree containing (T0187)L107 jump= 0.0355355 0.153021 0.292315 0.943331 275.01 198.055 -94.1666 # jumping subtree containing (T0187)T100 jump= 0.203724 -0.330221 0.432357 0.813952 52.8998 243.956 -105.93 # jumping subtree containing (T0187)T145 jump= 0.0560714 -0.245679 -0.604247 -0.755899 217.051 288.212 -287.27 # jumping subtree containing (T0187)T100 jump= 0.972035 0.200375 -0.113468 0.0460674 -36.4471 -85.8174 -40.6717 # Removing break before 68 # generation 179: best score out of 40: T0187.try1-al10-scwrl 68.6537 cost/residue, 214 clashes 0.107861 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 380 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1314 ## OptSubtree 2574 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.547134 0.0633603 -0.786845 -0.278396 -2.89373 133.026 -378.419 # Removing break before 31 # jumping subtree containing (T0187)T145 jump= 0.0545933 -0.507438 0.426896 -0.746516 327.356 -17.605 -263.542 # jumping subtree containing (T0187)L107 jump= 0.180892 -0.549432 0.786809 -0.215251 292.355 80.2524 -450.663 # jumping subtree containing (T0187)N36 jump= 0.922257 -0.0912386 0.195448 0.320807 98.2706 32.9854 10.0951 # jumping subtree containing (T0187)S6 jump= 0.470946 0.806194 0.304233 0.188954 141.349 -146.679 -439.18 # jumping subtree containing (T0187)L107 jump= 0.920114 -0.208342 0.283871 0.17147 120.097 92.5248 -2.99637 # jumping subtree containing (T0187)L149 jump= -0.989848 0.0732596 -0.0737814 -0.0969016 63.284 40.8482 -1.34933 # jumping subtree containing (T0187)L107 jump= -0.0837534 -0.844478 -0.0214103 0.528568 -190.888 8.17751 -327.786 # generation 180: best score out of 40: T0187.try1-al10-scwrl 68.6537 cost/residue, 214 clashes 0.107861 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 380 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2595 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.437512 -0.748754 -0.259337 -0.425082 134.369 274.53 -396.839 # jumping subtree containing (T0187)T100 jump= -0.00849803 0.910464 -0.00571572 0.413461 232.416 60.4344 -467.487 # jumping subtree containing (T0187)S6 jump= 0.860147 -0.14965 0.423957 0.240859 237.61 94.7108 -7.40021 # jumping subtree containing (T0187)L107 jump= 0.814392 0.471277 -0.162899 -0.296863 -102.705 -112.822 -135.566 # jumping subtree containing (T0187)P24 jump= -0.0771507 -0.74682 -0.0984128 0.653164 -161.982 -0.348511 -212.33 # Removing break before 68 # jumping subtree containing (T0187)M1 jump= 0.881185 -0.00707637 -0.457046 -0.120714 -143.908 38.1273 -174.309 # jumping subtree containing (T0187)T145 jump= 0.549523 -0.116376 -0.770343 0.301749 -129.97 -98.3342 -344.525 # jumping subtree containing (T0187)N36 jump= 0.988722 0.118534 0.00102406 -0.091534 -7.74936 -32.9859 -29.8314 # jumping subtree containing (T0187)S6 jump= 0.999999 0.000641999 -0.000777451 -0.000109605 0.155473 4.13063 -28.4879 # generation 181: best score out of 40: T0187.try1-al10-scwrl 68.6536 cost/residue, 214 clashes 0.107861 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 385 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2614 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= -0.343587 0.913738 0.189489 0.105473 43.2244 112.341 -434.775 # jumping subtree containing (T0187)L149 jump= -0.87809 0.109519 -0.280315 0.372004 167.492 70.3859 34.6468 # jumping subtree containing (T0187)M1 jump= 0.103526 -0.72833 0.425099 -0.52736 325.065 94.5634 -384.662 # jumping subtree containing (T0187)I141 jump= -0.446343 0.42658 -0.0326843 0.785964 250.128 207.069 -116.403 # jumping subtree containing (T0187)T100 jump= -0.998733 0.0311862 0.0296662 -0.0260695 2.22641 23.9167 -8.76959 # jumping subtree containing (T0187)T100 jump= -0.642715 0.197002 -0.512083 0.534676 283.773 2.44727 -64.8772 # jumping subtree containing (T0187)L149 jump= 0.675918 0.507704 0.0471157 0.532121 244.751 -181.667 -208.284 # jumping subtree containing (T0187)T145 jump= -0.982403 0.182903 0.00738182 -0.0370911 4.32338 99.3497 21.0949 # generation 182: best score out of 40: T0187.try1-al10-scwrl 68.6535 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 390 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2633 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= 0.601495 0.0570705 -0.759511 -0.241018 -129.659 114.366 -371.817 # jumping subtree containing (T0187)T100 jump= 0.888723 -0.305052 0.0532765 0.338047 22.0123 86.5109 -8.56623 # jumping subtree containing (T0187)F129 jump= -0.114186 0.44254 0.0611927 -0.887342 -62.3408 103.33 -21.973 # jumping subtree containing (T0187)T100 jump= -0.230801 -0.31254 -0.172858 -0.90508 302.601 63.1562 -135.894 # jumping subtree containing (T0187)L149 jump= 0.755002 -0.014772 0.566272 -0.330288 261.125 -25.9745 -72.6616 # generation 183: best score out of 40: T0187.try1-al10-scwrl 68.6535 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 393 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2654 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T97 jump= -0.682153 -0.7259 0.0849828 0.0226942 -7.71395 -188.438 -311.386 # jumping subtree containing (T0187)T97 jump= -0.328338 0.360967 -0.0412614 -0.871891 -19.4998 109.678 7.15462 # jumping subtree containing (T0187)V69 jump= 0.957473 -0.146564 0.184681 -0.166306 91.0653 93.2251 -2.44206 # jumping subtree containing (T0187)L107 jump= 0.728322 -0.360409 -0.48559 0.322266 -160.275 -13.5267 -183.677 # jumping subtree containing (T0187)L149 jump= 0.876633 -0.417509 -0.113513 -0.210512 -13.588 261.791 -107.434 # jumping subtree containing (T0187)T100 jump= -0.414165 -0.191112 0.864375 0.211662 -50.9697 103.415 -438.303 # jumping subtree containing (T0187)R39 jump= -0.696968 0.00966287 -0.692568 -0.185719 333.118 16.589 -157.334 # jumping subtree containing (T0187)P24 jump= 0.949285 0.164582 -0.214047 -0.161106 -129.069 -37.3135 -77.0559 # jumping subtree containing (T0187)T100 jump= 0.821281 0.0130891 -0.226468 0.523487 10.1199 -115.554 -47.783 # jumping subtree containing (T0187)L149 jump= 0.687775 -0.159579 0.188287 0.682677 140.661 89.8526 -2.9657 # jumping subtree containing (T0187)T100 jump= 0.123693 -0.734112 0.0556704 -0.665342 312.01 120.256 -321.74 # jumping subtree containing (T0187)K54 jump= 0.500326 0.413574 0.296416 0.700548 343.417 -57.834 -201.844 # jumping subtree containing (T0187)T71 jump= 0.415856 0.841745 0.339617 0.056482 114.418 -195.789 -423.475 # jumping subtree containing (T0187)L149 jump= 0.952514 -0.0871748 0.286561 -0.0547805 149.483 45.2064 18.8882 # jumping subtree containing (T0187)T145 jump= 0.985463 -0.164188 -0.0430591 0.0071995 -41.1325 93.4183 -23.694 # generation 184: best score out of 40: T0187.try1-al10-scwrl 68.6535 cost/residue, 214 clashes 0.107863 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 398 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2673 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F129 jump= -0.999891 0.000498073 0.0141392 0.00433175 15.2762 11.1039 4.72148 # jumping subtree containing (T0187)N36 jump= 0.461024 0.43491 0.107623 0.765981 313.346 -90.1617 -170.098 # jumping subtree containing (T0187)V69 jump= 0.856942 0.221572 0.0342452 -0.464095 -7.53713 -29.9058 -27.9136 # jumping subtree containing (T0187)F129 jump= 0.971871 0.148002 -0.141876 0.115902 -44.3309 -105.934 -83.7664 # jumping subtree containing (T0187)T71 jump= -0.795738 -0.213801 0.213326 0.524959 -84.566 52.2066 -64.2076 # jumping subtree containing (T0187)L149 jump= -0.998457 -0.0519577 0.0174503 0.00895084 -17.3047 -17.5327 15.1389 # jumping subtree containing (T0187)V15 jump= 0.972478 0.0886978 -0.123139 0.176792 -13.7065 -66.563 -43.5334 # jumping subtree containing (T0187)F129 jump= -0.996414 0.0432126 -0.0560538 -0.0463571 18.3505 39.287 17.4507 # Removing break before 60 # jumping subtree containing (T0187)T145 jump= 0.910213 -0.353803 0.185816 -0.10867 118.113 189.951 -22.2284 # jumping subtree containing (T0187)L32 jump= -0.699454 0.304729 -0.642503 0.0713709 331.866 126.436 -160.741 # jumping subtree containing (T0187)T97 jump= -0.637182 -0.766499 0.0646616 0.0479302 -25.2341 -195.567 -330.53 # jumping subtree containing (T0187)L149 jump= 0.931019 -0.300048 -0.00212822 -0.207776 7.28288 185.682 -59.5252 # generation 185: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 406 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2690 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N36 jump= 0.471658 -0.197202 -0.258749 -0.819573 126.86 268.482 -107.219 # jumping subtree containing (T0187)R103 jump= 0.694412 -0.56051 -0.322322 0.315799 -156.754 71.841 -188.052 # jumping subtree containing (T0187)T145 jump= 0.669376 -0.661003 -0.338557 -0.0197662 -115.108 235.581 -269.527 # jumping subtree containing (T0187)L149 jump= 0.880561 0.0827228 -0.336983 -0.322818 -146.871 86.2239 -145.96 # jumping subtree containing (T0187)V43 jump= 0.889781 -0.125104 -0.336718 0.281531 -105.384 -30.1793 -78.3443 # jumping subtree containing (T0187)T145 jump= 0.989936 0.039918 0.123538 -0.0563083 58.6933 -11.5513 37.1583 # jumping subtree containing (T0187)P24 jump= -0.560997 -0.809822 -0.00862132 -0.171455 98.6153 -194.572 -422.563 # jumping subtree containing (T0187)L149 jump= 0.0104956 0.677461 -0.726914 -0.111948 91.0887 155.065 -478.13 # jumping subtree containing (T0187)T97 jump= -0.575495 -0.628414 -0.500533 0.152866 129.783 -235.452 -299.421 # jumping subtree containing (T0187)T100 jump= -0.573849 0.630001 -0.314896 0.417896 239.094 213.562 -242.854 # jumping subtree containing (T0187)V136 jump= -0.894252 0.177155 0.410492 0.0206533 -163.321 77.5451 -146.117 # jumping subtree containing (T0187)L149 jump= 0.997663 0.061625 -0.00745828 0.0285437 -17.4092 -32.1781 -25.6211 # generation 186: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 412 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2708 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E87 jump= -0.384453 0.597604 -0.684923 -0.161077 209.678 244.451 -383.426 # jumping subtree containing (T0187)V15 jump= 0.176322 0.243587 0.637282 0.709541 314.737 199.808 -281.254 # jumping subtree containing (T0187)V15 jump= 0.635119 0.470434 -0.554789 0.259854 7.18253 -200.622 -403.806 # Removing break before 60 # jumping subtree containing (T0187)L149 jump= -0.956614 -0.0651434 0.125871 0.254565 -68.9544 32.25 -44.0017 # jumping subtree containing (T0187)L149 jump= -0.115189 0.777616 -0.159161 -0.597255 -154.581 170.998 -249.069 # jumping subtree containing (T0187)L107 jump= 0.558585 0.756046 0.275301 -0.201461 -2.49927 -187.089 -302.595 # jumping subtree containing (T0187)S6 jump= -0.879902 0.0456199 0.0631282 0.468729 -17.0405 157.444 -15.0511 # jumping subtree containing (T0187)T100 jump= -0.960422 -0.245442 -0.0418683 -0.124878 34.7578 -112.795 -66.3545 # jumping subtree containing (T0187)L32 jump= 0.53947 0.684868 -0.474079 0.123195 -3.44497 -150.769 -435.094 # jumping subtree containing (T0187)E87 jump= 0.664952 0.286779 -0.525766 -0.446281 -159.049 109.217 -243.052 # generation 187: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 417 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2727 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T100 jump= -0.388536 -0.541322 0.722996 -0.182445 49.4111 -85.7835 -443.168 # jumping subtree containing (T0187)L42 jump= 0.991509 0.0114762 -0.0323655 0.12542 -11.1602 -10.6512 -15.7919 # jumping subtree containing (T0187)K54 jump= -0.749638 0.548607 -0.349635 0.121774 222.859 261.508 -150.018 # jumping subtree containing (T0187)L121 jump= 0.795754 -0.158224 -0.00424321 0.584571 45.2448 16.2568 29.1111 # jumping subtree containing (T0187)E95 jump= -0.334499 -0.426698 -0.712616 -0.445217 328.749 28.1673 -366.38 # jumping subtree containing (T0187)T100 jump= -0.790828 -0.601747 0.0939007 0.0606237 -44.3228 -177.555 -188.867 # jumping subtree containing (T0187)L32 jump= -0.960837 0.0391258 0.274208 0.00838914 -137.142 36.4521 -78.2505 # jumping subtree containing (T0187)E87 jump= 0.853872 -0.415438 0.2541 0.183703 105.368 203.376 -32.1872 # jumping subtree containing (T0187)V15 jump= 0.538085 0.688019 -0.451071 -0.183384 -126.913 -30.2099 -425.868 # jumping subtree containing (T0187)E106 jump= -0.255689 -0.819884 0.386529 0.336169 -136.89 68.0203 -380.432 # jumping subtree containing (T0187)V43 jump= 0.0452903 0.92389 0.372506 -0.0749403 -1.03852 -32.2855 -482.54 # jumping subtree containing (T0187)F129 jump= -0.539152 0.440931 -0.294584 0.654306 317.577 176.945 -147.026 # jumping subtree containing (T0187)V69 jump= -0.781919 -0.590804 -0.0223373 0.197622 -65.9649 -189.923 -160.227 # Removing break before 120 # generation 188: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 426 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2742 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F129 jump= 0.999596 0.0091412 0.000189005 -0.0268944 -12.8846 5.71803 -0.276114 # jumping subtree containing (T0187)T100 jump= -0.579554 0.425058 0.634688 -0.283927 -171.449 -40.0955 -289.55 # jumping subtree containing (T0187)L32 jump= -0.455733 -0.55264 -0.507507 -0.478887 347.189 -77.7764 -324.124 # Removing break before 120 # jumping subtree containing (T0187)T100 jump= -0.996484 0.0171594 0.0183397 -0.0799301 -2.82879 25.0014 -7.20474 # jumping subtree containing (T0187)V43 jump= -0.983766 0.133137 0.0926493 0.0767858 -67.7631 92.5231 -27.7435 # jumping subtree containing (T0187)L149 jump= -0.182495 -0.0171204 -0.185824 -0.965335 200.191 147.317 -12.875 # jumping subtree containing (T0187)V43 jump= 0.843944 -0.102305 0.522275 0.0672431 291.616 51.671 -56.4051 # jumping subtree containing (T0187)L149 jump= 0.988424 -0.105641 -0.0767785 -0.0772206 -37.5214 67.6764 -37.0219 # jumping subtree containing (T0187)L149 jump= 0.898504 -0.0298764 -0.37363 0.22847 -132.247 -37.2171 -130.613 # generation 189: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 435 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2757 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= -0.0680793 -0.606375 -0.57897 0.540803 -73.4407 -196.331 -285.6 # jumping subtree containing (T0187)L149 jump= 0.670049 -0.341598 0.116002 0.64876 33.3587 149.902 -2.36124 # jumping subtree containing (T0187)K54 jump= -0.18604 -0.385573 0.118526 -0.895921 308.825 -45.0988 -163.595 # jumping subtree containing (T0187)T100 jump= -0.730349 0.426773 -0.183426 0.500809 178.165 203.291 -99.8972 # jumping subtree containing (T0187)L149 jump= -0.857226 0.239416 0.339482 -0.304295 -121.258 -20.5429 -107.495 # jumping subtree containing (T0187)H90 jump= -0.913916 -0.0931976 0.348206 0.186612 -137.284 32.7032 -144.756 # jumping subtree containing (T0187)L149 jump= -1 0.000533543 2.65602e-05 -0.000255193 -6.85507 1.76083 -13.076 # jumping subtree containing (T0187)L107 jump= -0.766607 -0.0516366 0.473207 0.430955 -117.123 166.571 -186.3 # jumping subtree containing (T0187)T100 jump= -0.154145 -0.960962 0.20282 -0.107957 64.6992 -21.7254 -503.231 # jumping subtree containing (T0187)F129 jump= -0.955352 0.0993861 -0.0701675 -0.269259 50.5232 46.8793 17.7514 # jumping subtree containing (T0187)R103 jump= -0.193428 -0.325932 0.479202 0.791656 -10.5149 264.513 -151.072 # generation 190: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 438 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2778 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K54 jump= 0.050416 0.83958 -0.254798 0.477117 276.973 16.061 -464.128 # jumping subtree containing (T0187)T145 jump= 0.629558 0.607263 0.414925 -0.250453 60.0637 -231.733 -232.165 # jumping subtree containing (T0187)V15 jump= 0.463839 -0.110671 -0.181141 -0.860112 127.575 250.048 -49.2505 # jumping subtree containing (T0187)G61 jump= 0.977568 -0.137801 0.141057 0.0739893 73.7814 57.9403 -3.94766 # jumping subtree containing (T0187)F129 jump= -0.337648 -0.911354 0.216086 -0.0934575 57.9727 -41.0112 -513.289 # Removing break before 68 # jumping subtree containing (T0187)H90 jump= 0.505651 0.686367 -0.491176 -0.178785 -141.058 -36.8834 -400.76 # jumping subtree containing (T0187)G61 jump= 0.00483323 0.395793 -0.890521 0.224268 206.499 -10.7798 -486.652 # jumping subtree containing (T0187)V69 jump= -0.872039 -0.115467 0.334809 0.337814 -129.192 93.4029 -97.474 # jumping subtree containing (T0187)T100 jump= 0.858227 0.146625 -0.0779122 0.485672 77.6232 -110.788 -35.9592 # generation 191: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 444 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2796 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V43 jump= -0.704329 0.208501 -0.556353 -0.388484 294.15 163.48 -107.809 # jumping subtree containing (T0187)L149 jump= -0.51116 0.808337 0.121169 -0.265753 -124.806 196.14 -291.829 # jumping subtree containing (T0187)V69 jump= -0.967997 0.0655346 -0.241491 0.0192303 112.133 15.2769 10.38 # jumping subtree containing (T0187)M1 jump= -0.148344 0.590725 -0.525082 0.594413 351.507 16.7728 -312.599 # jumping subtree containing (T0187)K54 jump= -0.971813 0.031326 0.0465473 -0.228978 -0.427462 -39.8645 13.6179 # jumping subtree containing (T0187)E106 jump= 0.73129 -0.548109 -0.40191 0.0570848 -157.942 143.377 -248.146 # jumping subtree containing (T0187)L149 jump= -0.86688 -0.485179 0.112085 -0.0236058 -47.8774 -171.994 -183.044 # jumping subtree containing (T0187)L148 jump= -0.360066 -0.189399 -0.358008 0.840423 125.887 -91.075 -22.8827 # jumping subtree containing (T0187)E87 jump= -0.999211 0.00367429 -0.0268049 0.0290786 41.0523 3.5989 -4.30704 # jumping subtree containing (T0187)L42 jump= -0.902996 -0.297957 0.29193 -0.102941 -91.7236 -163.417 -150.029 # jumping subtree containing (T0187)V15 jump= 0.172761 -0.383739 -0.439206 -0.793723 234.217 290.711 -274.713 # generation 192: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 449 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2815 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= -0.0400287 -0.296783 0.875423 -0.379409 231.123 -107.367 -420.43 # jumping subtree containing (T0187)H90 jump= -0.985021 0.0700806 -0.156651 -0.0168437 84.3963 26.1183 0.647719 # jumping subtree containing (T0187)L121 jump= -0.999668 -0.0228578 0.00641626 -0.0100239 -14.6745 -10.267 -7.94746 # jumping subtree containing (T0187)L149 jump= -0.840846 -0.325527 0.422682 0.0913767 -150.033 -61.0181 -249.24 # jumping subtree containing (T0187)N36 jump= 0.985987 -0.1283 -0.0772739 -0.073469 -41.2804 68.5793 -12.1265 # jumping subtree containing (T0187)V43 jump= -0.993035 -0.0687803 -0.0602619 0.0742944 31.1645 -3.65498 -11.8131 # jumping subtree containing (T0187)N36 jump= 0.9953 0.0052417 -0.0964079 0.00747246 -37.7184 -28.1178 -29.9403 # jumping subtree containing (T0187)L149 jump= -0.915594 0.000775529 0.332855 -0.225597 -108.205 -76.1521 -125.902 # jumping subtree containing (T0187)L149 jump= 0.995308 -0.0190473 0.0466597 0.0826 42.6331 21.7845 19.094 # jumping subtree containing (T0187)E106 jump= -0.938418 0.291356 -0.000306662 0.185698 33.8853 158.887 -20.5728 # jumping subtree containing (T0187)N36 jump= 0.999978 0.00633588 -0.000905693 -0.00199277 6.69769 -25.7967 3.27362 # jumping subtree containing (T0187)M1 jump= -0.320496 -0.792889 0.464178 -0.230538 89.9299 -48.1379 -511.257 # jumping subtree containing (T0187)N36 jump= 0.47093 -0.150938 -0.832043 0.251291 -65.4043 -101.679 -404.176 # jumping subtree containing (T0187)K54 jump= -0.960351 -0.0248188 0.141758 -0.238776 -20.1429 -51.3641 -44.221 # generation 193: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 454 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2834 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L149 jump= 0.21827 0.737048 -0.250939 0.588343 276.143 -81.7527 -379.056 # jumping subtree containing (T0187)I141 jump= -0.812357 0.126787 0.516217 -0.239837 -179.019 -43.6384 -178.402 # jumping subtree containing (T0187)L149 jump= -0.961475 -0.0166415 0.231072 -0.147972 -67.4901 -35.4397 -56.8705 # jumping subtree containing (T0187)L149 jump= 0.830857 -0.0125284 0.556263 -0.00954643 290.175 -5.72475 -98.5477 # jumping subtree containing (T0187)T100 jump= 0.387398 0.440142 0.508038 -0.630948 29.0202 -199.227 -134.269 # jumping subtree containing (T0187)E87 jump= 0.474395 0.0168833 0.468303 -0.745222 214.188 -118.839 -40.9016 # generation 194: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 463 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2849 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 60 # jumping subtree containing (T0187)L121 jump= -0.958697 -0.113086 -0.0422073 -0.257547 55.8778 -68.7849 -15.822 # jumping subtree containing (T0187)L149 jump= 0.994492 -0.0194859 0.062743 0.0816643 35.2706 -29.3936 8.46506 # jumping subtree containing (T0187)E87 jump= 0.999962 -0.00299693 -0.0082421 -0.000160137 -3.53971 -3.01377 -19.8192 # jumping subtree containing (T0187)G61 jump= -0.160126 0.950892 -0.0942189 0.247561 146.994 145.386 -472.885 # jumping subtree containing (T0187)L149 jump= 0.721974 -0.0413459 -0.418141 0.549729 -67.3454 -149.842 -133.901 # jumping subtree containing (T0187)L149 jump= -0.780255 -0.594213 -0.0636605 -0.184555 114.688 -245.494 -219.876 # jumping subtree containing (T0187)H90 jump= -0.424117 0.145842 -0.891713 -0.0608529 345.966 64.2691 -365.582 # jumping subtree containing (T0187)L107 jump= -0.960008 0.201033 -0.00796993 -0.194697 13.4391 61.7188 17.1471 # jumping subtree containing (T0187)G61 jump= 0.989639 0.021048 0.00686736 -0.141862 7.27154 -7.1753 1.98634 # jumping subtree containing (T0187)L149 jump= 0.353719 -0.740125 -0.209409 0.532209 -174.512 89.4412 -217.438 # generation 195: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 469 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2867 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V69 jump= -0.199404 -0.141443 0.0309593 -0.969161 263.757 -33.4452 -54.4594 # jumping subtree containing (T0187)L149 jump= 0.595885 -0.214223 0.304552 0.711532 158.039 180.866 -19.6575 # jumping subtree containing (T0187)T97 jump= 0.702674 0.582387 0.337413 0.23071 183.355 -207.836 -235.858 # jumping subtree containing (T0187)L149 jump= 0.786085 0.460956 -0.375213 -0.16972 -155.486 -69.5499 -241.4 # jumping subtree containing (T0187)L149 jump= -0.873697 -0.187213 -0.42291 -0.150835 246.009 -81.4468 -65.2634 # jumping subtree containing (T0187)V69 jump= 0.875472 0.0433324 0.476398 0.0686672 262.049 -38.9489 -31.015 # Removing break before 120 # jumping subtree containing (T0187)T100 jump= 0.384651 -0.787383 -0.398299 -0.270979 36.0693 190.201 -419.354 # jumping subtree containing (T0187)I141 jump= -0.378835 -0.327511 0.829629 -0.246854 43.2887 -141.105 -479.299 # generation 196: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 475 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2885 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V43 jump= 0.772913 -0.173285 -0.315438 -0.522567 -37.341 245.623 -138.869 # jumping subtree containing (T0187)L37 jump= 0.678987 0.540767 0.429145 -0.249767 132.873 -230.697 -172.621 # Removing break before 120 # jumping subtree containing (T0187)L149 jump= -0.0458308 -0.727351 0.684733 0.000739156 92.3654 106.033 -504.74 # jumping subtree containing (T0187)L121 jump= -0.661271 0.593846 0.308597 -0.338874 -163.176 127.356 -174.109 # jumping subtree containing (T0187)M1 jump= 0.999632 -0.0257656 -0.00480747 0.00703321 10.5876 -1.36967 10.2094 # jumping subtree containing (T0187)V43 jump= 0.999913 -0.00870852 -0.00130575 0.00982481 -22.8552 7.33029 17.2218 # jumping subtree containing (T0187)E87 jump= 0.607706 0.708124 -0.245786 -0.262379 -173.729 -104.803 -326.4 # jumping subtree containing (T0187)R103 jump= -0.967472 0.210765 0.0506753 0.130415 -19.9363 104.781 -13.9137 # jumping subtree containing (T0187)L149 jump= 0.361557 0.714016 -0.284683 0.527648 234.516 -156.37 -407.957 # jumping subtree containing (T0187)V43 jump= 0.89022 -0.185135 -0.290097 0.298457 -129.721 -7.49559 -64.6207 # generation 197: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 480 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2904 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P24 jump= 0.458319 -0.439434 -0.771042 0.0483275 -88.0182 18.1866 -446.816 # jumping subtree containing (T0187)I141 jump= 0.884027 -0.318875 -0.334398 0.0706643 -164.011 129.759 -124.787 # jumping subtree containing (T0187)L149 jump= 0.679194 -0.551339 -0.463312 -0.141647 -122.031 219.527 -302.809 # jumping subtree containing (T0187)L149 jump= -0.852464 0.255378 0.392747 -0.232028 -179.182 29.5051 -118.085 # jumping subtree containing (T0187)H90 jump= 0.942917 -0.123305 -0.306236 -0.0438471 -124.366 50.8325 -97.1467 # jumping subtree containing (T0187)L149 jump= -0.0580066 -0.285477 0.183431 0.938878 -3.04119 172.945 -14.3172 # jumping subtree containing (T0187)L107 jump= -0.91016 0.0312488 -0.339343 0.23554 171.449 15.2092 14.1046 # jumping subtree containing (T0187)L149 jump= 0.947305 -0.0787298 0.0344691 -0.308587 19.1537 73.3555 5.15574 # jumping subtree containing (T0187)L148 jump= -0.982258 0.00205239 0.154597 0.106132 -52.841 30.3441 -35.5372 # jumping subtree containing (T0187)S6 jump= 0.911101 0.308671 -0.126922 -0.241885 -87.1577 -53.8113 -97.428 # generation 198: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 490 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2918 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L107 jump= 0.564638 0.695076 0.296462 -0.33191 -24.8942 -220.312 -241.157 # jumping subtree containing (T0187)L149 jump= 0.992773 0.0626203 0.0991529 -0.025487 45.9299 -57.5523 10.7989 # jumping subtree containing (T0187)H90 jump= -0.78129 0.137926 0.0514162 -0.606563 14.9992 -31.7751 4.77356 # jumping subtree containing (T0187)V43 jump= 0.757524 0.172192 -0.31259 -0.546621 -119.334 128.546 -115.748 # jumping subtree containing (T0187)T100 jump= 0.683036 -0.175795 -0.585678 0.399424 -140.748 -93.9415 -216.614 # jumping subtree containing (T0187)L149 jump= 0.512932 0.361044 0.778451 0.0237026 285.762 -132.092 -347.416 # jumping subtree containing (T0187)L149 jump= -0.623921 -0.752526 0.101975 -0.184464 50.4268 -211.521 -341.992 # jumping subtree containing (T0187)L32 jump= 0.143968 -0.373368 -0.870984 0.285055 25.0646 -157.257 -418.259 # jumping subtree containing (T0187)A55 jump= -0.042954 0.739679 -0.00407527 -0.671575 -179.146 74.076 -186.749 # jumping subtree containing (T0187)P24 jump= -0.122104 0.600033 0.368758 0.699334 291.272 211.669 -350.808 # Removing break before 68 # jumping subtree containing (T0187)L149 jump= 0.771277 0.177288 -0.490453 -0.364905 -164.994 115.308 -216.04 # jumping subtree containing (T0187)L149 jump= -0.306999 0.174152 -0.0797262 0.932237 221.468 136.366 -36.6273 # jumping subtree containing (T0187)A55 jump= -0.800641 0.26717 0.531088 0.0744262 -157.71 120.345 -242.529 # generation 199: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 495 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2937 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I141 jump= -0.771048 -0.373796 -0.51476 -0.0280056 220.589 -167.023 -199.969 # jumping subtree containing (T0187)M1 jump= -0.912962 -0.120492 -0.180713 -0.345434 174.781 -84.7368 -15.4557 # jumping subtree containing (T0187)L149 jump= 0.965927 -0.133729 0.17552 0.135259 81.0851 72.5783 33.6037 # jumping subtree containing (T0187)N36 jump= 0.148982 -0.566272 -0.279666 0.760873 -99.0773 -70.57 -98.0622 # jumping subtree containing (T0187)H90 jump= -0.843055 -0.211459 0.08616 -0.486949 64.4917 -180.918 -79.7383 # jumping subtree containing (T0187)P93 jump= 0.85229 0.0511388 0.510522 0.101752 285.793 -13.2348 -75.0306 # jumping subtree containing (T0187)V15 jump= -0.89214 0.230661 0.0359999 -0.386762 -16.2613 46.9475 24.0109 # jumping subtree containing (T0187)N36 jump= -0.641361 0.30857 0.51646 0.476141 -34.7925 277.61 -268.799 # jumping subtree containing (T0187)E106 jump= 0.844747 0.0265735 -0.53355 0.0319534 -142.501 -7.98088 -204.771 # generation 200: best score out of 40: T0187.try1-al10-scwrl 68.6532 cost/residue, 214 clashes 0.107862 breaks # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 17 ## InsertFragment 67 ## TwoFragment 11 ## CrossOver 505 ## CrossAndInsert 15 ## ReduceClash 78 ## OneRotamer 0 ## ClashingRotamer 22 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 1318 ## OptSubtree 2951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # command:# naming current conformation T0187.try1-opt # command:# command:# request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_1601521558.pdb -s /projects/compbio/tmp/to_scwrl_1601521558.seq -o /projects/compbio/tmp/from_scwrl_1601521558.pdb -a /projects/compbio/tmp/from_scwrl_1601521558_a.pdb -b /projects/compbio/tmp/from_scwrl_1601521558_b.pdb > /projects/compbio/tmp/scwrl_1601521558.log # conformation set from SCWRL output # command:# naming current conformation T0187.try1-opt-scwrl # command:# command:# CostConform T0187.try1-opt-scwrl costs 68.9165 T0187.try1-opt costs 68.6572 T0187.try1 costs 81.1949 T0187.try1-al10 costs 81.1949 T0187.try1-al10 costs 81.1949 T0187.try1-al8 costs 81.1949 T0187.try1-al8 costs 81.1949 T0187.try1-al6+T0187-2pgi-simpleSW-adpstyle1.pw.a2m.gz:2pgi costs 81.1949 T0187.try1-al6 costs 84.6729 T0187.try1-al4+1lk5A-T0187-vit-adpstyle5.pw.a2m.gz:1lk5A costs 84.6729 T0187.try1-al4 costs 85.2587 T0187.try1-al2+T0187-1lk5A-simpleSW-adpstyle1.pw.a2m.gz:1lk5A costs 85.2587 T0187.try1-al2 costs 87.4542 T0187.rand+1qmgA-T0187-fssp-global-adpstyle1.pw.a2m.gz:1qmgA costs 96.7974 T0187.rand costs 149.852 # command:CPU_time= 145008 msec, elapsed time= 1.32621e+07 msec) # command: